USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=29 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 71 GLN : amide:sc= 0.845 X(o=1.8,f=2.2) USER MOD Set 1.2: B 190 TYR OH : rot 99:sc= 0.987 USER MOD Single : A 1 ILE N :NH3+ -151:sc= -0.215 (180deg=-0.565) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -0.636 F(o=-2.1,f=-0.64) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -74:sc= -1.72! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -35:sc= 0.961 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 24 TYR OH : rot 13:sc= 0.155 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -168:sc= -0.949 (180deg=-1.63!) 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 38 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0219) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 50 SER OG : rot 170:sc= 0.182 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= -1.9 (180deg=-2.83!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -58:sc= 1.18 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.88 K(o=-2.9,f=-3.6!) USER MOD Single : A 68 HIS : no HE2:sc= -0.0919 K(o=-0.092,f=-2.9!) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 0.138 (180deg=0.104) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.313) USER MOD Single : B 186 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.03) USER MOD Single : B 189 TYR OH : rot 180:sc= 0 USER MOD Single : B 191 THR OG1 : rot -54:sc= 0.876 USER MOD Single : B 196 THR OG1 : rot 180:sc= -1.07 USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.928 17.596 -4.621 1.00 0.00 N ATOM 2 CA ILE A 1 -2.533 16.165 -4.609 1.00 0.00 C ATOM 3 C ILE A 1 -3.497 15.336 -3.769 1.00 0.00 C ATOM 4 O ILE A 1 -3.902 15.748 -2.683 1.00 0.00 O ATOM 5 CB ILE A 1 -1.107 15.979 -4.054 1.00 0.00 C ATOM 6 CG1 ILE A 1 -0.157 17.012 -4.664 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.614 14.567 -4.331 1.00 0.00 C ATOM 8 CD1 ILE A 1 -0.089 16.957 -6.174 1.00 0.00 C ATOM 0 H1 ILE A 1 -2.619 18.034 -5.512 1.00 0.00 H new ATOM 0 H2 ILE A 1 -3.962 17.671 -4.538 1.00 0.00 H new ATOM 0 H3 ILE A 1 -2.480 18.087 -3.821 1.00 0.00 H new ATOM 0 HA ILE A 1 -2.563 15.822 -5.643 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.130 16.131 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -0.474 18.009 -4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 1 0.843 16.858 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 1 0.394 14.449 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.279 13.849 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.603 14.390 -5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 1 0.604 17.717 -6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 1 0.258 15.972 -6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -1.080 17.142 -6.590 1.00 0.00 H new ATOM 22 N VAL A 2 -3.857 14.162 -4.278 1.00 0.00 N ATOM 23 CA VAL A 2 -4.771 13.273 -3.572 1.00 0.00 C ATOM 24 C VAL A 2 -4.280 11.831 -3.625 1.00 0.00 C ATOM 25 O VAL A 2 -3.338 11.516 -4.352 1.00 0.00 O ATOM 26 CB VAL A 2 -6.192 13.343 -4.158 1.00 0.00 C ATOM 27 CG1 VAL A 2 -6.783 14.730 -3.957 1.00 0.00 C ATOM 28 CG2 VAL A 2 -6.180 12.968 -5.632 1.00 0.00 C ATOM 0 H VAL A 2 -3.530 13.805 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.801 13.608 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.820 12.626 -3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.788 14.762 -4.377 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.828 14.955 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.157 15.468 -4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.193 13.023 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.538 13.659 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.800 11.953 -5.746 1.00 0.00 H new ATOM 38 N CYS A 3 -4.911 10.958 -2.844 1.00 0.00 N ATOM 39 CA CYS A 3 -4.511 9.556 -2.814 1.00 0.00 C ATOM 40 C CYS A 3 -5.613 8.655 -2.261 1.00 0.00 C ATOM 41 O CYS A 3 -5.798 8.562 -1.048 1.00 0.00 O ATOM 42 CB CYS A 3 -3.249 9.403 -1.968 1.00 0.00 C ATOM 43 SG CYS A 3 -2.221 7.967 -2.416 1.00 0.00 S ATOM 0 H CYS A 3 -5.692 11.193 -2.231 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.317 9.245 -3.841 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.650 10.309 -2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.536 9.318 -0.920 1.00 0.00 H new ATOM 48 N HIS A 4 -6.334 7.986 -3.166 1.00 0.00 N ATOM 49 CA HIS A 4 -7.419 7.071 -2.791 1.00 0.00 C ATOM 50 C HIS A 4 -7.094 6.316 -1.505 1.00 0.00 C ATOM 51 O HIS A 4 -6.099 5.596 -1.431 1.00 0.00 O ATOM 52 CB HIS A 4 -7.683 6.063 -3.915 1.00 0.00 C ATOM 53 CG HIS A 4 -7.640 6.655 -5.290 1.00 0.00 C ATOM 54 ND1 HIS A 4 -8.004 7.879 -5.742 1.00 0.00 N flip ATOM 55 CD2 HIS A 4 -7.186 5.963 -6.394 1.00 0.00 C flip ATOM 56 CE1 HIS A 4 -7.763 7.903 -7.094 1.00 0.00 C flip ATOM 57 NE2 HIS A 4 -7.270 6.735 -7.463 1.00 0.00 N flip ATOM 0 H HIS A 4 -6.185 8.062 -4.172 1.00 0.00 H new ATOM 0 HA HIS A 4 -8.310 7.676 -2.624 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -6.945 5.263 -3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -8.661 5.607 -3.758 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.819 4.947 -6.386 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.947 8.742 -7.749 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.000 6.473 -8.411 1.00 0.00 H new ATOM 66 N THR A 5 -7.938 6.488 -0.496 1.00 0.00 N ATOM 67 CA THR A 5 -7.739 5.822 0.787 1.00 0.00 C ATOM 68 C THR A 5 -8.317 4.410 0.765 1.00 0.00 C ATOM 69 O THR A 5 -9.524 4.219 0.921 1.00 0.00 O ATOM 70 CB THR A 5 -8.377 6.634 1.918 1.00 0.00 C ATOM 71 OG1 THR A 5 -8.503 5.849 3.090 1.00 0.00 O ATOM 72 CG2 THR A 5 -9.751 7.170 1.577 1.00 0.00 C ATOM 0 H THR A 5 -8.766 7.082 -0.540 1.00 0.00 H new ATOM 0 HA THR A 5 -6.666 5.751 0.966 1.00 0.00 H new ATOM 0 HB THR A 5 -7.706 7.479 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.911 6.386 3.801 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.142 7.735 2.424 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.681 7.823 0.707 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.421 6.339 1.355 1.00 0.00 H new ATOM 80 N THR A 6 -7.442 3.424 0.573 1.00 0.00 N ATOM 81 CA THR A 6 -7.839 2.016 0.531 1.00 0.00 C ATOM 82 C THR A 6 -8.394 1.638 -0.844 1.00 0.00 C ATOM 83 O THR A 6 -7.929 0.682 -1.466 1.00 0.00 O ATOM 84 CB THR A 6 -8.852 1.703 1.651 1.00 0.00 C ATOM 85 OG1 THR A 6 -8.439 0.568 2.390 1.00 0.00 O ATOM 86 CG2 THR A 6 -10.268 1.438 1.172 1.00 0.00 C ATOM 0 H THR A 6 -6.442 3.577 0.443 1.00 0.00 H new ATOM 0 HA THR A 6 -6.951 1.408 0.702 1.00 0.00 H new ATOM 0 HB THR A 6 -8.870 2.607 2.259 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.091 0.383 3.098 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.908 1.228 2.029 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.644 2.315 0.645 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.270 0.581 0.498 1.00 0.00 H new ATOM 94 N ALA A 7 -9.389 2.385 -1.312 1.00 0.00 N ATOM 95 CA ALA A 7 -10.002 2.116 -2.607 1.00 0.00 C ATOM 96 C ALA A 7 -10.586 0.702 -2.651 1.00 0.00 C ATOM 97 O ALA A 7 -11.706 0.482 -2.196 1.00 0.00 O ATOM 98 CB ALA A 7 -8.991 2.331 -3.727 1.00 0.00 C ATOM 0 H ALA A 7 -9.787 3.181 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.824 2.816 -2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.463 2.126 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.640 3.363 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.145 1.658 -3.588 1.00 0.00 H new ATOM 104 N THR A 8 -9.820 -0.251 -3.192 1.00 0.00 N ATOM 105 CA THR A 8 -10.263 -1.641 -3.285 1.00 0.00 C ATOM 106 C THR A 8 -11.513 -1.771 -4.156 1.00 0.00 C ATOM 107 O THR A 8 -11.459 -2.327 -5.253 1.00 0.00 O ATOM 108 CB THR A 8 -10.527 -2.214 -1.889 1.00 0.00 C ATOM 109 OG1 THR A 8 -11.795 -1.814 -1.404 1.00 0.00 O ATOM 110 CG2 THR A 8 -9.494 -1.794 -0.864 1.00 0.00 C ATOM 0 H THR A 8 -8.889 -0.082 -3.572 1.00 0.00 H new ATOM 0 HA THR A 8 -9.464 -2.213 -3.756 1.00 0.00 H new ATOM 0 HB THR A 8 -10.479 -3.296 -2.014 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.763 -0.870 -1.144 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.740 -2.234 0.102 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.509 -2.138 -1.179 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.489 -0.707 -0.777 1.00 0.00 H new ATOM 118 N SER A 9 -12.634 -1.254 -3.664 1.00 0.00 N ATOM 119 CA SER A 9 -13.893 -1.311 -4.399 1.00 0.00 C ATOM 120 C SER A 9 -14.628 0.029 -4.332 1.00 0.00 C ATOM 121 O SER A 9 -14.772 0.711 -5.347 1.00 0.00 O ATOM 122 CB SER A 9 -14.782 -2.434 -3.858 1.00 0.00 C ATOM 123 OG SER A 9 -14.857 -3.510 -4.775 1.00 0.00 O ATOM 0 H SER A 9 -12.697 -0.790 -2.758 1.00 0.00 H new ATOM 0 HA SER A 9 -13.663 -1.521 -5.444 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.386 -2.790 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.782 -2.048 -3.662 1.00 0.00 H new ATOM 0 HG SER A 9 -15.429 -4.215 -4.406 1.00 0.00 H new ATOM 129 N PRO A 10 -15.107 0.436 -3.137 1.00 0.00 N ATOM 130 CA PRO A 10 -15.821 1.705 -2.975 1.00 0.00 C ATOM 131 C PRO A 10 -14.857 2.901 -2.949 1.00 0.00 C ATOM 132 O PRO A 10 -14.078 3.082 -3.885 1.00 0.00 O ATOM 133 CB PRO A 10 -16.542 1.507 -1.640 1.00 0.00 C ATOM 134 CG PRO A 10 -15.621 0.641 -0.857 1.00 0.00 C ATOM 135 CD PRO A 10 -14.990 -0.295 -1.854 1.00 0.00 C ATOM 0 HA PRO A 10 -16.500 1.934 -3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -16.719 2.458 -1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -17.514 1.033 -1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.864 1.236 -0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -16.162 0.088 -0.090 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.950 -0.505 -1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.509 -1.253 -1.889 1.00 0.00 H new ATOM 143 N ILE A 11 -14.900 3.714 -1.891 1.00 0.00 N ATOM 144 CA ILE A 11 -14.019 4.873 -1.787 1.00 0.00 C ATOM 145 C ILE A 11 -14.270 5.638 -0.490 1.00 0.00 C ATOM 146 O ILE A 11 -15.340 5.530 0.109 1.00 0.00 O ATOM 147 CB ILE A 11 -14.203 5.830 -2.983 1.00 0.00 C ATOM 148 CG1 ILE A 11 -13.222 7.001 -2.886 1.00 0.00 C ATOM 149 CG2 ILE A 11 -15.637 6.335 -3.046 1.00 0.00 C ATOM 150 CD1 ILE A 11 -13.159 7.843 -4.142 1.00 0.00 C ATOM 0 H ILE A 11 -15.532 3.590 -1.100 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.996 4.496 -1.791 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.993 5.281 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.508 7.635 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -12.227 6.614 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.748 7.009 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -16.316 5.490 -3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.876 6.869 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.444 8.654 -4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.843 7.222 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.144 8.260 -4.350 1.00 0.00 H new ATOM 162 N SER A 12 -13.277 6.412 -0.063 1.00 0.00 N ATOM 163 CA SER A 12 -13.393 7.196 1.161 1.00 0.00 C ATOM 164 C SER A 12 -12.835 8.602 0.962 1.00 0.00 C ATOM 165 O SER A 12 -12.505 8.998 -0.156 1.00 0.00 O ATOM 166 CB SER A 12 -12.667 6.496 2.312 1.00 0.00 C ATOM 167 OG SER A 12 -13.574 5.759 3.113 1.00 0.00 O ATOM 0 H SER A 12 -12.384 6.513 -0.546 1.00 0.00 H new ATOM 0 HA SER A 12 -14.450 7.281 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.904 5.828 1.912 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.153 7.236 2.926 1.00 0.00 H new ATOM 0 HG SER A 12 -13.086 5.320 3.840 1.00 0.00 H new ATOM 173 N ALA A 13 -12.741 9.356 2.052 1.00 0.00 N ATOM 174 CA ALA A 13 -12.232 10.722 2.000 1.00 0.00 C ATOM 175 C ALA A 13 -10.797 10.772 1.479 1.00 0.00 C ATOM 176 O ALA A 13 -9.843 10.674 2.250 1.00 0.00 O ATOM 177 CB ALA A 13 -12.315 11.364 3.378 1.00 0.00 C ATOM 0 H ALA A 13 -13.011 9.043 2.985 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.855 11.282 1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.933 12.383 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.353 11.382 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.719 10.787 4.085 1.00 0.00 H new ATOM 183 N VAL A 14 -10.652 10.939 0.166 1.00 0.00 N ATOM 184 CA VAL A 14 -9.335 11.015 -0.457 1.00 0.00 C ATOM 185 C VAL A 14 -8.669 12.353 -0.135 1.00 0.00 C ATOM 186 O VAL A 14 -9.126 13.081 0.744 1.00 0.00 O ATOM 187 CB VAL A 14 -9.419 10.846 -1.995 1.00 0.00 C ATOM 188 CG1 VAL A 14 -8.217 10.075 -2.511 1.00 0.00 C ATOM 189 CG2 VAL A 14 -10.709 10.147 -2.402 1.00 0.00 C ATOM 0 H VAL A 14 -11.432 11.024 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.739 10.198 -0.051 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.417 11.840 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.292 9.965 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.304 10.616 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.191 9.089 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.740 10.043 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.749 9.160 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.563 10.737 -2.070 1.00 0.00 H new ATOM 199 N THR A 15 -7.594 12.673 -0.856 1.00 0.00 N ATOM 200 CA THR A 15 -6.866 13.926 -0.659 1.00 0.00 C ATOM 201 C THR A 15 -6.016 13.887 0.605 1.00 0.00 C ATOM 202 O THR A 15 -6.495 13.529 1.681 1.00 0.00 O ATOM 203 CB THR A 15 -7.827 15.119 -0.615 1.00 0.00 C ATOM 204 OG1 THR A 15 -8.327 15.327 0.696 1.00 0.00 O ATOM 205 CG2 THR A 15 -9.012 14.967 -1.545 1.00 0.00 C ATOM 0 H THR A 15 -7.206 12.076 -1.587 1.00 0.00 H new ATOM 0 HA THR A 15 -6.198 14.048 -1.512 1.00 0.00 H new ATOM 0 HB THR A 15 -7.234 15.973 -0.943 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.443 14.463 1.143 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.652 15.845 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.659 14.868 -2.571 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.579 14.078 -1.269 1.00 0.00 H new ATOM 213 N CYS A 16 -4.750 14.262 0.460 1.00 0.00 N ATOM 214 CA CYS A 16 -3.817 14.279 1.580 1.00 0.00 C ATOM 215 C CYS A 16 -3.393 15.711 1.905 1.00 0.00 C ATOM 216 O CYS A 16 -2.457 16.240 1.305 1.00 0.00 O ATOM 217 CB CYS A 16 -2.586 13.429 1.253 1.00 0.00 C ATOM 218 SG CYS A 16 -1.305 13.435 2.549 1.00 0.00 S ATOM 0 H CYS A 16 -4.345 14.560 -0.427 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.318 13.859 2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.905 12.401 1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.147 13.789 0.323 1.00 0.00 H new ATOM 223 N PRO A 17 -4.079 16.362 2.861 1.00 0.00 N ATOM 224 CA PRO A 17 -3.767 17.740 3.257 1.00 0.00 C ATOM 225 C PRO A 17 -2.308 17.917 3.676 1.00 0.00 C ATOM 226 O PRO A 17 -1.641 18.851 3.230 1.00 0.00 O ATOM 227 CB PRO A 17 -4.703 18.002 4.441 1.00 0.00 C ATOM 228 CG PRO A 17 -5.817 17.027 4.272 1.00 0.00 C ATOM 229 CD PRO A 17 -5.212 15.812 3.628 1.00 0.00 C ATOM 0 HA PRO A 17 -3.907 18.435 2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.189 17.854 5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.071 19.028 4.434 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.265 16.776 5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.609 17.444 3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.880 15.086 4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.926 15.302 2.981 1.00 0.00 H new ATOM 237 N PRO A 18 -1.784 17.025 4.537 1.00 0.00 N ATOM 238 CA PRO A 18 -0.398 17.106 4.999 1.00 0.00 C ATOM 239 C PRO A 18 0.590 16.580 3.964 1.00 0.00 C ATOM 240 O PRO A 18 0.202 15.903 3.011 1.00 0.00 O ATOM 241 CB PRO A 18 -0.392 16.223 6.243 1.00 0.00 C ATOM 242 CG PRO A 18 -1.446 15.201 5.985 1.00 0.00 C ATOM 243 CD PRO A 18 -2.493 15.871 5.128 1.00 0.00 C ATOM 0 HA PRO A 18 -0.088 18.134 5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.582 15.758 6.394 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.612 16.801 7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.027 14.332 5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.879 14.846 6.920 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.870 15.197 4.359 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.350 16.190 5.721 1.00 0.00 H new ATOM 251 N GLY A 19 1.868 16.896 4.155 1.00 0.00 N ATOM 252 CA GLY A 19 2.893 16.447 3.227 1.00 0.00 C ATOM 253 C GLY A 19 2.520 16.711 1.780 1.00 0.00 C ATOM 254 O GLY A 19 1.944 15.851 1.114 1.00 0.00 O ATOM 0 H GLY A 19 2.213 17.455 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.832 16.952 3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.063 15.379 3.366 1.00 0.00 H new ATOM 258 N GLU A 20 2.845 17.906 1.294 1.00 0.00 N ATOM 259 CA GLU A 20 2.532 18.281 -0.081 1.00 0.00 C ATOM 260 C GLU A 20 3.639 17.851 -1.037 1.00 0.00 C ATOM 261 O GLU A 20 4.498 18.650 -1.407 1.00 0.00 O ATOM 262 CB GLU A 20 2.318 19.793 -0.182 1.00 0.00 C ATOM 263 CG GLU A 20 1.917 20.258 -1.572 1.00 0.00 C ATOM 264 CD GLU A 20 1.713 21.759 -1.648 1.00 0.00 C ATOM 265 OE1 GLU A 20 2.708 22.500 -1.507 1.00 0.00 O ATOM 266 OE2 GLU A 20 0.559 22.192 -1.848 1.00 0.00 O ATOM 0 H GLU A 20 3.324 18.629 1.831 1.00 0.00 H new ATOM 0 HA GLU A 20 1.614 17.767 -0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.547 20.091 0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.236 20.302 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.686 19.963 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.997 19.754 -1.868 1.00 0.00 H new ATOM 273 N ASN A 21 3.608 16.585 -1.440 1.00 0.00 N ATOM 274 CA ASN A 21 4.607 16.055 -2.358 1.00 0.00 C ATOM 275 C ASN A 21 4.193 14.683 -2.883 1.00 0.00 C ATOM 276 O ASN A 21 3.781 14.546 -4.035 1.00 0.00 O ATOM 277 CB ASN A 21 5.971 15.966 -1.670 1.00 0.00 C ATOM 278 CG ASN A 21 7.088 16.531 -2.527 1.00 0.00 C ATOM 279 OD1 ASN A 21 7.620 15.848 -3.402 1.00 0.00 O ATOM 280 ND2 ASN A 21 7.450 17.784 -2.277 1.00 0.00 N ATOM 0 H ASN A 21 2.903 15.909 -1.146 1.00 0.00 H new ATOM 0 HA ASN A 21 4.683 16.737 -3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.934 16.506 -0.724 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.189 14.924 -1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.197 18.217 -2.820 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.981 18.313 -1.542 1.00 0.00 H new ATOM 287 N LEU A 22 4.310 13.669 -2.030 1.00 0.00 N ATOM 288 CA LEU A 22 3.958 12.304 -2.402 1.00 0.00 C ATOM 289 C LEU A 22 2.948 11.712 -1.421 1.00 0.00 C ATOM 290 O LEU A 22 2.868 12.132 -0.267 1.00 0.00 O ATOM 291 CB LEU A 22 5.218 11.441 -2.449 1.00 0.00 C ATOM 292 CG LEU A 22 6.400 12.074 -3.191 1.00 0.00 C ATOM 293 CD1 LEU A 22 7.706 11.798 -2.461 1.00 0.00 C ATOM 294 CD2 LEU A 22 6.468 11.567 -4.626 1.00 0.00 C ATOM 0 H LEU A 22 4.647 13.769 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 22 3.497 12.322 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.526 11.216 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.974 10.491 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 22 6.247 13.153 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.531 12.257 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.657 12.217 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.867 10.722 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.314 12.029 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.593 10.484 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.546 11.825 -5.147 1.00 0.00 H new ATOM 306 N CYS A 23 2.166 10.742 -1.893 1.00 0.00 N ATOM 307 CA CYS A 23 1.151 10.106 -1.069 1.00 0.00 C ATOM 308 C CYS A 23 1.520 8.662 -0.705 1.00 0.00 C ATOM 309 O CYS A 23 0.633 7.837 -0.489 1.00 0.00 O ATOM 310 CB CYS A 23 -0.197 10.145 -1.795 1.00 0.00 C ATOM 311 SG CYS A 23 -0.463 8.799 -2.999 1.00 0.00 S ATOM 0 H CYS A 23 2.220 10.382 -2.846 1.00 0.00 H new ATOM 0 HA CYS A 23 1.083 10.662 -0.134 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.994 10.111 -1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.286 11.099 -2.314 1.00 0.00 H new ATOM 316 N TYR A 24 2.822 8.370 -0.619 1.00 0.00 N ATOM 317 CA TYR A 24 3.316 7.030 -0.266 1.00 0.00 C ATOM 318 C TYR A 24 2.409 5.926 -0.827 1.00 0.00 C ATOM 319 O TYR A 24 1.662 6.165 -1.771 1.00 0.00 O ATOM 320 CB TYR A 24 3.447 6.916 1.257 1.00 0.00 C ATOM 321 CG TYR A 24 4.848 7.189 1.765 1.00 0.00 C ATOM 322 CD1 TYR A 24 5.656 8.140 1.155 1.00 0.00 C ATOM 323 CD2 TYR A 24 5.360 6.497 2.856 1.00 0.00 C ATOM 324 CE1 TYR A 24 6.934 8.393 1.615 1.00 0.00 C ATOM 325 CE2 TYR A 24 6.638 6.744 3.323 1.00 0.00 C ATOM 326 CZ TYR A 24 7.421 7.693 2.699 1.00 0.00 C ATOM 327 OH TYR A 24 8.693 7.943 3.161 1.00 0.00 O ATOM 0 H TYR A 24 3.562 9.051 -0.791 1.00 0.00 H new ATOM 0 HA TYR A 24 4.298 6.893 -0.719 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.756 7.616 1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.146 5.915 1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.279 8.691 0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.750 5.754 3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.549 9.135 1.128 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.021 6.197 4.172 1.00 0.00 H new ATOM 0 HH TYR A 24 9.032 8.768 2.755 1.00 0.00 H new ATOM 337 N ARG A 25 2.483 4.721 -0.246 1.00 0.00 N ATOM 338 CA ARG A 25 1.665 3.579 -0.683 1.00 0.00 C ATOM 339 C ARG A 25 2.440 2.665 -1.633 1.00 0.00 C ATOM 340 O ARG A 25 2.815 3.076 -2.731 1.00 0.00 O ATOM 341 CB ARG A 25 0.370 4.042 -1.375 1.00 0.00 C ATOM 342 CG ARG A 25 -0.439 5.032 -0.554 1.00 0.00 C ATOM 343 CD ARG A 25 -1.869 4.559 -0.347 1.00 0.00 C ATOM 344 NE ARG A 25 -2.057 3.941 0.964 1.00 0.00 N ATOM 345 CZ ARG A 25 -3.214 3.931 1.624 1.00 0.00 C ATOM 346 NH1 ARG A 25 -4.295 4.494 1.097 1.00 0.00 N ATOM 347 NH2 ARG A 25 -3.292 3.353 2.813 1.00 0.00 N ATOM 0 H ARG A 25 3.106 4.510 0.534 1.00 0.00 H new ATOM 0 HA ARG A 25 1.407 3.021 0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.623 4.498 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.248 3.171 -1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.039 5.177 0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.445 6.000 -1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.549 5.405 -0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.130 3.843 -1.126 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.253 3.490 1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.243 4.938 0.180 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.177 4.482 1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.466 2.916 3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.178 3.345 3.319 1.00 0.00 H new ATOM 361 N LYS A 26 2.655 1.418 -1.216 1.00 0.00 N ATOM 362 CA LYS A 26 3.360 0.448 -2.051 1.00 0.00 C ATOM 363 C LYS A 26 2.842 -0.974 -1.808 1.00 0.00 C ATOM 364 O LYS A 26 1.866 -1.392 -2.431 1.00 0.00 O ATOM 365 CB LYS A 26 4.860 0.521 -1.818 1.00 0.00 C ATOM 366 CG LYS A 26 5.606 1.262 -2.917 1.00 0.00 C ATOM 367 CD LYS A 26 5.418 0.590 -4.268 1.00 0.00 C ATOM 368 CE LYS A 26 6.697 0.618 -5.090 1.00 0.00 C ATOM 369 NZ LYS A 26 6.595 1.553 -6.245 1.00 0.00 N ATOM 0 H LYS A 26 2.353 1.058 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 26 3.164 0.703 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.049 1.014 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.258 -0.491 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.251 2.291 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.668 1.303 -2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.102 -0.443 -4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.621 1.092 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.531 0.916 -4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.917 -0.386 -5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.487 1.543 -6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.816 1.254 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.411 2.516 -5.897 1.00 0.00 H new ATOM 383 N MET A 27 3.494 -1.721 -0.909 1.00 0.00 N ATOM 384 CA MET A 27 3.072 -3.092 -0.616 1.00 0.00 C ATOM 385 C MET A 27 4.087 -3.790 0.293 1.00 0.00 C ATOM 386 O MET A 27 4.928 -3.137 0.909 1.00 0.00 O ATOM 387 CB MET A 27 2.903 -3.882 -1.921 1.00 0.00 C ATOM 388 CG MET A 27 1.466 -4.293 -2.199 1.00 0.00 C ATOM 389 SD MET A 27 1.233 -4.910 -3.879 1.00 0.00 S ATOM 390 CE MET A 27 1.906 -3.556 -4.838 1.00 0.00 C ATOM 0 H MET A 27 4.305 -1.403 -0.379 1.00 0.00 H new ATOM 0 HA MET A 27 2.115 -3.053 -0.096 1.00 0.00 H new ATOM 0 HB2 MET A 27 3.267 -3.278 -2.752 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.526 -4.775 -1.879 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.169 -5.064 -1.488 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.809 -3.438 -2.035 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.644 -3.688 -5.888 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.494 -2.614 -4.477 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.991 -3.541 -4.734 1.00 0.00 H new ATOM 400 N TRP A 28 4.003 -5.118 0.372 1.00 0.00 N ATOM 401 CA TRP A 28 4.917 -5.893 1.208 1.00 0.00 C ATOM 402 C TRP A 28 5.472 -7.099 0.445 1.00 0.00 C ATOM 403 O TRP A 28 6.564 -7.032 -0.120 1.00 0.00 O ATOM 404 CB TRP A 28 4.210 -6.348 2.489 1.00 0.00 C ATOM 405 CG TRP A 28 5.057 -7.223 3.366 1.00 0.00 C ATOM 406 CD1 TRP A 28 4.688 -8.407 3.937 1.00 0.00 C ATOM 407 CD2 TRP A 28 6.411 -6.985 3.772 1.00 0.00 C ATOM 408 NE1 TRP A 28 5.729 -8.920 4.673 1.00 0.00 N ATOM 409 CE2 TRP A 28 6.797 -8.067 4.587 1.00 0.00 C ATOM 410 CE3 TRP A 28 7.335 -5.965 3.526 1.00 0.00 C ATOM 411 CZ2 TRP A 28 8.066 -8.155 5.156 1.00 0.00 C ATOM 412 CZ3 TRP A 28 8.594 -6.055 4.091 1.00 0.00 C ATOM 413 CH2 TRP A 28 8.948 -7.143 4.897 1.00 0.00 C ATOM 0 H TRP A 28 3.314 -5.677 -0.131 1.00 0.00 H new ATOM 0 HA TRP A 28 5.756 -5.252 1.479 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.903 -5.469 3.056 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.302 -6.888 2.220 1.00 0.00 H new ATOM 0 HD1 TRP A 28 3.720 -8.872 3.826 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.709 -9.794 5.198 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.070 -5.122 2.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 8.343 -8.993 5.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 9.316 -5.273 3.907 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.939 -7.184 5.324 1.00 0.00 H new ATOM 424 N CYS A 29 4.722 -8.203 0.435 1.00 0.00 N ATOM 425 CA CYS A 29 5.155 -9.418 -0.255 1.00 0.00 C ATOM 426 C CYS A 29 6.538 -9.851 0.229 1.00 0.00 C ATOM 427 O CYS A 29 7.177 -9.154 1.017 1.00 0.00 O ATOM 428 CB CYS A 29 5.187 -9.190 -1.769 1.00 0.00 C ATOM 429 SG CYS A 29 4.680 -10.640 -2.750 1.00 0.00 S ATOM 0 H CYS A 29 3.815 -8.280 0.895 1.00 0.00 H new ATOM 0 HA CYS A 29 4.440 -10.208 -0.028 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.533 -8.353 -2.014 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.197 -8.902 -2.061 1.00 0.00 H new ATOM 434 N ASP A 30 7.000 -11.001 -0.252 1.00 0.00 N ATOM 435 CA ASP A 30 8.312 -11.513 0.127 1.00 0.00 C ATOM 436 C ASP A 30 9.390 -10.927 -0.779 1.00 0.00 C ATOM 437 O ASP A 30 10.124 -10.019 -0.386 1.00 0.00 O ATOM 438 CB ASP A 30 8.329 -13.041 0.047 1.00 0.00 C ATOM 439 CG ASP A 30 8.111 -13.695 1.397 1.00 0.00 C ATOM 440 OD1 ASP A 30 7.366 -13.123 2.220 1.00 0.00 O ATOM 441 OD2 ASP A 30 8.684 -14.780 1.631 1.00 0.00 O ATOM 0 H ASP A 30 6.487 -11.595 -0.903 1.00 0.00 H new ATOM 0 HA ASP A 30 8.518 -11.214 1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.555 -13.374 -0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.284 -13.370 -0.362 1.00 0.00 H new ATOM 446 N ALA A 31 9.467 -11.445 -1.998 1.00 0.00 N ATOM 447 CA ALA A 31 10.437 -10.974 -2.978 1.00 0.00 C ATOM 448 C ALA A 31 9.708 -10.397 -4.196 1.00 0.00 C ATOM 449 O ALA A 31 8.791 -9.591 -4.039 1.00 0.00 O ATOM 450 CB ALA A 31 11.375 -12.108 -3.372 1.00 0.00 C ATOM 0 H ALA A 31 8.865 -12.197 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 31 11.041 -10.180 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.096 -11.746 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.904 -12.466 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.797 -12.925 -3.805 1.00 0.00 H new ATOM 456 N PHE A 32 10.092 -10.811 -5.402 1.00 0.00 N ATOM 457 CA PHE A 32 9.435 -10.323 -6.606 1.00 0.00 C ATOM 458 C PHE A 32 8.008 -10.860 -6.672 1.00 0.00 C ATOM 459 O PHE A 32 7.093 -10.170 -7.118 1.00 0.00 O ATOM 460 CB PHE A 32 10.220 -10.735 -7.857 1.00 0.00 C ATOM 461 CG PHE A 32 10.103 -12.195 -8.195 1.00 0.00 C ATOM 462 CD1 PHE A 32 10.860 -13.140 -7.521 1.00 0.00 C ATOM 463 CD2 PHE A 32 9.237 -12.621 -9.189 1.00 0.00 C ATOM 464 CE1 PHE A 32 10.754 -14.483 -7.832 1.00 0.00 C ATOM 465 CE2 PHE A 32 9.126 -13.962 -9.504 1.00 0.00 C ATOM 466 CZ PHE A 32 9.886 -14.894 -8.824 1.00 0.00 C ATOM 0 H PHE A 32 10.847 -11.476 -5.568 1.00 0.00 H new ATOM 0 HA PHE A 32 9.403 -9.234 -6.569 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.869 -10.146 -8.705 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.272 -10.489 -7.712 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.540 -12.824 -6.744 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.641 -11.896 -9.724 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.350 -15.210 -7.300 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.446 -14.281 -10.280 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.801 -15.943 -9.068 1.00 0.00 H new ATOM 476 N CYS A 33 7.842 -12.102 -6.207 1.00 0.00 N ATOM 477 CA CYS A 33 6.543 -12.783 -6.178 1.00 0.00 C ATOM 478 C CYS A 33 5.654 -12.414 -7.368 1.00 0.00 C ATOM 479 O CYS A 33 5.636 -13.118 -8.377 1.00 0.00 O ATOM 480 CB CYS A 33 5.807 -12.502 -4.859 1.00 0.00 C ATOM 481 SG CYS A 33 6.187 -10.892 -4.087 1.00 0.00 S ATOM 0 H CYS A 33 8.608 -12.666 -5.838 1.00 0.00 H new ATOM 0 HA CYS A 33 6.753 -13.850 -6.252 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.734 -12.555 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.050 -13.294 -4.150 1.00 0.00 H new ATOM 486 N SER A 34 4.904 -11.318 -7.236 1.00 0.00 N ATOM 487 CA SER A 34 3.999 -10.868 -8.293 1.00 0.00 C ATOM 488 C SER A 34 2.721 -11.701 -8.287 1.00 0.00 C ATOM 489 O SER A 34 2.078 -11.881 -9.320 1.00 0.00 O ATOM 490 CB SER A 34 4.674 -10.948 -9.666 1.00 0.00 C ATOM 491 OG SER A 34 4.324 -9.837 -10.473 1.00 0.00 O ATOM 0 H SER A 34 4.906 -10.726 -6.406 1.00 0.00 H new ATOM 0 HA SER A 34 3.744 -9.826 -8.098 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.756 -10.984 -9.541 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.380 -11.871 -10.166 1.00 0.00 H new ATOM 0 HG SER A 34 4.769 -9.911 -11.343 1.00 0.00 H new ATOM 497 N SER A 35 2.361 -12.206 -7.109 1.00 0.00 N ATOM 498 CA SER A 35 1.163 -13.020 -6.953 1.00 0.00 C ATOM 499 C SER A 35 0.621 -12.911 -5.532 1.00 0.00 C ATOM 500 O SER A 35 -0.464 -12.373 -5.310 1.00 0.00 O ATOM 501 CB SER A 35 1.464 -14.482 -7.287 1.00 0.00 C ATOM 502 OG SER A 35 2.784 -14.833 -6.906 1.00 0.00 O ATOM 0 H SER A 35 2.886 -12.063 -6.246 1.00 0.00 H new ATOM 0 HA SER A 35 0.406 -12.649 -7.644 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.751 -15.129 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.335 -14.648 -8.357 1.00 0.00 H new ATOM 0 HG SER A 35 2.950 -15.773 -7.129 1.00 0.00 H new ATOM 508 N ARG A 36 1.385 -13.422 -4.571 1.00 0.00 N ATOM 509 CA ARG A 36 0.984 -13.379 -3.171 1.00 0.00 C ATOM 510 C ARG A 36 1.416 -12.060 -2.524 1.00 0.00 C ATOM 511 O ARG A 36 1.587 -11.056 -3.214 1.00 0.00 O ATOM 512 CB ARG A 36 1.571 -14.579 -2.419 1.00 0.00 C ATOM 513 CG ARG A 36 3.069 -14.489 -2.175 1.00 0.00 C ATOM 514 CD ARG A 36 3.543 -15.585 -1.232 1.00 0.00 C ATOM 515 NE ARG A 36 4.621 -16.383 -1.817 1.00 0.00 N ATOM 516 CZ ARG A 36 5.906 -16.264 -1.484 1.00 0.00 C ATOM 517 NH1 ARG A 36 6.292 -15.375 -0.575 1.00 0.00 N ATOM 518 NH2 ARG A 36 6.812 -17.037 -2.067 1.00 0.00 N ATOM 0 H ARG A 36 2.286 -13.871 -4.738 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.103 -13.436 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.063 -14.676 -1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.360 -15.487 -2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.599 -14.568 -3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.313 -13.514 -1.754 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.888 -15.137 -0.300 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.705 -16.236 -0.982 1.00 0.00 H new ATOM 0 HE ARG A 36 4.373 -17.074 -2.525 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.602 -14.774 -0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.278 -15.293 -0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.525 -17.720 -2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.796 -16.949 -1.815 1.00 0.00 H new ATOM 532 N GLY A 37 1.585 -12.063 -1.202 1.00 0.00 N ATOM 533 CA GLY A 37 1.984 -10.857 -0.504 1.00 0.00 C ATOM 534 C GLY A 37 0.798 -10.016 -0.075 1.00 0.00 C ATOM 535 O GLY A 37 0.940 -8.821 0.180 1.00 0.00 O ATOM 0 H GLY A 37 1.452 -12.880 -0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.571 -11.126 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.631 -10.264 -1.150 1.00 0.00 H new ATOM 539 N LYS A 38 -0.379 -10.645 -0.002 1.00 0.00 N ATOM 540 CA LYS A 38 -1.611 -9.960 0.392 1.00 0.00 C ATOM 541 C LYS A 38 -1.364 -8.963 1.522 1.00 0.00 C ATOM 542 O LYS A 38 -1.357 -9.322 2.700 1.00 0.00 O ATOM 543 CB LYS A 38 -2.671 -10.979 0.813 1.00 0.00 C ATOM 544 CG LYS A 38 -2.253 -11.843 1.994 1.00 0.00 C ATOM 545 CD LYS A 38 -2.192 -13.315 1.617 1.00 0.00 C ATOM 546 CE LYS A 38 -1.787 -14.177 2.801 1.00 0.00 C ATOM 547 NZ LYS A 38 -0.353 -13.992 3.159 1.00 0.00 N ATOM 0 H LYS A 38 -0.503 -11.635 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.971 -9.402 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.590 -10.450 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.899 -11.624 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.277 -11.519 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.958 -11.706 2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.165 -13.637 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.480 -13.454 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.410 -13.929 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.970 -15.226 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.095 -14.658 3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.239 -14.171 2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.201 -13.018 3.489 1.00 0.00 H new ATOM 561 N VAL A 39 -1.161 -7.709 1.141 1.00 0.00 N ATOM 562 CA VAL A 39 -0.909 -6.634 2.091 1.00 0.00 C ATOM 563 C VAL A 39 -1.531 -5.336 1.576 1.00 0.00 C ATOM 564 O VAL A 39 -2.522 -5.378 0.847 1.00 0.00 O ATOM 565 CB VAL A 39 0.603 -6.453 2.318 1.00 0.00 C ATOM 566 CG1 VAL A 39 1.188 -7.690 2.986 1.00 0.00 C ATOM 567 CG2 VAL A 39 1.298 -6.157 1.000 1.00 0.00 C ATOM 0 H VAL A 39 -1.166 -7.409 0.166 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.365 -6.893 3.046 1.00 0.00 H new ATOM 0 HB VAL A 39 0.765 -5.605 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.258 -7.549 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.700 -7.849 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.025 -8.559 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.367 -6.031 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.137 -6.985 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.889 -5.242 0.571 1.00 0.00 H new ATOM 577 N VAL A 40 -0.968 -4.183 1.939 1.00 0.00 N ATOM 578 CA VAL A 40 -1.520 -2.916 1.477 1.00 0.00 C ATOM 579 C VAL A 40 -0.447 -1.840 1.341 1.00 0.00 C ATOM 580 O VAL A 40 0.749 -2.118 1.426 1.00 0.00 O ATOM 581 CB VAL A 40 -2.648 -2.406 2.403 1.00 0.00 C ATOM 582 CG1 VAL A 40 -3.776 -1.793 1.585 1.00 0.00 C ATOM 583 CG2 VAL A 40 -3.179 -3.528 3.282 1.00 0.00 C ATOM 0 H VAL A 40 -0.147 -4.103 2.539 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.940 -3.114 0.491 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.230 -1.635 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.560 -1.440 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.390 -0.955 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.186 -2.544 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.971 -3.143 3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.576 -4.325 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.371 -3.920 3.899 1.00 0.00 H new ATOM 593 N GLU A 41 -0.898 -0.614 1.102 1.00 0.00 N ATOM 594 CA GLU A 41 -0.007 0.524 0.916 1.00 0.00 C ATOM 595 C GLU A 41 -0.053 1.466 2.116 1.00 0.00 C ATOM 596 O GLU A 41 -1.044 1.501 2.847 1.00 0.00 O ATOM 597 CB GLU A 41 -0.408 1.285 -0.350 1.00 0.00 C ATOM 598 CG GLU A 41 -1.470 0.586 -1.187 1.00 0.00 C ATOM 599 CD GLU A 41 -1.703 1.266 -2.521 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.710 1.688 -3.153 1.00 0.00 O ATOM 601 OE2 GLU A 41 -2.876 1.377 -2.934 1.00 0.00 O ATOM 0 H GLU A 41 -1.889 -0.382 1.032 1.00 0.00 H new ATOM 0 HA GLU A 41 1.011 0.148 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.775 2.271 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.479 1.440 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.170 -0.448 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.406 0.558 -0.629 1.00 0.00 H new ATOM 608 N LEU A 42 1.023 2.225 2.321 1.00 0.00 N ATOM 609 CA LEU A 42 1.091 3.151 3.434 1.00 0.00 C ATOM 610 C LEU A 42 0.049 4.263 3.314 1.00 0.00 C ATOM 611 O LEU A 42 -1.060 4.126 3.833 1.00 0.00 O ATOM 612 CB LEU A 42 2.498 3.729 3.573 1.00 0.00 C ATOM 613 CG LEU A 42 3.217 3.301 4.852 1.00 0.00 C ATOM 614 CD1 LEU A 42 3.818 1.912 4.697 1.00 0.00 C ATOM 615 CD2 LEU A 42 4.283 4.315 5.238 1.00 0.00 C ATOM 0 H LEU A 42 1.853 2.212 1.729 1.00 0.00 H new ATOM 0 HA LEU A 42 0.860 2.591 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.093 3.423 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.438 4.817 3.548 1.00 0.00 H new ATOM 0 HG LEU A 42 2.482 3.261 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.324 1.630 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.026 1.195 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.535 1.915 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.781 3.989 6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.015 4.397 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.818 5.286 5.405 1.00 0.00 H new ATOM 627 N GLY A 43 0.385 5.362 2.634 1.00 0.00 N ATOM 628 CA GLY A 43 -0.576 6.440 2.491 1.00 0.00 C ATOM 629 C GLY A 43 -0.036 7.787 2.926 1.00 0.00 C ATOM 630 O GLY A 43 -0.273 8.228 4.050 1.00 0.00 O ATOM 0 H GLY A 43 1.289 5.521 2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.890 6.502 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.464 6.206 3.078 1.00 0.00 H new ATOM 634 N CYS A 44 0.669 8.449 2.020 1.00 0.00 N ATOM 635 CA CYS A 44 1.230 9.771 2.290 1.00 0.00 C ATOM 636 C CYS A 44 2.254 9.745 3.420 1.00 0.00 C ATOM 637 O CYS A 44 2.112 9.002 4.392 1.00 0.00 O ATOM 638 CB CYS A 44 0.108 10.755 2.635 1.00 0.00 C ATOM 639 SG CYS A 44 0.202 12.340 1.743 1.00 0.00 S ATOM 0 H CYS A 44 0.869 8.092 1.085 1.00 0.00 H new ATOM 0 HA CYS A 44 1.745 10.094 1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.851 10.285 2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.130 10.953 3.707 1.00 0.00 H new ATOM 644 N ALA A 45 3.281 10.580 3.281 1.00 0.00 N ATOM 645 CA ALA A 45 4.336 10.684 4.282 1.00 0.00 C ATOM 646 C ALA A 45 4.873 12.110 4.355 1.00 0.00 C ATOM 647 O ALA A 45 4.665 12.812 5.345 1.00 0.00 O ATOM 648 CB ALA A 45 5.460 9.709 3.976 1.00 0.00 C ATOM 0 H ALA A 45 3.404 11.198 2.479 1.00 0.00 H new ATOM 0 HA ALA A 45 3.911 10.428 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.238 9.801 4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.070 8.691 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.880 9.934 2.996 1.00 0.00 H new ATOM 654 N ALA A 46 5.563 12.530 3.296 1.00 0.00 N ATOM 655 CA ALA A 46 6.136 13.873 3.221 1.00 0.00 C ATOM 656 C ALA A 46 7.141 13.966 2.079 1.00 0.00 C ATOM 657 O ALA A 46 7.234 14.989 1.400 1.00 0.00 O ATOM 658 CB ALA A 46 6.804 14.252 4.536 1.00 0.00 C ATOM 0 H ALA A 46 5.740 11.955 2.472 1.00 0.00 H new ATOM 0 HA ALA A 46 5.323 14.574 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.223 15.255 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.067 14.230 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.602 13.543 4.757 1.00 0.00 H new ATOM 664 N THR A 47 7.888 12.887 1.874 1.00 0.00 N ATOM 665 CA THR A 47 8.892 12.833 0.815 1.00 0.00 C ATOM 666 C THR A 47 9.575 11.470 0.791 1.00 0.00 C ATOM 667 O THR A 47 9.345 10.638 1.668 1.00 0.00 O ATOM 668 CB THR A 47 9.931 13.939 1.009 1.00 0.00 C ATOM 669 OG1 THR A 47 10.854 13.956 -0.064 1.00 0.00 O ATOM 670 CG2 THR A 47 10.719 13.799 2.294 1.00 0.00 C ATOM 0 H THR A 47 7.818 12.034 2.429 1.00 0.00 H new ATOM 0 HA THR A 47 8.390 12.986 -0.140 1.00 0.00 H new ATOM 0 HB THR A 47 9.361 14.867 1.051 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.508 14.671 0.079 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.438 14.614 2.370 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.038 13.835 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.249 12.847 2.294 1.00 0.00 H new ATOM 678 N CYS A 48 10.414 11.240 -0.217 1.00 0.00 N ATOM 679 CA CYS A 48 11.118 9.967 -0.340 1.00 0.00 C ATOM 680 C CYS A 48 12.543 10.149 -0.862 1.00 0.00 C ATOM 681 O CYS A 48 12.946 9.492 -1.822 1.00 0.00 O ATOM 682 CB CYS A 48 10.341 9.023 -1.259 1.00 0.00 C ATOM 683 SG CYS A 48 10.308 9.535 -3.008 1.00 0.00 S ATOM 0 H CYS A 48 10.621 11.913 -0.955 1.00 0.00 H new ATOM 0 HA CYS A 48 11.185 9.532 0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.780 8.028 -1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.316 8.944 -0.896 1.00 0.00 H new ATOM 688 N PRO A 49 13.344 11.021 -0.225 1.00 0.00 N ATOM 689 CA PRO A 49 14.732 11.236 -0.635 1.00 0.00 C ATOM 690 C PRO A 49 15.516 9.929 -0.600 1.00 0.00 C ATOM 691 O PRO A 49 16.545 9.783 -1.261 1.00 0.00 O ATOM 692 CB PRO A 49 15.278 12.219 0.408 1.00 0.00 C ATOM 693 CG PRO A 49 14.073 12.863 1.003 1.00 0.00 C ATOM 694 CD PRO A 49 12.982 11.830 0.951 1.00 0.00 C ATOM 0 HA PRO A 49 14.813 11.613 -1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.864 11.702 1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.933 12.958 -0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.265 13.176 2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.792 13.756 0.444 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.952 11.229 1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.999 12.287 0.839 1.00 0.00 H new ATOM 702 N SER A 50 15.004 8.981 0.180 1.00 0.00 N ATOM 703 CA SER A 50 15.620 7.671 0.325 1.00 0.00 C ATOM 704 C SER A 50 15.669 6.936 -1.011 1.00 0.00 C ATOM 705 O SER A 50 15.448 7.528 -2.067 1.00 0.00 O ATOM 706 CB SER A 50 14.828 6.848 1.341 1.00 0.00 C ATOM 707 OG SER A 50 15.623 5.813 1.894 1.00 0.00 O ATOM 0 H SER A 50 14.152 9.102 0.727 1.00 0.00 H new ATOM 0 HA SER A 50 16.644 7.806 0.675 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.468 7.498 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.950 6.418 0.859 1.00 0.00 H new ATOM 0 HG SER A 50 15.151 5.407 2.651 1.00 0.00 H new ATOM 713 N LYS A 51 15.959 5.639 -0.954 1.00 0.00 N ATOM 714 CA LYS A 51 16.035 4.811 -2.154 1.00 0.00 C ATOM 715 C LYS A 51 16.435 3.382 -1.799 1.00 0.00 C ATOM 716 O LYS A 51 17.219 2.750 -2.507 1.00 0.00 O ATOM 717 CB LYS A 51 17.035 5.403 -3.151 1.00 0.00 C ATOM 718 CG LYS A 51 18.337 5.860 -2.512 1.00 0.00 C ATOM 719 CD LYS A 51 18.961 7.010 -3.286 1.00 0.00 C ATOM 720 CE LYS A 51 19.422 6.567 -4.666 1.00 0.00 C ATOM 721 NZ LYS A 51 20.757 5.909 -4.620 1.00 0.00 N ATOM 0 H LYS A 51 16.146 5.137 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 51 15.048 4.791 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.257 4.658 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.572 6.250 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 51 18.150 6.170 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.037 5.025 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 51 18.237 7.819 -3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 51 19.809 7.408 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.692 5.877 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.466 7.431 -5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.036 5.622 -5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 21.460 6.575 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.709 5.070 -4.008 1.00 0.00 H new ATOM 735 N LYS A 52 15.889 2.879 -0.695 1.00 0.00 N ATOM 736 CA LYS A 52 16.189 1.522 -0.241 1.00 0.00 C ATOM 737 C LYS A 52 15.434 0.484 -1.070 1.00 0.00 C ATOM 738 O LYS A 52 14.387 0.778 -1.647 1.00 0.00 O ATOM 739 CB LYS A 52 15.853 1.343 1.249 1.00 0.00 C ATOM 740 CG LYS A 52 14.752 2.257 1.772 1.00 0.00 C ATOM 741 CD LYS A 52 13.493 2.176 0.922 1.00 0.00 C ATOM 742 CE LYS A 52 12.596 3.385 1.133 1.00 0.00 C ATOM 743 NZ LYS A 52 12.202 3.549 2.560 1.00 0.00 N ATOM 0 H LYS A 52 15.237 3.389 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 52 17.260 1.368 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.557 0.308 1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.757 1.515 1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.513 1.986 2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.112 3.286 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.768 2.106 -0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.944 1.267 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.113 4.283 0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.701 3.283 0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.877 4.524 2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.434 2.886 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.020 3.352 3.171 1.00 0.00 H new ATOM 757 N PRO A 53 15.961 -0.751 -1.141 1.00 0.00 N ATOM 758 CA PRO A 53 15.331 -1.832 -1.903 1.00 0.00 C ATOM 759 C PRO A 53 14.047 -2.336 -1.238 1.00 0.00 C ATOM 760 O PRO A 53 12.960 -1.830 -1.518 1.00 0.00 O ATOM 761 CB PRO A 53 16.410 -2.919 -1.938 1.00 0.00 C ATOM 762 CG PRO A 53 17.247 -2.669 -0.730 1.00 0.00 C ATOM 763 CD PRO A 53 17.211 -1.185 -0.488 1.00 0.00 C ATOM 0 HA PRO A 53 15.016 -1.511 -2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.968 -3.915 -1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.004 -2.857 -2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.858 -3.212 0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 53 18.269 -3.012 -0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 53 17.207 -0.954 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 53 18.080 -0.688 -0.919 1.00 0.00 H new ATOM 771 N TYR A 54 14.170 -3.329 -0.356 1.00 0.00 N ATOM 772 CA TYR A 54 13.003 -3.884 0.343 1.00 0.00 C ATOM 773 C TYR A 54 12.618 -3.004 1.526 1.00 0.00 C ATOM 774 O TYR A 54 13.456 -2.689 2.372 1.00 0.00 O ATOM 775 CB TYR A 54 13.311 -5.302 0.824 1.00 0.00 C ATOM 776 CG TYR A 54 14.780 -5.602 0.757 1.00 0.00 C ATOM 777 CD1 TYR A 54 15.629 -5.195 1.772 1.00 0.00 C ATOM 778 CD2 TYR A 54 15.325 -6.227 -0.351 1.00 0.00 C ATOM 779 CE1 TYR A 54 16.985 -5.416 1.694 1.00 0.00 C ATOM 780 CE2 TYR A 54 16.680 -6.448 -0.445 1.00 0.00 C ATOM 781 CZ TYR A 54 17.511 -6.042 0.580 1.00 0.00 C ATOM 782 OH TYR A 54 18.866 -6.260 0.492 1.00 0.00 O ATOM 0 H TYR A 54 15.058 -3.765 -0.108 1.00 0.00 H new ATOM 0 HA TYR A 54 12.164 -3.915 -0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.961 -5.423 1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.764 -6.021 0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.221 -4.696 2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 54 14.677 -6.546 -1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 54 17.634 -5.102 2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.091 -6.936 -1.316 1.00 0.00 H new ATOM 0 HH TYR A 54 19.070 -6.711 -0.353 1.00 0.00 H new ATOM 792 N GLU A 55 11.352 -2.609 1.585 1.00 0.00 N ATOM 793 CA GLU A 55 10.874 -1.764 2.672 1.00 0.00 C ATOM 794 C GLU A 55 9.369 -1.914 2.876 1.00 0.00 C ATOM 795 O GLU A 55 8.926 -2.606 3.791 1.00 0.00 O ATOM 796 CB GLU A 55 11.224 -0.299 2.397 1.00 0.00 C ATOM 797 CG GLU A 55 12.299 0.255 3.320 1.00 0.00 C ATOM 798 CD GLU A 55 11.972 0.049 4.786 1.00 0.00 C ATOM 799 OE1 GLU A 55 10.781 0.138 5.148 1.00 0.00 O ATOM 800 OE2 GLU A 55 12.909 -0.204 5.572 1.00 0.00 O ATOM 0 H GLU A 55 10.641 -2.859 0.897 1.00 0.00 H new ATOM 0 HA GLU A 55 11.371 -2.086 3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.559 -0.202 1.364 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.323 0.306 2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.251 -0.226 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.426 1.320 3.126 1.00 0.00 H new ATOM 807 N GLU A 56 8.590 -1.256 2.016 1.00 0.00 N ATOM 808 CA GLU A 56 7.134 -1.295 2.086 1.00 0.00 C ATOM 809 C GLU A 56 6.542 -0.198 1.205 1.00 0.00 C ATOM 810 O GLU A 56 5.430 -0.335 0.700 1.00 0.00 O ATOM 811 CB GLU A 56 6.641 -1.124 3.530 1.00 0.00 C ATOM 812 CG GLU A 56 5.127 -1.072 3.656 1.00 0.00 C ATOM 813 CD GLU A 56 4.634 -1.580 4.997 1.00 0.00 C ATOM 814 OE1 GLU A 56 4.917 -0.921 6.021 1.00 0.00 O ATOM 815 OE2 GLU A 56 3.966 -2.635 5.024 1.00 0.00 O ATOM 0 H GLU A 56 8.953 -0.683 1.254 1.00 0.00 H new ATOM 0 HA GLU A 56 6.804 -2.270 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.019 -1.949 4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.063 -0.208 3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.790 -0.045 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.680 -1.667 2.860 1.00 0.00 H new ATOM 822 N VAL A 57 7.296 0.892 1.030 1.00 0.00 N ATOM 823 CA VAL A 57 6.844 2.014 0.208 1.00 0.00 C ATOM 824 C VAL A 57 7.970 2.996 -0.082 1.00 0.00 C ATOM 825 O VAL A 57 8.977 3.044 0.625 1.00 0.00 O ATOM 826 CB VAL A 57 5.641 2.763 0.849 1.00 0.00 C ATOM 827 CG1 VAL A 57 5.424 2.323 2.287 1.00 0.00 C ATOM 828 CG2 VAL A 57 5.800 4.279 0.787 1.00 0.00 C ATOM 0 H VAL A 57 8.219 1.019 1.446 1.00 0.00 H new ATOM 0 HA VAL A 57 6.512 1.581 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 57 4.764 2.497 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.577 2.863 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.221 1.252 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.319 2.537 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.934 4.755 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.703 4.572 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.877 4.595 -0.254 1.00 0.00 H new ATOM 838 N THR A 58 7.767 3.787 -1.125 1.00 0.00 N ATOM 839 CA THR A 58 8.732 4.797 -1.535 1.00 0.00 C ATOM 840 C THR A 58 8.072 6.171 -1.552 1.00 0.00 C ATOM 841 O THR A 58 8.393 7.035 -0.739 1.00 0.00 O ATOM 842 CB THR A 58 9.297 4.468 -2.919 1.00 0.00 C ATOM 843 OG1 THR A 58 8.430 3.596 -3.622 1.00 0.00 O ATOM 844 CG2 THR A 58 10.662 3.815 -2.869 1.00 0.00 C ATOM 0 H THR A 58 6.932 3.748 -1.709 1.00 0.00 H new ATOM 0 HA THR A 58 9.553 4.805 -0.819 1.00 0.00 H new ATOM 0 HB THR A 58 9.389 5.428 -3.428 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.809 3.400 -4.504 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.004 3.608 -3.883 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.368 4.484 -2.377 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.598 2.881 -2.310 1.00 0.00 H new ATOM 852 N CYS A 59 7.135 6.354 -2.478 1.00 0.00 N ATOM 853 CA CYS A 59 6.409 7.615 -2.605 1.00 0.00 C ATOM 854 C CYS A 59 5.422 7.550 -3.766 1.00 0.00 C ATOM 855 O CYS A 59 5.673 6.881 -4.769 1.00 0.00 O ATOM 856 CB CYS A 59 7.377 8.785 -2.798 1.00 0.00 C ATOM 857 SG CYS A 59 8.836 8.396 -3.819 1.00 0.00 S ATOM 0 H CYS A 59 6.859 5.642 -3.154 1.00 0.00 H new ATOM 0 HA CYS A 59 5.853 7.778 -1.682 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.838 9.614 -3.257 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.714 9.127 -1.819 1.00 0.00 H new ATOM 862 N CYS A 60 4.294 8.237 -3.619 1.00 0.00 N ATOM 863 CA CYS A 60 3.260 8.245 -4.649 1.00 0.00 C ATOM 864 C CYS A 60 2.752 9.658 -4.919 1.00 0.00 C ATOM 865 O CYS A 60 1.741 10.075 -4.357 1.00 0.00 O ATOM 866 CB CYS A 60 2.094 7.361 -4.210 1.00 0.00 C ATOM 867 SG CYS A 60 2.335 5.586 -4.548 1.00 0.00 S ATOM 0 H CYS A 60 4.072 8.796 -2.796 1.00 0.00 H new ATOM 0 HA CYS A 60 3.697 7.859 -5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.932 7.497 -3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.188 7.696 -4.715 1.00 0.00 H new ATOM 872 N SER A 61 3.445 10.394 -5.777 1.00 0.00 N ATOM 873 CA SER A 61 3.035 11.755 -6.100 1.00 0.00 C ATOM 874 C SER A 61 2.152 11.775 -7.346 1.00 0.00 C ATOM 875 O SER A 61 2.591 12.171 -8.426 1.00 0.00 O ATOM 876 CB SER A 61 4.261 12.651 -6.297 1.00 0.00 C ATOM 877 OG SER A 61 3.967 13.755 -7.137 1.00 0.00 O ATOM 0 H SER A 61 4.286 10.076 -6.258 1.00 0.00 H new ATOM 0 HA SER A 61 2.453 12.143 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.609 13.011 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.073 12.068 -6.731 1.00 0.00 H new ATOM 0 HG SER A 61 3.650 13.430 -8.005 1.00 0.00 H new ATOM 883 N THR A 62 0.904 11.345 -7.183 1.00 0.00 N ATOM 884 CA THR A 62 -0.048 11.310 -8.289 1.00 0.00 C ATOM 885 C THR A 62 -1.484 11.312 -7.766 1.00 0.00 C ATOM 886 O THR A 62 -1.729 11.629 -6.602 1.00 0.00 O ATOM 887 CB THR A 62 0.195 10.076 -9.160 1.00 0.00 C ATOM 888 OG1 THR A 62 1.507 9.578 -8.970 1.00 0.00 O ATOM 889 CG2 THR A 62 0.016 10.342 -10.640 1.00 0.00 C ATOM 0 H THR A 62 0.528 11.015 -6.294 1.00 0.00 H new ATOM 0 HA THR A 62 0.099 12.204 -8.896 1.00 0.00 H new ATOM 0 HB THR A 62 -0.553 9.349 -8.844 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.642 8.788 -9.534 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.203 9.426 -11.200 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.003 10.680 -10.828 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.719 11.112 -10.959 1.00 0.00 H new ATOM 897 N ASP A 63 -2.432 10.960 -8.632 1.00 0.00 N ATOM 898 CA ASP A 63 -3.840 10.925 -8.249 1.00 0.00 C ATOM 899 C ASP A 63 -4.453 9.554 -8.524 1.00 0.00 C ATOM 900 O ASP A 63 -5.655 9.440 -8.766 1.00 0.00 O ATOM 901 CB ASP A 63 -4.620 12.006 -9.000 1.00 0.00 C ATOM 902 CG ASP A 63 -4.608 11.790 -10.501 1.00 0.00 C ATOM 903 OD1 ASP A 63 -3.520 11.884 -11.106 1.00 0.00 O ATOM 904 OD2 ASP A 63 -5.688 11.526 -11.070 1.00 0.00 O ATOM 0 H ASP A 63 -2.251 10.696 -9.600 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.901 11.117 -7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.651 12.019 -8.646 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.193 12.983 -8.773 1.00 0.00 H new ATOM 909 N LYS A 64 -3.623 8.517 -8.481 1.00 0.00 N ATOM 910 CA LYS A 64 -4.086 7.154 -8.721 1.00 0.00 C ATOM 911 C LYS A 64 -2.929 6.164 -8.622 1.00 0.00 C ATOM 912 O LYS A 64 -2.793 5.262 -9.448 1.00 0.00 O ATOM 913 CB LYS A 64 -4.750 7.046 -10.097 1.00 0.00 C ATOM 914 CG LYS A 64 -3.993 7.772 -11.197 1.00 0.00 C ATOM 915 CD LYS A 64 -4.154 7.071 -12.537 1.00 0.00 C ATOM 916 CE LYS A 64 -3.687 7.950 -13.687 1.00 0.00 C ATOM 917 NZ LYS A 64 -4.828 8.612 -14.379 1.00 0.00 N ATOM 0 H LYS A 64 -2.626 8.594 -8.282 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.821 6.908 -7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.842 5.993 -10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.761 7.449 -10.036 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.356 8.797 -11.275 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.936 7.827 -10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.584 6.142 -12.533 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.200 6.803 -12.685 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.002 8.709 -13.309 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.130 7.346 -14.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.468 9.202 -15.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.469 7.888 -14.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.345 9.209 -13.702 1.00 0.00 H new ATOM 931 N CYS A 65 -2.095 6.343 -7.603 1.00 0.00 N ATOM 932 CA CYS A 65 -0.946 5.473 -7.388 1.00 0.00 C ATOM 933 C CYS A 65 -1.371 4.146 -6.763 1.00 0.00 C ATOM 934 O CYS A 65 -0.706 3.126 -6.942 1.00 0.00 O ATOM 935 CB CYS A 65 0.080 6.167 -6.491 1.00 0.00 C ATOM 936 SG CYS A 65 1.717 5.366 -6.469 1.00 0.00 S ATOM 0 H CYS A 65 -2.195 7.086 -6.911 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.493 5.265 -8.358 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.197 7.199 -6.823 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -0.309 6.202 -5.473 1.00 0.00 H new ATOM 941 N ASN A 66 -2.476 4.170 -6.025 1.00 0.00 N ATOM 942 CA ASN A 66 -2.988 2.972 -5.365 1.00 0.00 C ATOM 943 C ASN A 66 -3.281 1.860 -6.373 1.00 0.00 C ATOM 944 O ASN A 66 -4.276 1.919 -7.096 1.00 0.00 O ATOM 945 CB ASN A 66 -4.260 3.307 -4.584 1.00 0.00 C ATOM 946 CG ASN A 66 -4.089 4.518 -3.688 1.00 0.00 C ATOM 947 OD1 ASN A 66 -3.976 5.647 -4.166 1.00 0.00 O ATOM 948 ND2 ASN A 66 -4.070 4.290 -2.379 1.00 0.00 N ATOM 0 H ASN A 66 -3.036 5.008 -5.868 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.220 2.615 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.075 3.489 -5.284 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.547 2.448 -3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.958 5.067 -1.728 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.167 3.338 -2.026 1.00 0.00 H new ATOM 955 N PRO A 67 -2.424 0.822 -6.434 1.00 0.00 N ATOM 956 CA PRO A 67 -2.607 -0.304 -7.353 1.00 0.00 C ATOM 957 C PRO A 67 -3.739 -1.226 -6.906 1.00 0.00 C ATOM 958 O PRO A 67 -4.641 -0.809 -6.179 1.00 0.00 O ATOM 959 CB PRO A 67 -1.259 -1.047 -7.304 1.00 0.00 C ATOM 960 CG PRO A 67 -0.340 -0.168 -6.517 1.00 0.00 C ATOM 961 CD PRO A 67 -1.216 0.651 -5.618 1.00 0.00 C ATOM 0 HA PRO A 67 -2.879 0.030 -8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.367 -2.023 -6.831 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.871 -1.220 -8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.366 -0.762 -5.937 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.247 0.471 -7.176 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.428 0.139 -4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.758 1.607 -5.364 1.00 0.00 H new ATOM 969 N HIS A 68 -3.687 -2.483 -7.341 1.00 0.00 N ATOM 970 CA HIS A 68 -4.708 -3.461 -6.980 1.00 0.00 C ATOM 971 C HIS A 68 -4.164 -4.464 -5.963 1.00 0.00 C ATOM 972 O HIS A 68 -2.956 -4.537 -5.739 1.00 0.00 O ATOM 973 CB HIS A 68 -5.207 -4.192 -8.229 1.00 0.00 C ATOM 974 CG HIS A 68 -6.518 -3.676 -8.739 1.00 0.00 C ATOM 975 ND1 HIS A 68 -7.254 -4.320 -9.712 1.00 0.00 N ATOM 976 CD2 HIS A 68 -7.226 -2.571 -8.405 1.00 0.00 C ATOM 977 CE1 HIS A 68 -8.356 -3.633 -9.954 1.00 0.00 C ATOM 978 NE2 HIS A 68 -8.364 -2.568 -9.174 1.00 0.00 N ATOM 0 H HIS A 68 -2.949 -2.847 -7.943 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.544 -2.930 -6.524 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.459 -4.102 -9.016 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.306 -5.254 -8.004 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -6.989 -5.191 -10.173 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.948 -1.830 -7.670 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.121 -3.898 -10.669 1.00 0.00 H new ATOM 987 N PRO A 69 -5.052 -5.252 -5.328 1.00 0.00 N ATOM 988 CA PRO A 69 -4.652 -6.249 -4.330 1.00 0.00 C ATOM 989 C PRO A 69 -3.585 -7.205 -4.854 1.00 0.00 C ATOM 990 O PRO A 69 -3.179 -7.124 -6.015 1.00 0.00 O ATOM 991 CB PRO A 69 -5.952 -7.009 -4.020 1.00 0.00 C ATOM 992 CG PRO A 69 -6.916 -6.610 -5.089 1.00 0.00 C ATOM 993 CD PRO A 69 -6.508 -5.235 -5.525 1.00 0.00 C ATOM 0 HA PRO A 69 -4.206 -5.779 -3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.786 -8.086 -4.024 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -6.332 -6.748 -3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.883 -7.309 -5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -7.939 -6.612 -4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.774 -5.045 -6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.989 -4.461 -4.926 1.00 0.00 H new ATOM 1001 N LYS A 70 -3.129 -8.106 -3.988 1.00 0.00 N ATOM 1002 CA LYS A 70 -2.102 -9.075 -4.356 1.00 0.00 C ATOM 1003 C LYS A 70 -2.711 -10.303 -5.022 1.00 0.00 C ATOM 1004 O LYS A 70 -2.341 -10.661 -6.140 1.00 0.00 O ATOM 1005 CB LYS A 70 -1.308 -9.498 -3.119 1.00 0.00 C ATOM 1006 CG LYS A 70 -0.590 -8.344 -2.438 1.00 0.00 C ATOM 1007 CD LYS A 70 0.842 -8.195 -2.933 1.00 0.00 C ATOM 1008 CE LYS A 70 0.921 -8.255 -4.451 1.00 0.00 C ATOM 1009 NZ LYS A 70 2.298 -7.981 -4.949 1.00 0.00 N ATOM 0 H LYS A 70 -3.456 -8.185 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.433 -8.596 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.985 -9.967 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.576 -10.252 -3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.136 -7.418 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.587 -8.504 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.251 -7.247 -2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.459 -8.985 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.601 -9.240 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.229 -7.529 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.363 -8.244 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.511 -6.969 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.983 -8.539 -4.400 1.00 0.00 H new ATOM 1023 N GLN A 71 -3.639 -10.949 -4.323 1.00 0.00 N ATOM 1024 CA GLN A 71 -4.302 -12.147 -4.837 1.00 0.00 C ATOM 1025 C GLN A 71 -4.676 -11.990 -6.311 1.00 0.00 C ATOM 1026 O GLN A 71 -4.148 -12.694 -7.172 1.00 0.00 O ATOM 1027 CB GLN A 71 -5.551 -12.459 -4.011 1.00 0.00 C ATOM 1028 CG GLN A 71 -5.255 -13.202 -2.719 1.00 0.00 C ATOM 1029 CD GLN A 71 -6.476 -13.898 -2.151 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -7.328 -13.268 -1.524 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -6.569 -15.204 -2.370 1.00 0.00 N ATOM 0 H GLN A 71 -3.951 -10.663 -3.395 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.600 -12.976 -4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.063 -11.526 -3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.236 -13.055 -4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.473 -13.939 -2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.866 -12.500 -1.982 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.839 -15.686 -2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.370 -15.725 -2.013 1.00 0.00 H new ATOM 1040 N ARG A 72 -5.585 -11.062 -6.597 1.00 0.00 N ATOM 1041 CA ARG A 72 -6.019 -10.816 -7.969 1.00 0.00 C ATOM 1042 C ARG A 72 -5.777 -9.361 -8.362 1.00 0.00 C ATOM 1043 O ARG A 72 -6.652 -8.511 -8.192 1.00 0.00 O ATOM 1044 CB ARG A 72 -7.503 -11.160 -8.137 1.00 0.00 C ATOM 1045 CG ARG A 72 -7.950 -12.367 -7.326 1.00 0.00 C ATOM 1046 CD ARG A 72 -8.378 -11.969 -5.924 1.00 0.00 C ATOM 1047 NE ARG A 72 -9.289 -10.828 -5.932 1.00 0.00 N ATOM 1048 CZ ARG A 72 -10.570 -10.904 -6.287 1.00 0.00 C ATOM 1049 NH1 ARG A 72 -11.096 -12.066 -6.653 1.00 0.00 N ATOM 1050 NH2 ARG A 72 -11.327 -9.816 -6.274 1.00 0.00 N ATOM 0 H ARG A 72 -6.034 -10.469 -5.899 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.432 -11.458 -8.625 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.101 -10.297 -7.846 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.706 -11.347 -9.191 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.778 -12.861 -7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.136 -13.089 -7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.863 -12.816 -5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.496 -11.724 -5.332 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.922 -9.919 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.518 -12.907 -6.663 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.078 -12.119 -6.924 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.928 -8.921 -5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.308 -9.874 -6.546 1.00 0.00 H new ATOM 1064 N PRO A 73 -4.582 -9.053 -8.893 1.00 0.00 N ATOM 1065 CA PRO A 73 -4.230 -7.693 -9.307 1.00 0.00 C ATOM 1066 C PRO A 73 -4.900 -7.293 -10.617 1.00 0.00 C ATOM 1067 O PRO A 73 -5.423 -6.186 -10.747 1.00 0.00 O ATOM 1068 CB PRO A 73 -2.714 -7.762 -9.482 1.00 0.00 C ATOM 1069 CG PRO A 73 -2.444 -9.180 -9.850 1.00 0.00 C ATOM 1070 CD PRO A 73 -3.479 -10.005 -9.130 1.00 0.00 C ATOM 0 HA PRO A 73 -4.558 -6.947 -8.583 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.373 -7.079 -10.260 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.196 -7.485 -8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.514 -9.322 -10.928 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.437 -9.474 -9.554 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.805 -10.853 -9.732 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.090 -10.408 -8.195 1.00 0.00 H new ATOM 1078 N GLY A 74 -4.879 -8.202 -11.587 1.00 0.00 N ATOM 1079 CA GLY A 74 -5.487 -7.926 -12.876 1.00 0.00 C ATOM 1080 C GLY A 74 -4.480 -7.957 -14.009 1.00 0.00 C ATOM 1081 O GLY A 74 -3.652 -7.025 -14.093 1.00 0.00 O ATOM 1082 OXT GLY A 74 -4.516 -8.915 -14.810 1.00 0.00 O ATOM 0 H GLY A 74 -4.452 -9.125 -11.503 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.270 -8.659 -13.070 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.966 -6.948 -12.846 1.00 0.00 H new TER 1086 GLY A 74 ATOM 1087 N TYR B 181 -3.095 -16.971 26.096 1.00 0.00 N ATOM 1088 CA TYR B 181 -2.976 -15.790 25.200 1.00 0.00 C ATOM 1089 C TYR B 181 -3.194 -16.181 23.742 1.00 0.00 C ATOM 1090 O TYR B 181 -2.248 -16.235 22.955 1.00 0.00 O ATOM 1091 CB TYR B 181 -1.584 -15.181 25.380 1.00 0.00 C ATOM 1092 CG TYR B 181 -1.269 -14.796 26.809 1.00 0.00 C ATOM 1093 CD1 TYR B 181 -2.172 -14.060 27.566 1.00 0.00 C ATOM 1094 CD2 TYR B 181 -0.067 -15.166 27.399 1.00 0.00 C ATOM 1095 CE1 TYR B 181 -1.886 -13.706 28.871 1.00 0.00 C ATOM 1096 CE2 TYR B 181 0.226 -14.815 28.703 1.00 0.00 C ATOM 1097 CZ TYR B 181 -0.686 -14.086 29.434 1.00 0.00 C ATOM 1098 OH TYR B 181 -0.398 -13.733 30.733 1.00 0.00 O ATOM 0 HA TYR B 181 -3.743 -15.062 25.463 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -0.837 -15.895 25.032 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -1.499 -14.297 24.748 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -3.112 -13.760 27.128 1.00 0.00 H new ATOM 0 HD2 TYR B 181 0.650 -15.738 26.829 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -2.599 -13.135 29.447 1.00 0.00 H new ATOM 0 HE2 TYR B 181 1.165 -15.111 29.147 1.00 0.00 H new ATOM 0 HH TYR B 181 0.486 -14.079 30.978 1.00 0.00 H new ATOM 1110 N ARG B 182 -4.446 -16.452 23.386 1.00 0.00 N ATOM 1111 CA ARG B 182 -4.785 -16.837 22.022 1.00 0.00 C ATOM 1112 C ARG B 182 -5.342 -15.650 21.243 1.00 0.00 C ATOM 1113 O ARG B 182 -6.204 -14.922 21.734 1.00 0.00 O ATOM 1114 CB ARG B 182 -5.803 -17.978 22.028 1.00 0.00 C ATOM 1115 CG ARG B 182 -5.834 -18.774 20.734 1.00 0.00 C ATOM 1116 CD ARG B 182 -5.062 -20.077 20.861 1.00 0.00 C ATOM 1117 NE ARG B 182 -5.632 -20.952 21.884 1.00 0.00 N ATOM 1118 CZ ARG B 182 -5.196 -22.186 22.131 1.00 0.00 C ATOM 1119 NH1 ARG B 182 -4.186 -22.692 21.433 1.00 0.00 N ATOM 1120 NH2 ARG B 182 -5.770 -22.914 23.080 1.00 0.00 N ATOM 0 H ARG B 182 -5.241 -16.412 24.023 1.00 0.00 H new ATOM 0 HA ARG B 182 -3.872 -17.176 21.531 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -5.575 -18.652 22.854 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -6.795 -17.567 22.216 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -6.868 -18.988 20.462 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -5.409 -18.176 19.928 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -5.061 -20.593 19.901 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -4.022 -19.860 21.107 1.00 0.00 H new ATOM 0 HE ARG B 182 -6.409 -20.597 22.441 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -3.740 -22.135 20.704 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -3.856 -23.638 21.626 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -6.545 -22.529 23.620 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -5.437 -23.859 23.270 1.00 0.00 H new ATOM 1134 N GLY B 183 -4.843 -15.461 20.026 1.00 0.00 N ATOM 1135 CA GLY B 183 -5.302 -14.361 19.199 1.00 0.00 C ATOM 1136 C GLY B 183 -5.327 -14.712 17.725 1.00 0.00 C ATOM 1137 O GLY B 183 -6.302 -14.430 17.029 1.00 0.00 O ATOM 0 H GLY B 183 -4.129 -16.050 19.598 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -6.302 -14.066 19.516 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -4.652 -13.500 19.353 1.00 0.00 H new ATOM 1141 N TRP B 184 -4.249 -15.328 17.248 1.00 0.00 N ATOM 1142 CA TRP B 184 -4.150 -15.719 15.846 1.00 0.00 C ATOM 1143 C TRP B 184 -4.262 -14.503 14.930 1.00 0.00 C ATOM 1144 O TRP B 184 -4.623 -14.627 13.759 1.00 0.00 O ATOM 1145 CB TRP B 184 -5.244 -16.725 15.502 1.00 0.00 C ATOM 1146 CG TRP B 184 -4.837 -18.148 15.733 1.00 0.00 C ATOM 1147 CD1 TRP B 184 -5.552 -19.108 16.389 1.00 0.00 C ATOM 1148 CD2 TRP B 184 -3.619 -18.772 15.312 1.00 0.00 C ATOM 1149 NE1 TRP B 184 -4.854 -20.291 16.402 1.00 0.00 N ATOM 1150 CE2 TRP B 184 -3.664 -20.110 15.747 1.00 0.00 C ATOM 1151 CE3 TRP B 184 -2.495 -18.329 14.609 1.00 0.00 C ATOM 1152 CZ2 TRP B 184 -2.629 -21.008 15.501 1.00 0.00 C ATOM 1153 CZ3 TRP B 184 -1.468 -19.221 14.366 1.00 0.00 C ATOM 1154 CH2 TRP B 184 -1.541 -20.547 14.810 1.00 0.00 C ATOM 0 H TRP B 184 -3.433 -15.567 17.811 1.00 0.00 H new ATOM 0 HA TRP B 184 -3.174 -16.180 15.692 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -6.129 -16.506 16.099 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -5.526 -16.601 14.457 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -6.525 -18.959 16.833 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -5.170 -21.162 16.829 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -2.430 -17.308 14.262 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -2.683 -22.031 15.843 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -0.594 -18.890 13.824 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -0.722 -21.220 14.603 1.00 0.00 H new ATOM 1165 N LYS B 185 -3.951 -13.330 15.471 1.00 0.00 N ATOM 1166 CA LYS B 185 -4.015 -12.085 14.709 1.00 0.00 C ATOM 1167 C LYS B 185 -3.331 -12.231 13.352 1.00 0.00 C ATOM 1168 O LYS B 185 -2.494 -13.114 13.157 1.00 0.00 O ATOM 1169 CB LYS B 185 -3.367 -10.946 15.500 1.00 0.00 C ATOM 1170 CG LYS B 185 -4.088 -9.617 15.351 1.00 0.00 C ATOM 1171 CD LYS B 185 -5.001 -9.343 16.535 1.00 0.00 C ATOM 1172 CE LYS B 185 -5.049 -7.861 16.871 1.00 0.00 C ATOM 1173 NZ LYS B 185 -5.284 -7.024 15.661 1.00 0.00 N ATOM 0 H LYS B 185 -3.651 -13.214 16.439 1.00 0.00 H new ATOM 0 HA LYS B 185 -5.066 -11.851 14.537 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -3.338 -11.218 16.555 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -2.334 -10.829 15.172 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -3.357 -8.813 15.260 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -4.674 -9.621 14.432 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -6.006 -9.699 16.310 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -4.651 -9.903 17.403 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -5.841 -7.679 17.598 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -4.111 -7.565 17.341 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -5.627 -6.085 15.949 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -4.394 -6.921 15.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -5.995 -7.481 15.056 1.00 0.00 H new ATOM 1187 N HIS B 186 -3.694 -11.360 12.417 1.00 0.00 N ATOM 1188 CA HIS B 186 -3.119 -11.391 11.076 1.00 0.00 C ATOM 1189 C HIS B 186 -1.860 -10.532 11.002 1.00 0.00 C ATOM 1190 O HIS B 186 -1.876 -9.357 11.367 1.00 0.00 O ATOM 1191 CB HIS B 186 -4.144 -10.901 10.051 1.00 0.00 C ATOM 1192 CG HIS B 186 -4.046 -11.594 8.728 1.00 0.00 C ATOM 1193 ND1 HIS B 186 -5.010 -11.484 7.748 1.00 0.00 N ATOM 1194 CD2 HIS B 186 -3.090 -12.410 8.224 1.00 0.00 C ATOM 1195 CE1 HIS B 186 -4.652 -12.202 6.699 1.00 0.00 C ATOM 1196 NE2 HIS B 186 -3.491 -12.773 6.962 1.00 0.00 N ATOM 0 H HIS B 186 -4.384 -10.623 12.562 1.00 0.00 H new ATOM 0 HA HIS B 186 -2.847 -12.421 10.848 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -5.146 -11.046 10.454 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -4.012 -9.829 9.901 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -2.182 -12.718 8.722 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -5.213 -12.305 5.782 1.00 0.00 H new ATOM 0 HE2 HIS B 186 -2.975 -13.385 6.330 1.00 0.00 H new ATOM 1205 N TRP B 187 -0.769 -11.129 10.524 1.00 0.00 N ATOM 1206 CA TRP B 187 0.502 -10.423 10.398 1.00 0.00 C ATOM 1207 C TRP B 187 0.305 -9.056 9.737 1.00 0.00 C ATOM 1208 O TRP B 187 0.076 -8.059 10.423 1.00 0.00 O ATOM 1209 CB TRP B 187 1.519 -11.266 9.609 1.00 0.00 C ATOM 1210 CG TRP B 187 0.912 -12.354 8.769 1.00 0.00 C ATOM 1211 CD1 TRP B 187 0.533 -12.271 7.459 1.00 0.00 C ATOM 1212 CD2 TRP B 187 0.620 -13.694 9.186 1.00 0.00 C ATOM 1213 NE1 TRP B 187 0.021 -13.474 7.039 1.00 0.00 N ATOM 1214 CE2 TRP B 187 0.063 -14.364 8.080 1.00 0.00 C ATOM 1215 CE3 TRP B 187 0.774 -14.392 10.388 1.00 0.00 C ATOM 1216 CZ2 TRP B 187 -0.338 -15.696 8.141 1.00 0.00 C ATOM 1217 CZ3 TRP B 187 0.376 -15.714 10.447 1.00 0.00 C ATOM 1218 CH2 TRP B 187 -0.174 -16.354 9.329 1.00 0.00 C ATOM 0 H TRP B 187 -0.742 -12.102 10.218 1.00 0.00 H new ATOM 0 HA TRP B 187 0.898 -10.261 11.401 1.00 0.00 H new ATOM 0 HB2 TRP B 187 2.095 -10.605 8.962 1.00 0.00 H new ATOM 0 HB3 TRP B 187 2.221 -11.716 10.311 1.00 0.00 H new ATOM 0 HD1 TRP B 187 0.623 -11.388 6.844 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -0.333 -13.673 6.103 1.00 0.00 H new ATOM 0 HE3 TRP B 187 1.197 -13.906 11.255 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -0.763 -16.192 7.281 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 0.491 -16.263 11.370 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -0.475 -17.388 9.407 1.00 0.00 H new ATOM 1229 N VAL B 188 0.385 -9.010 8.411 1.00 0.00 N ATOM 1230 CA VAL B 188 0.205 -7.765 7.681 1.00 0.00 C ATOM 1231 C VAL B 188 -1.277 -7.440 7.539 1.00 0.00 C ATOM 1232 O VAL B 188 -2.125 -8.097 8.144 1.00 0.00 O ATOM 1233 CB VAL B 188 0.850 -7.820 6.278 1.00 0.00 C ATOM 1234 CG1 VAL B 188 1.481 -6.482 5.937 1.00 0.00 C ATOM 1235 CG2 VAL B 188 1.881 -8.940 6.189 1.00 0.00 C ATOM 0 H VAL B 188 0.573 -9.821 7.822 1.00 0.00 H new ATOM 0 HA VAL B 188 0.702 -6.984 8.256 1.00 0.00 H new ATOM 0 HB VAL B 188 0.066 -8.032 5.551 1.00 0.00 H new ATOM 0 HG11 VAL B 188 1.932 -6.534 4.946 1.00 0.00 H new ATOM 0 HG12 VAL B 188 0.716 -5.706 5.947 1.00 0.00 H new ATOM 0 HG13 VAL B 188 2.249 -6.244 6.673 1.00 0.00 H new ATOM 0 HG21 VAL B 188 2.318 -8.954 5.190 1.00 0.00 H new ATOM 0 HG22 VAL B 188 2.666 -8.771 6.926 1.00 0.00 H new ATOM 0 HG23 VAL B 188 1.397 -9.896 6.387 1.00 0.00 H new ATOM 1245 N TYR B 189 -1.589 -6.422 6.743 1.00 0.00 N ATOM 1246 CA TYR B 189 -2.965 -6.016 6.532 1.00 0.00 C ATOM 1247 C TYR B 189 -3.484 -6.556 5.201 1.00 0.00 C ATOM 1248 O TYR B 189 -2.868 -7.435 4.598 1.00 0.00 O ATOM 1249 CB TYR B 189 -3.071 -4.490 6.563 1.00 0.00 C ATOM 1250 CG TYR B 189 -1.807 -3.780 7.003 1.00 0.00 C ATOM 1251 CD1 TYR B 189 -1.250 -4.018 8.253 1.00 0.00 C ATOM 1252 CD2 TYR B 189 -1.171 -2.873 6.163 1.00 0.00 C ATOM 1253 CE1 TYR B 189 -0.095 -3.372 8.655 1.00 0.00 C ATOM 1254 CE2 TYR B 189 -0.018 -2.223 6.557 1.00 0.00 C ATOM 1255 CZ TYR B 189 0.516 -2.475 7.804 1.00 0.00 C ATOM 1256 OH TYR B 189 1.665 -1.830 8.199 1.00 0.00 O ATOM 0 H TYR B 189 -0.902 -5.865 6.235 1.00 0.00 H new ATOM 0 HA TYR B 189 -3.578 -6.429 7.333 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -3.343 -4.137 5.568 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -3.883 -4.209 7.234 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -1.727 -4.719 8.922 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -1.586 -2.673 5.186 1.00 0.00 H new ATOM 0 HE1 TYR B 189 0.326 -3.569 9.630 1.00 0.00 H new ATOM 0 HE2 TYR B 189 0.463 -1.521 5.892 1.00 0.00 H new ATOM 0 HH TYR B 189 1.968 -1.233 7.483 1.00 0.00 H new ATOM 1266 N TYR B 190 -4.614 -6.027 4.745 1.00 0.00 N ATOM 1267 CA TYR B 190 -5.204 -6.462 3.484 1.00 0.00 C ATOM 1268 C TYR B 190 -5.894 -5.302 2.773 1.00 0.00 C ATOM 1269 O TYR B 190 -6.454 -4.413 3.414 1.00 0.00 O ATOM 1270 CB TYR B 190 -6.201 -7.599 3.729 1.00 0.00 C ATOM 1271 CG TYR B 190 -6.534 -8.414 2.493 1.00 0.00 C ATOM 1272 CD1 TYR B 190 -5.654 -8.490 1.418 1.00 0.00 C ATOM 1273 CD2 TYR B 190 -7.733 -9.111 2.406 1.00 0.00 C ATOM 1274 CE1 TYR B 190 -5.962 -9.234 0.295 1.00 0.00 C ATOM 1275 CE2 TYR B 190 -8.046 -9.857 1.286 1.00 0.00 C ATOM 1276 CZ TYR B 190 -7.157 -9.916 0.233 1.00 0.00 C ATOM 1277 OH TYR B 190 -7.465 -10.657 -0.884 1.00 0.00 O ATOM 0 H TYR B 190 -5.139 -5.298 5.228 1.00 0.00 H new ATOM 0 HA TYR B 190 -4.401 -6.826 2.842 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -5.795 -8.265 4.491 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -7.122 -7.178 4.132 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -4.715 -7.959 1.462 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -8.432 -9.069 3.228 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -5.268 -9.281 -0.531 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -8.983 -10.392 1.235 1.00 0.00 H new ATOM 0 HH TYR B 190 -7.266 -11.602 -0.715 1.00 0.00 H new ATOM 1287 N THR B 191 -5.843 -5.313 1.444 1.00 0.00 N ATOM 1288 CA THR B 191 -6.458 -4.258 0.644 1.00 0.00 C ATOM 1289 C THR B 191 -7.910 -4.593 0.308 1.00 0.00 C ATOM 1290 O THR B 191 -8.834 -4.038 0.901 1.00 0.00 O ATOM 1291 CB THR B 191 -5.657 -4.031 -0.643 1.00 0.00 C ATOM 1292 OG1 THR B 191 -4.435 -4.746 -0.608 1.00 0.00 O ATOM 1293 CG2 THR B 191 -5.327 -2.575 -0.892 1.00 0.00 C ATOM 0 H THR B 191 -5.382 -6.041 0.898 1.00 0.00 H new ATOM 0 HA THR B 191 -6.450 -3.342 1.234 1.00 0.00 H new ATOM 0 HB THR B 191 -6.300 -4.387 -1.448 1.00 0.00 H new ATOM 0 HG1 THR B 191 -3.939 -4.506 0.202 1.00 0.00 H new ATOM 0 HG21 THR B 191 -4.760 -2.484 -1.818 1.00 0.00 H new ATOM 0 HG22 THR B 191 -6.250 -2.002 -0.974 1.00 0.00 H new ATOM 0 HG23 THR B 191 -4.733 -2.190 -0.063 1.00 0.00 H new ATOM 1301 N CYS B 192 -8.104 -5.500 -0.650 1.00 0.00 N ATOM 1302 CA CYS B 192 -9.444 -5.908 -1.073 1.00 0.00 C ATOM 1303 C CYS B 192 -10.365 -6.114 0.092 1.00 0.00 C ATOM 1304 O CYS B 192 -9.946 -6.232 1.243 1.00 0.00 O ATOM 1305 CB CYS B 192 -9.394 -7.237 -1.860 1.00 0.00 C ATOM 1306 SG CYS B 192 -10.856 -8.368 -1.696 1.00 0.00 S ATOM 0 H CYS B 192 -7.347 -5.967 -1.149 1.00 0.00 H new ATOM 0 HA CYS B 192 -9.820 -5.099 -1.700 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -9.265 -7.001 -2.916 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -8.505 -7.784 -1.545 1.00 0.00 H new ATOM 1311 N CYS B 193 -11.619 -6.281 -0.264 1.00 0.00 N ATOM 1312 CA CYS B 193 -12.645 -6.624 0.691 1.00 0.00 C ATOM 1313 C CYS B 193 -12.492 -5.855 2.006 1.00 0.00 C ATOM 1314 O CYS B 193 -12.170 -6.438 3.042 1.00 0.00 O ATOM 1315 CB CYS B 193 -12.544 -8.141 0.918 1.00 0.00 C ATOM 1316 SG CYS B 193 -10.988 -8.911 0.280 1.00 0.00 S ATOM 0 H CYS B 193 -11.954 -6.183 -1.222 1.00 0.00 H new ATOM 0 HA CYS B 193 -13.626 -6.348 0.305 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -12.622 -8.342 1.987 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -13.396 -8.625 0.440 1.00 0.00 H new ATOM 1321 N PRO B 194 -12.722 -4.530 1.979 1.00 0.00 N ATOM 1322 CA PRO B 194 -12.607 -3.680 3.165 1.00 0.00 C ATOM 1323 C PRO B 194 -13.757 -3.889 4.144 1.00 0.00 C ATOM 1324 O PRO B 194 -13.571 -4.450 5.223 1.00 0.00 O ATOM 1325 CB PRO B 194 -12.637 -2.248 2.604 1.00 0.00 C ATOM 1326 CG PRO B 194 -12.578 -2.386 1.116 1.00 0.00 C ATOM 1327 CD PRO B 194 -13.104 -3.755 0.795 1.00 0.00 C ATOM 0 HA PRO B 194 -11.703 -3.906 3.730 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -13.544 -1.727 2.912 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -11.794 -1.666 2.975 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -13.178 -1.616 0.631 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -11.556 -2.268 0.755 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -14.184 -3.750 0.645 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -12.658 -4.158 -0.114 1.00 0.00 H new ATOM 1335 N ASP B 195 -14.948 -3.432 3.758 1.00 0.00 N ATOM 1336 CA ASP B 195 -16.139 -3.563 4.599 1.00 0.00 C ATOM 1337 C ASP B 195 -17.282 -2.684 4.091 1.00 0.00 C ATOM 1338 O ASP B 195 -18.445 -2.925 4.414 1.00 0.00 O ATOM 1339 CB ASP B 195 -15.816 -3.202 6.054 1.00 0.00 C ATOM 1340 CG ASP B 195 -15.716 -4.426 6.941 1.00 0.00 C ATOM 1341 OD1 ASP B 195 -15.506 -5.534 6.404 1.00 0.00 O ATOM 1342 OD2 ASP B 195 -15.846 -4.278 8.175 1.00 0.00 O ATOM 0 H ASP B 195 -15.115 -2.966 2.866 1.00 0.00 H new ATOM 0 HA ASP B 195 -16.459 -4.604 4.550 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -14.875 -2.652 6.089 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -16.588 -2.537 6.441 1.00 0.00 H new ATOM 1347 N THR B 196 -16.953 -1.664 3.301 1.00 0.00 N ATOM 1348 CA THR B 196 -17.968 -0.764 2.769 1.00 0.00 C ATOM 1349 C THR B 196 -18.696 -1.361 1.568 1.00 0.00 C ATOM 1350 O THR B 196 -19.821 -0.953 1.284 1.00 0.00 O ATOM 1351 CB THR B 196 -17.359 0.593 2.407 1.00 0.00 C ATOM 1352 OG1 THR B 196 -15.987 0.456 2.083 1.00 0.00 O ATOM 1353 CG2 THR B 196 -17.466 1.612 3.520 1.00 0.00 C ATOM 0 H THR B 196 -15.998 -1.443 3.018 1.00 0.00 H new ATOM 0 HA THR B 196 -18.707 -0.618 3.557 1.00 0.00 H new ATOM 0 HB THR B 196 -17.934 0.949 1.552 1.00 0.00 H new ATOM 0 HG1 THR B 196 -15.616 1.333 1.853 1.00 0.00 H new ATOM 0 HG21 THR B 196 -17.016 2.551 3.198 1.00 0.00 H new ATOM 0 HG22 THR B 196 -18.516 1.777 3.762 1.00 0.00 H new ATOM 0 HG23 THR B 196 -16.944 1.243 4.403 1.00 0.00 H new ATOM 1361 N PRO B 197 -18.122 -2.363 0.862 1.00 0.00 N ATOM 1362 CA PRO B 197 -18.825 -3.007 -0.254 1.00 0.00 C ATOM 1363 C PRO B 197 -20.071 -3.726 0.271 1.00 0.00 C ATOM 1364 O PRO B 197 -20.552 -4.698 -0.314 1.00 0.00 O ATOM 1365 CB PRO B 197 -17.812 -4.020 -0.805 1.00 0.00 C ATOM 1366 CG PRO B 197 -16.499 -3.636 -0.211 1.00 0.00 C ATOM 1367 CD PRO B 197 -16.809 -2.979 1.104 1.00 0.00 C ATOM 0 HA PRO B 197 -19.158 -2.301 -1.015 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -18.085 -5.038 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -17.775 -3.985 -1.894 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -15.865 -4.511 -0.069 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -15.959 -2.955 -0.869 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -16.846 -3.703 1.918 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -16.057 -2.236 1.372 1.00 0.00 H new ATOM 1375 N TYR B 198 -20.555 -3.228 1.407 1.00 0.00 N ATOM 1376 CA TYR B 198 -21.704 -3.752 2.108 1.00 0.00 C ATOM 1377 C TYR B 198 -23.007 -3.282 1.468 1.00 0.00 C ATOM 1378 O TYR B 198 -23.612 -4.071 0.713 1.00 0.00 O ATOM 1379 CB TYR B 198 -21.617 -3.266 3.559 1.00 0.00 C ATOM 1380 CG TYR B 198 -22.505 -4.024 4.519 1.00 0.00 C ATOM 1381 CD1 TYR B 198 -22.606 -5.408 4.458 1.00 0.00 C ATOM 1382 CD2 TYR B 198 -23.241 -3.354 5.489 1.00 0.00 C ATOM 1383 CE1 TYR B 198 -23.415 -6.104 5.335 1.00 0.00 C ATOM 1384 CE2 TYR B 198 -24.052 -4.043 6.371 1.00 0.00 C ATOM 1385 CZ TYR B 198 -24.135 -5.417 6.289 1.00 0.00 C ATOM 1386 OH TYR B 198 -24.943 -6.108 7.165 1.00 0.00 O ATOM 0 H TYR B 198 -20.138 -2.422 1.872 1.00 0.00 H new ATOM 0 HA TYR B 198 -21.702 -4.841 2.062 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -20.584 -3.347 3.896 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -21.882 -2.209 3.593 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -22.042 -5.949 3.712 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -23.178 -2.278 5.555 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -23.483 -7.180 5.274 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -24.617 -3.508 7.120 1.00 0.00 H new ATOM 0 HH TYR B 198 -25.380 -5.477 7.774 1.00 0.00 H new TER 1396 TYR B 198