USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 665 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 26 THR OG1 : rot 19:sc= -0.0967 USER MOD Set 1.2: A 75 MET CE :methyl -157:sc= -3.76 (180deg=-4.69!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.00514 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= -0.945 (180deg=-1.09) USER MOD Single : A 17 SER OG : rot 43:sc= 0.328 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -0.421 K(o=-0.42,f=-3.5!) USER MOD Single : A 22 TYR OH : rot -164:sc= -0.0442 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.481 F(o=-1.2,f=-0.48) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -42:sc= 0.777 USER MOD Single : A 41 ASN : amide:sc= -2.25! C(o=-2.2!,f=-2.1!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -30:sc= -1.37 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.188 K(o=-0.19,f=-3.2!) USER MOD Single : A 56 GLN : amide:sc= -5.32! C(o=-5.3!,f=-9.7!) USER MOD Single : A 57 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -3.04! C(o=-4.1!,f=-3!) USER MOD Single : A 60 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.43) USER MOD Single : A 61 GLN :FLIP amide:sc= -3.97 F(o=-11!,f=-4) USER MOD Single : A 63 GLN : amide:sc= -1.62 K(o=-1.6,f=-4.1!) USER MOD Single : A 64 TYR OH : rot 15:sc= -1.12 USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= -0.0732 (180deg=-0.475) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 54:sc= 0.337 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.927 K(o=-0.93,f=-4.8!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 49:sc= 0.479 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.923 18.425 5.960 1.00 0.00 N ATOM 2 CA GLY A 1 8.686 18.675 6.677 1.00 0.00 C ATOM 3 C GLY A 1 7.460 18.310 5.864 1.00 0.00 C ATOM 4 O GLY A 1 7.452 17.300 5.160 1.00 0.00 O ATOM 0 H1 GLY A 1 10.582 17.907 6.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.724 17.858 5.111 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.350 19.330 5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.686 18.103 7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.635 19.729 6.952 1.00 0.00 H new ATOM 8 N SER A 2 6.422 19.134 5.960 1.00 0.00 N ATOM 9 CA SER A 2 5.182 18.890 5.232 1.00 0.00 C ATOM 10 C SER A 2 4.791 20.109 4.402 1.00 0.00 C ATOM 11 O SER A 2 5.054 21.248 4.789 1.00 0.00 O ATOM 12 CB SER A 2 4.055 18.538 6.204 1.00 0.00 C ATOM 13 OG SER A 2 4.170 17.199 6.655 1.00 0.00 O ATOM 0 H SER A 2 6.415 19.977 6.535 1.00 0.00 H new ATOM 0 HA SER A 2 5.345 18.049 4.557 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.081 19.216 7.057 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.091 18.679 5.715 1.00 0.00 H new ATOM 0 HG SER A 2 3.439 16.999 7.276 1.00 0.00 H new ATOM 19 N SER A 3 4.161 19.861 3.258 1.00 0.00 N ATOM 20 CA SER A 3 3.737 20.937 2.370 1.00 0.00 C ATOM 21 C SER A 3 2.450 21.583 2.876 1.00 0.00 C ATOM 22 O SER A 3 2.383 22.797 3.061 1.00 0.00 O ATOM 23 CB SER A 3 3.530 20.405 0.951 1.00 0.00 C ATOM 24 OG SER A 3 3.674 21.439 -0.007 1.00 0.00 O ATOM 0 H SER A 3 3.933 18.924 2.924 1.00 0.00 H new ATOM 0 HA SER A 3 4.522 21.693 2.355 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.251 19.613 0.747 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.538 19.962 0.866 1.00 0.00 H new ATOM 0 HG SER A 3 3.539 21.073 -0.906 1.00 0.00 H new ATOM 30 N GLY A 4 1.429 20.760 3.098 1.00 0.00 N ATOM 31 CA GLY A 4 0.158 21.267 3.580 1.00 0.00 C ATOM 32 C GLY A 4 -0.766 21.681 2.452 1.00 0.00 C ATOM 33 O GLY A 4 -0.378 22.448 1.571 1.00 0.00 O ATOM 0 H GLY A 4 1.460 19.751 2.952 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.330 20.501 4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.335 22.122 4.233 1.00 0.00 H new ATOM 37 N SER A 5 -1.993 21.170 2.476 1.00 0.00 N ATOM 38 CA SER A 5 -2.974 21.486 1.445 1.00 0.00 C ATOM 39 C SER A 5 -4.348 20.935 1.814 1.00 0.00 C ATOM 40 O SER A 5 -4.463 20.018 2.627 1.00 0.00 O ATOM 41 CB SER A 5 -2.529 20.916 0.096 1.00 0.00 C ATOM 42 OG SER A 5 -3.186 21.570 -0.975 1.00 0.00 O ATOM 0 H SER A 5 -2.331 20.535 3.199 1.00 0.00 H new ATOM 0 HA SER A 5 -3.046 22.571 1.368 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.450 21.028 -0.012 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.743 19.848 0.060 1.00 0.00 H new ATOM 0 HG SER A 5 -2.883 21.189 -1.826 1.00 0.00 H new ATOM 48 N SER A 6 -5.388 21.502 1.211 1.00 0.00 N ATOM 49 CA SER A 6 -6.755 21.072 1.478 1.00 0.00 C ATOM 50 C SER A 6 -6.977 19.640 1.000 1.00 0.00 C ATOM 51 O SER A 6 -7.314 19.407 -0.160 1.00 0.00 O ATOM 52 CB SER A 6 -7.751 22.010 0.794 1.00 0.00 C ATOM 53 OG SER A 6 -7.722 23.300 1.381 1.00 0.00 O ATOM 0 H SER A 6 -5.310 22.261 0.534 1.00 0.00 H new ATOM 0 HA SER A 6 -6.916 21.107 2.555 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.515 22.085 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.756 21.595 0.869 1.00 0.00 H new ATOM 0 HG SER A 6 -8.366 23.881 0.925 1.00 0.00 H new ATOM 59 N GLY A 7 -6.785 18.684 1.904 1.00 0.00 N ATOM 60 CA GLY A 7 -6.968 17.287 1.557 1.00 0.00 C ATOM 61 C GLY A 7 -6.364 16.350 2.584 1.00 0.00 C ATOM 62 O GLY A 7 -5.453 16.730 3.320 1.00 0.00 O ATOM 0 H GLY A 7 -6.506 18.852 2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.033 17.077 1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.515 17.095 0.584 1.00 0.00 H new ATOM 66 N ILE A 8 -6.873 15.124 2.635 1.00 0.00 N ATOM 67 CA ILE A 8 -6.378 14.131 3.580 1.00 0.00 C ATOM 68 C ILE A 8 -5.161 13.401 3.023 1.00 0.00 C ATOM 69 O ILE A 8 -5.018 13.249 1.810 1.00 0.00 O ATOM 70 CB ILE A 8 -7.465 13.099 3.933 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.802 13.799 4.188 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.048 12.285 5.149 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.976 12.850 4.267 1.00 0.00 C ATOM 0 H ILE A 8 -7.628 14.795 2.033 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.093 14.670 4.484 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.587 12.420 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.737 14.361 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.982 14.521 3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.827 11.560 5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.117 11.760 4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.901 12.951 6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.890 13.416 4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.068 12.306 3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.818 12.143 5.082 1.00 0.00 H new ATOM 85 N GLU A 9 -4.288 12.948 3.918 1.00 0.00 N ATOM 86 CA GLU A 9 -3.084 12.232 3.515 1.00 0.00 C ATOM 87 C GLU A 9 -3.241 10.731 3.742 1.00 0.00 C ATOM 88 O GLU A 9 -4.173 10.288 4.414 1.00 0.00 O ATOM 89 CB GLU A 9 -1.871 12.752 4.290 1.00 0.00 C ATOM 90 CG GLU A 9 -1.537 14.205 3.995 1.00 0.00 C ATOM 91 CD GLU A 9 -1.369 14.475 2.512 1.00 0.00 C ATOM 92 OE1 GLU A 9 -1.119 13.511 1.759 1.00 0.00 O ATOM 93 OE2 GLU A 9 -1.487 15.649 2.105 1.00 0.00 O ATOM 0 H GLU A 9 -4.392 13.064 4.926 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.928 12.406 2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.058 12.641 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.006 12.133 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.328 14.843 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.619 14.476 4.516 1.00 0.00 H new ATOM 100 N CYS A 10 -2.324 9.954 3.176 1.00 0.00 N ATOM 101 CA CYS A 10 -2.359 8.503 3.315 1.00 0.00 C ATOM 102 C CYS A 10 -1.718 8.066 4.628 1.00 0.00 C ATOM 103 O CYS A 10 -0.568 8.402 4.912 1.00 0.00 O ATOM 104 CB CYS A 10 -1.641 7.840 2.138 1.00 0.00 C ATOM 105 SG CYS A 10 -1.701 6.019 2.161 1.00 0.00 S ATOM 0 H CYS A 10 -1.547 10.305 2.616 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.403 8.189 3.319 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.085 8.196 1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.599 8.159 2.136 1.00 0.00 H new ATOM 110 N VAL A 11 -2.470 7.315 5.427 1.00 0.00 N ATOM 111 CA VAL A 11 -1.975 6.831 6.710 1.00 0.00 C ATOM 112 C VAL A 11 -0.986 5.686 6.521 1.00 0.00 C ATOM 113 O VAL A 11 -0.567 5.048 7.486 1.00 0.00 O ATOM 114 CB VAL A 11 -3.129 6.354 7.612 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.993 7.530 8.040 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.963 5.301 6.899 1.00 0.00 C ATOM 0 H VAL A 11 -3.424 7.029 5.208 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.469 7.668 7.191 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.703 5.901 8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.803 7.174 8.677 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.385 8.246 8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.411 8.014 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.773 4.976 7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.380 5.725 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.334 4.447 6.649 1.00 0.00 H new ATOM 126 N VAL A 12 -0.616 5.431 5.270 1.00 0.00 N ATOM 127 CA VAL A 12 0.325 4.364 4.953 1.00 0.00 C ATOM 128 C VAL A 12 1.631 4.928 4.404 1.00 0.00 C ATOM 129 O VAL A 12 2.714 4.600 4.889 1.00 0.00 O ATOM 130 CB VAL A 12 -0.267 3.379 3.927 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.735 2.282 3.601 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.568 2.787 4.448 1.00 0.00 C ATOM 0 H VAL A 12 -0.954 5.949 4.459 1.00 0.00 H new ATOM 0 HA VAL A 12 0.524 3.832 5.883 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.484 3.924 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.300 1.596 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.638 2.727 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.986 1.736 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.973 2.093 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.378 2.256 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.286 3.587 4.626 1.00 0.00 H new ATOM 142 N CYS A 13 1.521 5.780 3.390 1.00 0.00 N ATOM 143 CA CYS A 13 2.693 6.391 2.774 1.00 0.00 C ATOM 144 C CYS A 13 2.667 7.907 2.943 1.00 0.00 C ATOM 145 O CYS A 13 3.680 8.580 2.755 1.00 0.00 O ATOM 146 CB CYS A 13 2.758 6.033 1.287 1.00 0.00 C ATOM 147 SG CYS A 13 1.326 6.609 0.320 1.00 0.00 S ATOM 0 H CYS A 13 0.632 6.063 2.977 1.00 0.00 H new ATOM 0 HA CYS A 13 3.580 6.002 3.274 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.666 6.460 0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.838 4.950 1.188 1.00 0.00 H new ATOM 152 N GLY A 14 1.502 8.438 3.299 1.00 0.00 N ATOM 153 CA GLY A 14 1.366 9.871 3.488 1.00 0.00 C ATOM 154 C GLY A 14 0.788 10.564 2.270 1.00 0.00 C ATOM 155 O GLY A 14 0.345 11.709 2.351 1.00 0.00 O ATOM 0 H GLY A 14 0.649 7.902 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.725 10.062 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.342 10.299 3.716 1.00 0.00 H new ATOM 159 N ASP A 15 0.794 9.869 1.138 1.00 0.00 N ATOM 160 CA ASP A 15 0.267 10.424 -0.103 1.00 0.00 C ATOM 161 C ASP A 15 -1.158 10.934 0.091 1.00 0.00 C ATOM 162 O ASP A 15 -1.957 10.320 0.799 1.00 0.00 O ATOM 163 CB ASP A 15 0.298 9.372 -1.212 1.00 0.00 C ATOM 164 CG ASP A 15 -0.177 9.919 -2.544 1.00 0.00 C ATOM 165 OD1 ASP A 15 -1.219 10.607 -2.565 1.00 0.00 O ATOM 166 OD2 ASP A 15 0.494 9.660 -3.565 1.00 0.00 O ATOM 0 H ASP A 15 1.158 8.920 1.054 1.00 0.00 H new ATOM 0 HA ASP A 15 0.898 11.264 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.314 8.992 -1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.329 8.528 -0.925 1.00 0.00 H new ATOM 171 N LYS A 16 -1.470 12.060 -0.541 1.00 0.00 N ATOM 172 CA LYS A 16 -2.798 12.654 -0.438 1.00 0.00 C ATOM 173 C LYS A 16 -3.881 11.599 -0.636 1.00 0.00 C ATOM 174 O LYS A 16 -4.154 11.178 -1.761 1.00 0.00 O ATOM 175 CB LYS A 16 -2.962 13.769 -1.473 1.00 0.00 C ATOM 176 CG LYS A 16 -4.062 14.759 -1.131 1.00 0.00 C ATOM 177 CD LYS A 16 -3.652 15.676 0.009 1.00 0.00 C ATOM 178 CE LYS A 16 -2.737 16.791 -0.474 1.00 0.00 C ATOM 179 NZ LYS A 16 -3.501 17.895 -1.119 1.00 0.00 N ATOM 0 H LYS A 16 -0.821 12.580 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.904 13.076 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.018 14.306 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.175 13.323 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.302 15.356 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.967 14.218 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.541 16.107 0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.145 15.096 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.170 17.186 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.015 16.387 -1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.838 18.586 -1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.101 17.507 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.099 18.365 -0.409 1.00 0.00 H new ATOM 193 N SER A 17 -4.498 11.176 0.463 1.00 0.00 N ATOM 194 CA SER A 17 -5.551 10.169 0.410 1.00 0.00 C ATOM 195 C SER A 17 -6.658 10.590 -0.552 1.00 0.00 C ATOM 196 O SER A 17 -6.932 11.778 -0.717 1.00 0.00 O ATOM 197 CB SER A 17 -6.133 9.935 1.805 1.00 0.00 C ATOM 198 OG SER A 17 -7.329 9.178 1.739 1.00 0.00 O ATOM 0 H SER A 17 -4.286 11.515 1.401 1.00 0.00 H new ATOM 0 HA SER A 17 -5.113 9.240 0.047 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.403 9.414 2.424 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.332 10.893 2.285 1.00 0.00 H new ATOM 0 HG SER A 17 -7.216 8.443 1.100 1.00 0.00 H new ATOM 204 N SER A 18 -7.290 9.606 -1.183 1.00 0.00 N ATOM 205 CA SER A 18 -8.365 9.874 -2.132 1.00 0.00 C ATOM 206 C SER A 18 -9.722 9.849 -1.436 1.00 0.00 C ATOM 207 O SER A 18 -10.695 10.421 -1.926 1.00 0.00 O ATOM 208 CB SER A 18 -8.341 8.846 -3.265 1.00 0.00 C ATOM 209 OG SER A 18 -9.186 9.242 -4.331 1.00 0.00 O ATOM 0 H SER A 18 -7.077 8.617 -1.055 1.00 0.00 H new ATOM 0 HA SER A 18 -8.209 10.869 -2.550 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.321 8.727 -3.630 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.659 7.875 -2.886 1.00 0.00 H new ATOM 0 HG SER A 18 -9.152 8.569 -5.043 1.00 0.00 H new ATOM 215 N GLY A 19 -9.780 9.180 -0.288 1.00 0.00 N ATOM 216 CA GLY A 19 -11.022 9.092 0.458 1.00 0.00 C ATOM 217 C GLY A 19 -10.946 8.090 1.593 1.00 0.00 C ATOM 218 O GLY A 19 -9.872 7.576 1.908 1.00 0.00 O ATOM 0 H GLY A 19 -8.989 8.698 0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.271 10.074 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.829 8.810 -0.218 1.00 0.00 H new ATOM 222 N LYS A 20 -12.089 7.813 2.212 1.00 0.00 N ATOM 223 CA LYS A 20 -12.149 6.867 3.320 1.00 0.00 C ATOM 224 C LYS A 20 -12.321 5.440 2.809 1.00 0.00 C ATOM 225 O LYS A 20 -13.423 4.890 2.832 1.00 0.00 O ATOM 226 CB LYS A 20 -13.301 7.225 4.261 1.00 0.00 C ATOM 227 CG LYS A 20 -13.454 6.265 5.428 1.00 0.00 C ATOM 228 CD LYS A 20 -14.244 6.891 6.566 1.00 0.00 C ATOM 229 CE LYS A 20 -13.352 7.729 7.468 1.00 0.00 C ATOM 230 NZ LYS A 20 -13.919 7.864 8.839 1.00 0.00 N ATOM 0 H LYS A 20 -12.986 8.230 1.965 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.208 6.927 3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.143 8.232 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.231 7.244 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.956 5.358 5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.469 5.968 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.040 7.515 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.723 6.107 7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.364 7.273 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.220 8.719 7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.281 8.442 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.851 8.323 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.021 6.922 9.267 1.00 0.00 H new ATOM 244 N HIS A 21 -11.225 4.845 2.348 1.00 0.00 N ATOM 245 CA HIS A 21 -11.255 3.481 1.832 1.00 0.00 C ATOM 246 C HIS A 21 -11.043 2.471 2.956 1.00 0.00 C ATOM 247 O HIS A 21 -10.143 2.626 3.781 1.00 0.00 O ATOM 248 CB HIS A 21 -10.185 3.296 0.756 1.00 0.00 C ATOM 249 CG HIS A 21 -10.213 4.355 -0.304 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.371 4.762 -0.931 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.215 5.092 -0.844 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.084 5.703 -1.813 1.00 0.00 C ATOM 253 NE2 HIS A 21 -9.782 5.922 -1.780 1.00 0.00 N ATOM 0 H HIS A 21 -10.306 5.286 2.321 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.236 3.307 1.391 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.203 3.292 1.229 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.317 2.321 0.288 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -12.304 4.394 -0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.167 5.038 -0.587 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.794 6.207 -2.452 1.00 0.00 H new ATOM 261 N TYR A 22 -11.877 1.438 2.981 1.00 0.00 N ATOM 262 CA TYR A 22 -11.782 0.404 4.005 1.00 0.00 C ATOM 263 C TYR A 22 -11.832 1.015 5.402 1.00 0.00 C ATOM 264 O TYR A 22 -11.144 0.561 6.316 1.00 0.00 O ATOM 265 CB TYR A 22 -10.491 -0.397 3.833 1.00 0.00 C ATOM 266 CG TYR A 22 -10.202 -0.780 2.399 1.00 0.00 C ATOM 267 CD1 TYR A 22 -11.018 -1.676 1.720 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.113 -0.244 1.722 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.758 -2.028 0.410 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.845 -0.590 0.412 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.670 -1.483 -0.240 1.00 0.00 C ATOM 272 OH TYR A 22 -9.408 -1.830 -1.545 1.00 0.00 O ATOM 0 H TYR A 22 -12.626 1.294 2.304 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.635 -0.265 3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.656 0.188 4.219 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.552 -1.302 4.437 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.871 -2.105 2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.465 0.455 2.229 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.403 -2.726 -0.103 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.994 -0.164 -0.099 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.493 -1.567 -1.776 1.00 0.00 H new ATOM 282 N GLY A 23 -12.654 2.049 5.560 1.00 0.00 N ATOM 283 CA GLY A 23 -12.780 2.706 6.848 1.00 0.00 C ATOM 284 C GLY A 23 -11.502 3.402 7.271 1.00 0.00 C ATOM 285 O GLY A 23 -11.266 3.610 8.461 1.00 0.00 O ATOM 0 H GLY A 23 -13.234 2.443 4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.589 3.435 6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.056 1.970 7.603 1.00 0.00 H new ATOM 289 N GLN A 24 -10.675 3.762 6.295 1.00 0.00 N ATOM 290 CA GLN A 24 -9.413 4.437 6.574 1.00 0.00 C ATOM 291 C GLN A 24 -8.999 5.324 5.404 1.00 0.00 C ATOM 292 O GLN A 24 -9.132 4.938 4.243 1.00 0.00 O ATOM 293 CB GLN A 24 -8.315 3.412 6.866 1.00 0.00 C ATOM 294 CG GLN A 24 -7.240 3.924 7.810 1.00 0.00 C ATOM 295 CD GLN A 24 -7.815 4.577 9.051 1.00 0.00 C ATOM 296 OE1 GLN A 24 -8.295 3.761 9.982 1.00 0.00 O flip ATOM 297 NE2 GLN A 24 -7.828 5.803 9.171 1.00 0.00 N flip ATOM 0 H GLN A 24 -10.856 3.598 5.305 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.554 5.068 7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.768 2.519 7.296 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.850 3.113 5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.597 3.095 8.105 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.612 4.643 7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.448 6.392 8.430 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.219 6.229 10.011 1.00 0.00 H new ATOM 306 N PHE A 25 -8.497 6.513 5.718 1.00 0.00 N ATOM 307 CA PHE A 25 -8.065 7.456 4.693 1.00 0.00 C ATOM 308 C PHE A 25 -6.727 7.033 4.095 1.00 0.00 C ATOM 309 O PHE A 25 -5.686 7.124 4.747 1.00 0.00 O ATOM 310 CB PHE A 25 -7.953 8.865 5.280 1.00 0.00 C ATOM 311 CG PHE A 25 -9.281 9.486 5.606 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.250 9.633 4.627 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.559 9.924 6.891 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.474 10.205 4.924 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.780 10.495 7.193 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.738 10.637 6.209 1.00 0.00 C ATOM 0 H PHE A 25 -8.379 6.847 6.675 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.812 7.460 3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.347 8.826 6.185 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.426 9.504 4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.048 9.297 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.813 9.818 7.665 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.222 10.314 4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.985 10.830 8.199 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.692 11.085 6.444 1.00 0.00 H new ATOM 326 N THR A 26 -6.761 6.570 2.849 1.00 0.00 N ATOM 327 CA THR A 26 -5.553 6.132 2.163 1.00 0.00 C ATOM 328 C THR A 26 -5.569 6.553 0.698 1.00 0.00 C ATOM 329 O THR A 26 -6.632 6.765 0.114 1.00 0.00 O ATOM 330 CB THR A 26 -5.384 4.603 2.244 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.570 3.953 1.773 1.00 0.00 O ATOM 332 CG2 THR A 26 -5.093 4.166 3.672 1.00 0.00 C ATOM 0 H THR A 26 -7.613 6.489 2.295 1.00 0.00 H new ATOM 0 HA THR A 26 -4.713 6.610 2.666 1.00 0.00 H new ATOM 0 HB THR A 26 -4.541 4.319 1.615 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.096 4.581 1.236 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.978 3.083 3.705 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.174 4.639 4.017 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.919 4.462 4.319 1.00 0.00 H new ATOM 340 N CYS A 27 -4.384 6.671 0.108 1.00 0.00 N ATOM 341 CA CYS A 27 -4.262 7.066 -1.290 1.00 0.00 C ATOM 342 C CYS A 27 -4.703 5.936 -2.216 1.00 0.00 C ATOM 343 O CYS A 27 -5.013 4.835 -1.762 1.00 0.00 O ATOM 344 CB CYS A 27 -2.818 7.463 -1.605 1.00 0.00 C ATOM 345 SG CYS A 27 -1.640 6.074 -1.568 1.00 0.00 S ATOM 0 H CYS A 27 -3.495 6.499 0.577 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.913 7.924 -1.457 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.787 7.926 -2.591 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.495 8.218 -0.888 1.00 0.00 H new ATOM 350 N GLU A 28 -4.728 6.218 -3.514 1.00 0.00 N ATOM 351 CA GLU A 28 -5.132 5.226 -4.503 1.00 0.00 C ATOM 352 C GLU A 28 -4.059 4.153 -4.668 1.00 0.00 C ATOM 353 O GLU A 28 -4.352 3.018 -5.039 1.00 0.00 O ATOM 354 CB GLU A 28 -5.408 5.898 -5.850 1.00 0.00 C ATOM 355 CG GLU A 28 -6.643 6.783 -5.847 1.00 0.00 C ATOM 356 CD GLU A 28 -7.203 7.007 -7.238 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.415 7.341 -8.148 1.00 0.00 O ATOM 358 OE2 GLU A 28 -8.429 6.849 -7.418 1.00 0.00 O ATOM 0 H GLU A 28 -4.473 7.125 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.046 4.750 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.542 6.498 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.525 5.129 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.410 6.328 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.395 7.746 -5.400 1.00 0.00 H new ATOM 365 N GLY A 29 -2.813 4.524 -4.389 1.00 0.00 N ATOM 366 CA GLY A 29 -1.714 3.584 -4.512 1.00 0.00 C ATOM 367 C GLY A 29 -1.785 2.472 -3.484 1.00 0.00 C ATOM 368 O GLY A 29 -1.503 1.313 -3.792 1.00 0.00 O ATOM 0 H GLY A 29 -2.545 5.458 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.720 3.151 -5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.770 4.117 -4.402 1.00 0.00 H new ATOM 372 N CYS A 30 -2.159 2.823 -2.259 1.00 0.00 N ATOM 373 CA CYS A 30 -2.264 1.847 -1.181 1.00 0.00 C ATOM 374 C CYS A 30 -3.639 1.186 -1.178 1.00 0.00 C ATOM 375 O CYS A 30 -3.769 -0.002 -0.879 1.00 0.00 O ATOM 376 CB CYS A 30 -2.006 2.518 0.169 1.00 0.00 C ATOM 377 SG CYS A 30 -0.363 3.292 0.313 1.00 0.00 S ATOM 0 H CYS A 30 -2.395 3.777 -1.987 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.510 1.077 -1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.770 3.278 0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.116 1.775 0.959 1.00 0.00 H new ATOM 382 N LYS A 31 -4.664 1.962 -1.512 1.00 0.00 N ATOM 383 CA LYS A 31 -6.030 1.453 -1.550 1.00 0.00 C ATOM 384 C LYS A 31 -6.084 0.092 -2.236 1.00 0.00 C ATOM 385 O LYS A 31 -6.656 -0.859 -1.704 1.00 0.00 O ATOM 386 CB LYS A 31 -6.944 2.441 -2.279 1.00 0.00 C ATOM 387 CG LYS A 31 -8.331 1.891 -2.562 1.00 0.00 C ATOM 388 CD LYS A 31 -8.930 2.506 -3.815 1.00 0.00 C ATOM 389 CE LYS A 31 -8.232 2.007 -5.070 1.00 0.00 C ATOM 390 NZ LYS A 31 -9.039 2.265 -6.295 1.00 0.00 N ATOM 0 H LYS A 31 -4.575 2.947 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.377 1.337 -0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.037 3.347 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.477 2.728 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.278 0.808 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.983 2.089 -1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.992 2.265 -3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.852 3.592 -3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.262 2.496 -5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.042 0.937 -4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.528 1.910 -7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.955 1.778 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.199 3.288 -6.397 1.00 0.00 H new ATOM 404 N SER A 32 -5.485 0.007 -3.420 1.00 0.00 N ATOM 405 CA SER A 32 -5.468 -1.238 -4.180 1.00 0.00 C ATOM 406 C SER A 32 -4.441 -2.210 -3.607 1.00 0.00 C ATOM 407 O SER A 32 -4.720 -3.397 -3.438 1.00 0.00 O ATOM 408 CB SER A 32 -5.156 -0.957 -5.651 1.00 0.00 C ATOM 409 OG SER A 32 -6.316 -0.530 -6.345 1.00 0.00 O ATOM 0 H SER A 32 -5.005 0.785 -3.873 1.00 0.00 H new ATOM 0 HA SER A 32 -6.455 -1.694 -4.106 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.383 -0.192 -5.723 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.758 -1.857 -6.120 1.00 0.00 H new ATOM 0 HG SER A 32 -6.090 -0.355 -7.283 1.00 0.00 H new ATOM 415 N PHE A 33 -3.252 -1.697 -3.310 1.00 0.00 N ATOM 416 CA PHE A 33 -2.181 -2.518 -2.757 1.00 0.00 C ATOM 417 C PHE A 33 -2.681 -3.334 -1.568 1.00 0.00 C ATOM 418 O PHE A 33 -2.281 -4.483 -1.377 1.00 0.00 O ATOM 419 CB PHE A 33 -1.005 -1.639 -2.328 1.00 0.00 C ATOM 420 CG PHE A 33 0.083 -2.397 -1.621 1.00 0.00 C ATOM 421 CD1 PHE A 33 -0.056 -2.751 -0.289 1.00 0.00 C ATOM 422 CD2 PHE A 33 1.244 -2.753 -2.288 1.00 0.00 C ATOM 423 CE1 PHE A 33 0.943 -3.448 0.365 1.00 0.00 C ATOM 424 CE2 PHE A 33 2.245 -3.451 -1.639 1.00 0.00 C ATOM 425 CZ PHE A 33 2.095 -3.798 -0.311 1.00 0.00 C ATOM 0 H PHE A 33 -3.005 -0.716 -3.443 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.846 -3.206 -3.533 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.585 -1.153 -3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.372 -0.849 -1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.955 -2.479 0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.368 -2.482 -3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.822 -3.718 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.144 -3.725 -2.171 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.877 -4.342 0.198 1.00 0.00 H new ATOM 435 N PHE A 34 -3.557 -2.732 -0.771 1.00 0.00 N ATOM 436 CA PHE A 34 -4.111 -3.400 0.401 1.00 0.00 C ATOM 437 C PHE A 34 -5.066 -4.517 -0.011 1.00 0.00 C ATOM 438 O PHE A 34 -5.000 -5.630 0.510 1.00 0.00 O ATOM 439 CB PHE A 34 -4.840 -2.393 1.292 1.00 0.00 C ATOM 440 CG PHE A 34 -5.574 -3.028 2.439 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.882 -3.685 3.443 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.956 -2.969 2.511 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.554 -4.270 4.499 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.634 -3.552 3.566 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.932 -4.204 4.560 1.00 0.00 C ATOM 0 H PHE A 34 -3.899 -1.782 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.286 -3.839 0.962 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.117 -1.678 1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.549 -1.829 0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.804 -3.741 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.510 -2.462 1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.002 -4.778 5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.712 -3.497 3.612 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.460 -4.662 5.384 1.00 0.00 H new ATOM 455 N LYS A 35 -5.955 -4.210 -0.950 1.00 0.00 N ATOM 456 CA LYS A 35 -6.925 -5.186 -1.434 1.00 0.00 C ATOM 457 C LYS A 35 -6.238 -6.280 -2.244 1.00 0.00 C ATOM 458 O LYS A 35 -6.222 -7.444 -1.844 1.00 0.00 O ATOM 459 CB LYS A 35 -7.990 -4.495 -2.289 1.00 0.00 C ATOM 460 CG LYS A 35 -8.716 -5.438 -3.234 1.00 0.00 C ATOM 461 CD LYS A 35 -9.512 -4.675 -4.280 1.00 0.00 C ATOM 462 CE LYS A 35 -8.687 -4.423 -5.533 1.00 0.00 C ATOM 463 NZ LYS A 35 -9.308 -3.389 -6.406 1.00 0.00 N ATOM 0 H LYS A 35 -6.024 -3.293 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.404 -5.646 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.719 -4.019 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.519 -3.702 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.993 -6.088 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.386 -6.082 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.408 -5.239 -4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.844 -3.724 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.684 -4.104 -5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.580 -5.353 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.716 -3.246 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.255 -3.704 -6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.387 -2.494 -5.882 1.00 0.00 H new ATOM 477 N ARG A 36 -5.670 -5.898 -3.383 1.00 0.00 N ATOM 478 CA ARG A 36 -4.981 -6.848 -4.249 1.00 0.00 C ATOM 479 C ARG A 36 -4.248 -7.902 -3.425 1.00 0.00 C ATOM 480 O ARG A 36 -4.082 -9.041 -3.862 1.00 0.00 O ATOM 481 CB ARG A 36 -3.991 -6.116 -5.157 1.00 0.00 C ATOM 482 CG ARG A 36 -2.707 -5.706 -4.454 1.00 0.00 C ATOM 483 CD ARG A 36 -1.637 -6.779 -4.576 1.00 0.00 C ATOM 484 NE ARG A 36 -1.158 -6.921 -5.948 1.00 0.00 N ATOM 485 CZ ARG A 36 -0.236 -6.133 -6.490 1.00 0.00 C ATOM 486 NH1 ARG A 36 0.304 -5.153 -5.779 1.00 0.00 N ATOM 487 NH2 ARG A 36 0.148 -6.325 -7.745 1.00 0.00 N ATOM 0 H ARG A 36 -5.673 -4.938 -3.728 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.728 -7.348 -4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.743 -6.758 -6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.473 -5.227 -5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.339 -4.773 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.913 -5.514 -3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.800 -6.532 -3.924 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.039 -7.732 -4.232 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.553 -7.666 -6.522 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.012 -5.003 -4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.012 -4.549 -6.198 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.265 -7.078 -8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.856 -5.719 -8.160 1.00 0.00 H new ATOM 501 N SER A 37 -3.812 -7.515 -2.231 1.00 0.00 N ATOM 502 CA SER A 37 -3.093 -8.426 -1.347 1.00 0.00 C ATOM 503 C SER A 37 -4.057 -9.145 -0.409 1.00 0.00 C ATOM 504 O SER A 37 -3.941 -10.350 -0.186 1.00 0.00 O ATOM 505 CB SER A 37 -2.046 -7.661 -0.535 1.00 0.00 C ATOM 506 OG SER A 37 -2.661 -6.823 0.429 1.00 0.00 O ATOM 0 H SER A 37 -3.944 -6.577 -1.853 1.00 0.00 H new ATOM 0 HA SER A 37 -2.590 -9.171 -1.963 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.381 -8.366 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.430 -7.060 -1.204 1.00 0.00 H new ATOM 0 HG SER A 37 -3.440 -6.383 0.030 1.00 0.00 H new ATOM 512 N VAL A 38 -5.008 -8.396 0.141 1.00 0.00 N ATOM 513 CA VAL A 38 -5.993 -8.961 1.055 1.00 0.00 C ATOM 514 C VAL A 38 -6.974 -9.865 0.316 1.00 0.00 C ATOM 515 O VAL A 38 -7.092 -11.051 0.622 1.00 0.00 O ATOM 516 CB VAL A 38 -6.780 -7.856 1.784 1.00 0.00 C ATOM 517 CG1 VAL A 38 -7.999 -8.440 2.482 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.884 -7.132 2.777 1.00 0.00 C ATOM 0 H VAL A 38 -5.117 -7.396 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.443 -9.550 1.789 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.126 -7.133 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.542 -7.644 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.650 -8.910 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.679 -9.185 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.456 -6.354 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.507 -7.843 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.046 -6.679 2.248 1.00 0.00 H new ATOM 528 N ARG A 39 -7.675 -9.296 -0.659 1.00 0.00 N ATOM 529 CA ARG A 39 -8.647 -10.050 -1.441 1.00 0.00 C ATOM 530 C ARG A 39 -8.007 -11.295 -2.049 1.00 0.00 C ATOM 531 O ARG A 39 -8.691 -12.274 -2.346 1.00 0.00 O ATOM 532 CB ARG A 39 -9.232 -9.173 -2.549 1.00 0.00 C ATOM 533 CG ARG A 39 -8.244 -8.851 -3.658 1.00 0.00 C ATOM 534 CD ARG A 39 -8.260 -9.915 -4.745 1.00 0.00 C ATOM 535 NE ARG A 39 -9.608 -10.160 -5.251 1.00 0.00 N ATOM 536 CZ ARG A 39 -9.970 -11.280 -5.865 1.00 0.00 C ATOM 537 NH1 ARG A 39 -9.089 -12.255 -6.047 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.215 -11.429 -6.298 1.00 0.00 N ATOM 0 H ARG A 39 -7.588 -8.315 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.449 -10.363 -0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.097 -9.676 -2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.590 -8.241 -2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.487 -7.881 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.240 -8.771 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.615 -9.603 -5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.847 -10.843 -4.350 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.310 -9.431 -5.126 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.131 -12.145 -5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.370 -13.115 -6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.896 -10.682 -6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.491 -12.290 -6.770 1.00 0.00 H new ATOM 552 N ARG A 40 -6.691 -11.249 -2.230 1.00 0.00 N ATOM 553 CA ARG A 40 -5.960 -12.372 -2.803 1.00 0.00 C ATOM 554 C ARG A 40 -5.326 -13.224 -1.708 1.00 0.00 C ATOM 555 O ARG A 40 -4.972 -14.381 -1.934 1.00 0.00 O ATOM 556 CB ARG A 40 -4.879 -11.869 -3.762 1.00 0.00 C ATOM 557 CG ARG A 40 -5.434 -11.257 -5.038 1.00 0.00 C ATOM 558 CD ARG A 40 -4.444 -11.371 -6.187 1.00 0.00 C ATOM 559 NE ARG A 40 -4.378 -12.730 -6.718 1.00 0.00 N ATOM 560 CZ ARG A 40 -5.323 -13.269 -7.479 1.00 0.00 C ATOM 561 NH1 ARG A 40 -6.403 -12.567 -7.798 1.00 0.00 N ATOM 562 NH2 ARG A 40 -5.191 -14.512 -7.925 1.00 0.00 N ATOM 0 H ARG A 40 -6.110 -10.446 -1.988 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.668 -12.989 -3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.267 -11.127 -3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.222 -12.699 -4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.365 -11.756 -5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.673 -10.208 -4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.731 -10.684 -6.983 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.455 -11.067 -5.845 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.561 -13.296 -6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.509 -11.611 -7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.128 -12.983 -8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.362 -15.055 -7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.918 -14.924 -8.509 1.00 0.00 H new ATOM 576 N ASN A 41 -5.185 -12.644 -0.520 1.00 0.00 N ATOM 577 CA ASN A 41 -4.593 -13.349 0.610 1.00 0.00 C ATOM 578 C ASN A 41 -3.100 -13.573 0.390 1.00 0.00 C ATOM 579 O ASN A 41 -2.545 -14.589 0.810 1.00 0.00 O ATOM 580 CB ASN A 41 -5.295 -14.691 0.825 1.00 0.00 C ATOM 581 CG ASN A 41 -6.760 -14.646 0.435 1.00 0.00 C ATOM 582 OD1 ASN A 41 -7.395 -13.592 0.482 1.00 0.00 O ATOM 583 ND2 ASN A 41 -7.305 -15.794 0.048 1.00 0.00 N ATOM 0 H ASN A 41 -5.473 -11.687 -0.316 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.723 -12.732 1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.790 -15.460 0.241 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.209 -14.979 1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.287 -15.826 -0.225 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.741 -16.644 0.024 1.00 0.00 H new ATOM 590 N LEU A 42 -2.455 -12.618 -0.270 1.00 0.00 N ATOM 591 CA LEU A 42 -1.026 -12.709 -0.546 1.00 0.00 C ATOM 592 C LEU A 42 -0.214 -12.589 0.740 1.00 0.00 C ATOM 593 O LEU A 42 -0.623 -11.912 1.684 1.00 0.00 O ATOM 594 CB LEU A 42 -0.605 -11.618 -1.532 1.00 0.00 C ATOM 595 CG LEU A 42 -1.517 -11.422 -2.744 1.00 0.00 C ATOM 596 CD1 LEU A 42 -0.962 -10.341 -3.659 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.686 -12.730 -3.502 1.00 0.00 C ATOM 0 H LEU A 42 -2.899 -11.771 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.829 -13.685 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.542 -10.673 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.398 -11.847 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.497 -11.102 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.624 -10.215 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.894 -9.401 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.030 -10.632 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.338 -12.571 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.712 -13.080 -3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.129 -13.477 -2.844 1.00 0.00 H new ATOM 609 N THR A 43 0.940 -13.248 0.770 1.00 0.00 N ATOM 610 CA THR A 43 1.810 -13.214 1.939 1.00 0.00 C ATOM 611 C THR A 43 3.257 -12.951 1.539 1.00 0.00 C ATOM 612 O THR A 43 4.027 -13.884 1.310 1.00 0.00 O ATOM 613 CB THR A 43 1.739 -14.533 2.730 1.00 0.00 C ATOM 614 OG1 THR A 43 0.372 -14.895 2.958 1.00 0.00 O ATOM 615 CG2 THR A 43 2.464 -14.406 4.061 1.00 0.00 C ATOM 0 H THR A 43 1.294 -13.812 -0.003 1.00 0.00 H new ATOM 0 HA THR A 43 1.457 -12.400 2.573 1.00 0.00 H new ATOM 0 HB THR A 43 2.227 -15.310 2.142 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.336 -15.736 3.460 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.400 -15.350 4.602 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.511 -14.160 3.883 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.001 -13.617 4.653 1.00 0.00 H new ATOM 623 N TYR A 44 3.622 -11.677 1.458 1.00 0.00 N ATOM 624 CA TYR A 44 4.977 -11.291 1.085 1.00 0.00 C ATOM 625 C TYR A 44 5.969 -11.652 2.186 1.00 0.00 C ATOM 626 O TYR A 44 5.583 -12.122 3.257 1.00 0.00 O ATOM 627 CB TYR A 44 5.042 -9.791 0.796 1.00 0.00 C ATOM 628 CG TYR A 44 3.834 -9.264 0.055 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.553 -9.681 -1.240 1.00 0.00 C ATOM 630 CD2 TYR A 44 2.975 -8.347 0.649 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.451 -9.202 -1.922 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.870 -7.864 -0.024 1.00 0.00 C ATOM 633 CZ TYR A 44 1.612 -8.294 -1.309 1.00 0.00 C ATOM 634 OH TYR A 44 0.513 -7.814 -1.984 1.00 0.00 O ATOM 0 H TYR A 44 2.997 -10.893 1.646 1.00 0.00 H new ATOM 0 HA TYR A 44 5.248 -11.839 0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.143 -9.252 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.937 -9.581 0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.207 -10.392 -1.722 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.175 -8.006 1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.248 -9.536 -2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.211 -7.153 0.453 1.00 0.00 H new ATOM 0 HH TYR A 44 0.701 -7.798 -2.946 1.00 0.00 H new ATOM 644 N THR A 45 7.252 -11.430 1.915 1.00 0.00 N ATOM 645 CA THR A 45 8.301 -11.731 2.881 1.00 0.00 C ATOM 646 C THR A 45 9.347 -10.623 2.920 1.00 0.00 C ATOM 647 O THR A 45 10.159 -10.489 2.005 1.00 0.00 O ATOM 648 CB THR A 45 8.996 -13.066 2.556 1.00 0.00 C ATOM 649 OG1 THR A 45 8.044 -14.136 2.589 1.00 0.00 O ATOM 650 CG2 THR A 45 10.117 -13.348 3.546 1.00 0.00 C ATOM 0 H THR A 45 7.589 -11.043 1.034 1.00 0.00 H new ATOM 0 HA THR A 45 7.821 -11.807 3.856 1.00 0.00 H new ATOM 0 HB THR A 45 9.425 -12.992 1.557 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.494 -14.981 2.380 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.593 -14.296 3.296 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.855 -12.547 3.498 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.707 -13.403 4.554 1.00 0.00 H new ATOM 658 N CYS A 46 9.322 -9.830 3.987 1.00 0.00 N ATOM 659 CA CYS A 46 10.268 -8.733 4.146 1.00 0.00 C ATOM 660 C CYS A 46 11.675 -9.262 4.413 1.00 0.00 C ATOM 661 O CYS A 46 11.967 -9.755 5.502 1.00 0.00 O ATOM 662 CB CYS A 46 9.831 -7.817 5.291 1.00 0.00 C ATOM 663 SG CYS A 46 11.029 -6.504 5.692 1.00 0.00 S ATOM 0 H CYS A 46 8.657 -9.927 4.754 1.00 0.00 H new ATOM 0 HA CYS A 46 10.283 -8.162 3.218 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.878 -7.357 5.030 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.660 -8.422 6.181 1.00 0.00 H new ATOM 668 N ARG A 47 12.541 -9.156 3.410 1.00 0.00 N ATOM 669 CA ARG A 47 13.916 -9.624 3.536 1.00 0.00 C ATOM 670 C ARG A 47 14.689 -8.776 4.542 1.00 0.00 C ATOM 671 O ARG A 47 15.848 -9.057 4.844 1.00 0.00 O ATOM 672 CB ARG A 47 14.616 -9.586 2.176 1.00 0.00 C ATOM 673 CG ARG A 47 13.794 -10.192 1.051 1.00 0.00 C ATOM 674 CD ARG A 47 13.736 -11.708 1.157 1.00 0.00 C ATOM 675 NE ARG A 47 14.914 -12.343 0.571 1.00 0.00 N ATOM 676 CZ ARG A 47 15.061 -12.557 -0.732 1.00 0.00 C ATOM 677 NH1 ARG A 47 14.111 -12.189 -1.579 1.00 0.00 N ATOM 678 NH2 ARG A 47 16.162 -13.141 -1.189 1.00 0.00 N ATOM 0 H ARG A 47 12.315 -8.750 2.502 1.00 0.00 H new ATOM 0 HA ARG A 47 13.892 -10.652 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.851 -8.551 1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.564 -10.119 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.783 -9.785 1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.226 -9.910 0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.653 -11.995 2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.840 -12.073 0.655 1.00 0.00 H new ATOM 0 HE ARG A 47 15.664 -12.638 1.196 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.264 -11.740 -1.231 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.227 -12.355 -2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.895 -13.426 -0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.275 -13.305 -2.189 1.00 0.00 H new ATOM 692 N ALA A 48 14.039 -7.738 5.056 1.00 0.00 N ATOM 693 CA ALA A 48 14.664 -6.850 6.029 1.00 0.00 C ATOM 694 C ALA A 48 14.184 -7.159 7.443 1.00 0.00 C ATOM 695 O ALA A 48 13.502 -8.157 7.672 1.00 0.00 O ATOM 696 CB ALA A 48 14.379 -5.398 5.678 1.00 0.00 C ATOM 0 H ALA A 48 13.079 -7.491 4.815 1.00 0.00 H new ATOM 0 HA ALA A 48 15.741 -7.016 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.852 -4.746 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.778 -5.178 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.302 -5.227 5.681 1.00 0.00 H new ATOM 702 N ASN A 49 14.544 -6.296 8.387 1.00 0.00 N ATOM 703 CA ASN A 49 14.150 -6.478 9.779 1.00 0.00 C ATOM 704 C ASN A 49 12.709 -6.027 10.001 1.00 0.00 C ATOM 705 O ASN A 49 12.322 -5.677 11.116 1.00 0.00 O ATOM 706 CB ASN A 49 15.088 -5.698 10.703 1.00 0.00 C ATOM 707 CG ASN A 49 16.464 -6.328 10.795 1.00 0.00 C ATOM 708 OD1 ASN A 49 16.728 -7.142 11.680 1.00 0.00 O ATOM 709 ND2 ASN A 49 17.349 -5.953 9.879 1.00 0.00 N ATOM 0 H ASN A 49 15.108 -5.464 8.213 1.00 0.00 H new ATOM 0 HA ASN A 49 14.220 -7.540 10.014 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.183 -4.675 10.340 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.649 -5.643 11.699 1.00 0.00 H new ATOM 0 HD21 ASN A 49 18.291 -6.343 9.891 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.086 -5.275 9.164 1.00 0.00 H new ATOM 716 N ARG A 50 11.921 -6.039 8.931 1.00 0.00 N ATOM 717 CA ARG A 50 10.523 -5.631 9.008 1.00 0.00 C ATOM 718 C ARG A 50 10.396 -4.239 9.620 1.00 0.00 C ATOM 719 O ARG A 50 9.432 -3.946 10.326 1.00 0.00 O ATOM 720 CB ARG A 50 9.720 -6.638 9.833 1.00 0.00 C ATOM 721 CG ARG A 50 9.687 -8.032 9.228 1.00 0.00 C ATOM 722 CD ARG A 50 9.276 -9.075 10.256 1.00 0.00 C ATOM 723 NE ARG A 50 7.968 -8.785 10.837 1.00 0.00 N ATOM 724 CZ ARG A 50 7.405 -9.524 11.786 1.00 0.00 C ATOM 725 NH1 ARG A 50 8.033 -10.592 12.259 1.00 0.00 N ATOM 726 NH2 ARG A 50 6.212 -9.196 12.265 1.00 0.00 N ATOM 0 H ARG A 50 12.226 -6.327 8.001 1.00 0.00 H new ATOM 0 HA ARG A 50 10.123 -5.601 7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.146 -6.696 10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.698 -6.274 9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.990 -8.050 8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.671 -8.280 8.829 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.254 -10.058 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.023 -9.117 11.048 1.00 0.00 H new ATOM 0 HE ARG A 50 7.459 -7.970 10.495 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.951 -10.847 11.894 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.598 -11.158 12.988 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.726 -8.375 11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.781 -9.765 12.994 1.00 0.00 H new ATOM 740 N ASN A 51 11.377 -3.385 9.345 1.00 0.00 N ATOM 741 CA ASN A 51 11.376 -2.024 9.870 1.00 0.00 C ATOM 742 C ASN A 51 11.499 -1.006 8.741 1.00 0.00 C ATOM 743 O ASN A 51 11.897 0.138 8.962 1.00 0.00 O ATOM 744 CB ASN A 51 12.522 -1.839 10.866 1.00 0.00 C ATOM 745 CG ASN A 51 13.878 -1.811 10.189 1.00 0.00 C ATOM 746 OD1 ASN A 51 14.198 -2.682 9.380 1.00 0.00 O ATOM 747 ND2 ASN A 51 14.683 -0.808 10.518 1.00 0.00 N ATOM 0 H ASN A 51 12.183 -3.611 8.762 1.00 0.00 H new ATOM 0 HA ASN A 51 10.428 -1.859 10.382 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.375 -0.910 11.417 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.500 -2.649 11.595 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.609 -0.737 10.095 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.376 -0.108 11.194 1.00 0.00 H new ATOM 754 N CYS A 52 11.154 -1.429 7.529 1.00 0.00 N ATOM 755 CA CYS A 52 11.225 -0.555 6.364 1.00 0.00 C ATOM 756 C CYS A 52 10.327 0.665 6.544 1.00 0.00 C ATOM 757 O CYS A 52 9.141 0.554 6.853 1.00 0.00 O ATOM 758 CB CYS A 52 10.820 -1.319 5.102 1.00 0.00 C ATOM 759 SG CYS A 52 11.563 -2.977 4.965 1.00 0.00 S ATOM 0 H CYS A 52 10.822 -2.372 7.328 1.00 0.00 H new ATOM 0 HA CYS A 52 12.255 -0.214 6.259 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.735 -1.416 5.082 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.104 -0.732 4.228 1.00 0.00 H new ATOM 764 N PRO A 53 10.905 1.859 6.347 1.00 0.00 N ATOM 765 CA PRO A 53 10.176 3.124 6.481 1.00 0.00 C ATOM 766 C PRO A 53 9.155 3.325 5.366 1.00 0.00 C ATOM 767 O PRO A 53 9.440 3.974 4.360 1.00 0.00 O ATOM 768 CB PRO A 53 11.280 4.181 6.391 1.00 0.00 C ATOM 769 CG PRO A 53 12.370 3.526 5.616 1.00 0.00 C ATOM 770 CD PRO A 53 12.316 2.067 5.977 1.00 0.00 C ATOM 0 HA PRO A 53 9.600 3.167 7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.925 5.082 5.891 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.623 4.480 7.381 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.227 3.668 4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.340 3.955 5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.609 1.435 5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.987 1.832 6.803 1.00 0.00 H new ATOM 778 N ILE A 54 7.964 2.765 5.553 1.00 0.00 N ATOM 779 CA ILE A 54 6.901 2.884 4.564 1.00 0.00 C ATOM 780 C ILE A 54 6.456 4.334 4.408 1.00 0.00 C ATOM 781 O ILE A 54 5.564 4.801 5.117 1.00 0.00 O ATOM 782 CB ILE A 54 5.681 2.023 4.942 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.122 0.598 5.284 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.668 2.012 3.807 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.731 -0.143 4.115 1.00 0.00 C ATOM 0 H ILE A 54 7.712 2.225 6.381 1.00 0.00 H new ATOM 0 HA ILE A 54 7.309 2.527 3.618 1.00 0.00 H new ATOM 0 HB ILE A 54 5.206 2.458 5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.847 0.636 6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.261 0.038 5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.812 1.399 4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.335 3.030 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.130 1.598 2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.020 -1.145 4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.001 -0.213 3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.611 0.394 3.762 1.00 0.00 H new ATOM 797 N ASP A 55 7.082 5.042 3.473 1.00 0.00 N ATOM 798 CA ASP A 55 6.749 6.439 3.221 1.00 0.00 C ATOM 799 C ASP A 55 6.565 6.692 1.728 1.00 0.00 C ATOM 800 O ASP A 55 7.120 5.977 0.895 1.00 0.00 O ATOM 801 CB ASP A 55 7.842 7.354 3.775 1.00 0.00 C ATOM 802 CG ASP A 55 7.713 7.571 5.270 1.00 0.00 C ATOM 803 OD1 ASP A 55 6.575 7.771 5.743 1.00 0.00 O ATOM 804 OD2 ASP A 55 8.749 7.542 5.966 1.00 0.00 O ATOM 0 H ASP A 55 7.822 4.671 2.878 1.00 0.00 H new ATOM 0 HA ASP A 55 5.810 6.660 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.819 6.922 3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.798 8.317 3.266 1.00 0.00 H new ATOM 809 N GLN A 56 5.781 7.714 1.399 1.00 0.00 N ATOM 810 CA GLN A 56 5.522 8.060 0.006 1.00 0.00 C ATOM 811 C GLN A 56 6.827 8.208 -0.770 1.00 0.00 C ATOM 812 O GLN A 56 7.114 7.425 -1.676 1.00 0.00 O ATOM 813 CB GLN A 56 4.715 9.357 -0.078 1.00 0.00 C ATOM 814 CG GLN A 56 4.410 9.792 -1.502 1.00 0.00 C ATOM 815 CD GLN A 56 4.108 8.623 -2.418 1.00 0.00 C ATOM 816 OE1 GLN A 56 4.920 7.709 -2.567 1.00 0.00 O ATOM 817 NE2 GLN A 56 2.934 8.644 -3.039 1.00 0.00 N ATOM 0 H GLN A 56 5.315 8.316 2.077 1.00 0.00 H new ATOM 0 HA GLN A 56 4.944 7.251 -0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.777 9.227 0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.266 10.151 0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.559 10.473 -1.495 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.260 10.348 -1.898 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.291 9.421 -2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.676 7.883 -3.668 1.00 0.00 H new ATOM 826 N HIS A 57 7.613 9.216 -0.408 1.00 0.00 N ATOM 827 CA HIS A 57 8.889 9.467 -1.070 1.00 0.00 C ATOM 828 C HIS A 57 8.805 9.128 -2.556 1.00 0.00 C ATOM 829 O HIS A 57 9.791 8.710 -3.164 1.00 0.00 O ATOM 830 CB HIS A 57 9.999 8.649 -0.410 1.00 0.00 C ATOM 831 CG HIS A 57 10.577 9.299 0.809 1.00 0.00 C ATOM 832 ND1 HIS A 57 11.834 9.005 1.294 1.00 0.00 N ATOM 833 CD2 HIS A 57 10.063 10.234 1.642 1.00 0.00 C ATOM 834 CE1 HIS A 57 12.068 9.731 2.374 1.00 0.00 C ATOM 835 NE2 HIS A 57 11.009 10.485 2.606 1.00 0.00 N ATOM 0 H HIS A 57 7.390 9.873 0.340 1.00 0.00 H new ATOM 0 HA HIS A 57 9.121 10.527 -0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.605 7.670 -0.137 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.796 8.481 -1.135 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.090 10.697 1.563 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.971 9.711 2.966 1.00 0.00 H new ATOM 0 HE2 HIS A 57 10.910 11.146 3.376 1.00 0.00 H new ATOM 843 N HIS A 58 7.622 9.309 -3.134 1.00 0.00 N ATOM 844 CA HIS A 58 7.410 9.022 -4.548 1.00 0.00 C ATOM 845 C HIS A 58 8.258 7.834 -4.994 1.00 0.00 C ATOM 846 O HIS A 58 8.952 7.901 -6.009 1.00 0.00 O ATOM 847 CB HIS A 58 7.745 10.250 -5.395 1.00 0.00 C ATOM 848 CG HIS A 58 9.214 10.449 -5.607 1.00 0.00 C ATOM 849 ND1 HIS A 58 10.192 10.811 -4.743 1.00 0.00 N flip ATOM 850 CD2 HIS A 58 9.829 10.274 -6.828 1.00 0.00 C flip ATOM 851 CE1 HIS A 58 11.368 10.847 -5.452 1.00 0.00 C flip ATOM 852 NE2 HIS A 58 11.122 10.519 -6.707 1.00 0.00 N flip ATOM 0 H HIS A 58 6.796 9.653 -2.645 1.00 0.00 H new ATOM 0 HA HIS A 58 6.359 8.769 -4.689 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.256 10.157 -6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.332 11.137 -4.914 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.332 9.982 -7.741 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.337 11.102 -5.048 1.00 0.00 H new ATOM 0 HE2 HIS A 58 11.812 10.464 -7.456 1.00 0.00 H new ATOM 860 N ARG A 59 8.197 6.749 -4.229 1.00 0.00 N ATOM 861 CA ARG A 59 8.961 5.548 -4.545 1.00 0.00 C ATOM 862 C ARG A 59 8.314 4.314 -3.924 1.00 0.00 C ATOM 863 O ARG A 59 7.597 4.411 -2.929 1.00 0.00 O ATOM 864 CB ARG A 59 10.401 5.688 -4.047 1.00 0.00 C ATOM 865 CG ARG A 59 11.407 4.890 -4.861 1.00 0.00 C ATOM 866 CD ARG A 59 12.822 5.079 -4.337 1.00 0.00 C ATOM 867 NE ARG A 59 12.994 4.503 -3.006 1.00 0.00 N ATOM 868 CZ ARG A 59 12.711 5.152 -1.882 1.00 0.00 C ATOM 869 NH1 ARG A 59 12.244 6.392 -1.929 1.00 0.00 N ATOM 870 NH2 ARG A 59 12.895 4.561 -0.708 1.00 0.00 N ATOM 0 H ARG A 59 7.627 6.677 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 59 8.969 5.427 -5.628 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.683 6.741 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.450 5.365 -3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.145 3.832 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.360 5.200 -5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.529 4.617 -5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.058 6.143 -4.305 1.00 0.00 H new ATOM 0 HE ARG A 59 13.351 3.550 -2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.101 6.849 -2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.027 6.888 -1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.254 3.607 -0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.677 5.061 0.154 1.00 0.00 H new ATOM 884 N ASN A 60 8.574 3.153 -4.518 1.00 0.00 N ATOM 885 CA ASN A 60 8.016 1.900 -4.024 1.00 0.00 C ATOM 886 C ASN A 60 8.338 1.707 -2.545 1.00 0.00 C ATOM 887 O ASN A 60 9.143 2.442 -1.975 1.00 0.00 O ATOM 888 CB ASN A 60 8.560 0.721 -4.834 1.00 0.00 C ATOM 889 CG ASN A 60 8.781 1.075 -6.292 1.00 0.00 C ATOM 890 OD1 ASN A 60 9.919 1.178 -6.751 1.00 0.00 O ATOM 891 ND2 ASN A 60 7.691 1.263 -7.027 1.00 0.00 N ATOM 0 H ASN A 60 9.167 3.055 -5.342 1.00 0.00 H new ATOM 0 HA ASN A 60 6.933 1.943 -4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.501 0.387 -4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.863 -0.115 -4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.777 1.503 -8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.768 1.167 -6.604 1.00 0.00 H new ATOM 898 N GLN A 61 7.704 0.713 -1.932 1.00 0.00 N ATOM 899 CA GLN A 61 7.923 0.423 -0.520 1.00 0.00 C ATOM 900 C GLN A 61 7.837 -1.076 -0.252 1.00 0.00 C ATOM 901 O GLN A 61 7.248 -1.824 -1.032 1.00 0.00 O ATOM 902 CB GLN A 61 6.899 1.167 0.340 1.00 0.00 C ATOM 903 CG GLN A 61 6.952 2.677 0.179 1.00 0.00 C ATOM 904 CD GLN A 61 5.602 3.334 0.389 1.00 0.00 C ATOM 905 OE1 GLN A 61 5.498 4.153 1.429 1.00 0.00 O flip ATOM 906 NE2 GLN A 61 4.663 3.108 -0.374 1.00 0.00 N flip ATOM 0 H GLN A 61 7.035 0.095 -2.391 1.00 0.00 H new ATOM 0 HA GLN A 61 8.924 0.763 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.899 0.817 0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.065 0.916 1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.667 3.090 0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.319 2.920 -0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.787 2.471 -1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.761 3.557 -0.219 1.00 0.00 H new ATOM 915 N CYS A 62 8.430 -1.508 0.856 1.00 0.00 N ATOM 916 CA CYS A 62 8.422 -2.918 1.228 1.00 0.00 C ATOM 917 C CYS A 62 7.011 -3.494 1.147 1.00 0.00 C ATOM 918 O CYS A 62 6.069 -2.933 1.705 1.00 0.00 O ATOM 919 CB CYS A 62 8.977 -3.097 2.642 1.00 0.00 C ATOM 920 SG CYS A 62 8.741 -4.768 3.328 1.00 0.00 S ATOM 0 H CYS A 62 8.922 -0.902 1.512 1.00 0.00 H new ATOM 0 HA CYS A 62 9.057 -3.457 0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.042 -2.866 2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.499 -2.374 3.303 1.00 0.00 H new ATOM 925 N GLN A 63 6.875 -4.616 0.448 1.00 0.00 N ATOM 926 CA GLN A 63 5.580 -5.267 0.293 1.00 0.00 C ATOM 927 C GLN A 63 4.977 -5.609 1.651 1.00 0.00 C ATOM 928 O GLN A 63 3.972 -5.027 2.060 1.00 0.00 O ATOM 929 CB GLN A 63 5.721 -6.536 -0.550 1.00 0.00 C ATOM 930 CG GLN A 63 6.134 -6.268 -1.988 1.00 0.00 C ATOM 931 CD GLN A 63 6.080 -7.512 -2.852 1.00 0.00 C ATOM 932 OE1 GLN A 63 5.854 -8.617 -2.357 1.00 0.00 O ATOM 933 NE2 GLN A 63 6.286 -7.340 -4.153 1.00 0.00 N ATOM 0 H GLN A 63 7.646 -5.093 -0.020 1.00 0.00 H new ATOM 0 HA GLN A 63 4.911 -4.573 -0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.458 -7.191 -0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.772 -7.072 -0.547 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.481 -5.506 -2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.146 -5.864 -2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.470 -6.407 -4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.260 -8.141 -4.784 1.00 0.00 H new ATOM 942 N TYR A 64 5.597 -6.556 2.347 1.00 0.00 N ATOM 943 CA TYR A 64 5.120 -6.978 3.658 1.00 0.00 C ATOM 944 C TYR A 64 4.862 -5.772 4.557 1.00 0.00 C ATOM 945 O TYR A 64 3.713 -5.411 4.817 1.00 0.00 O ATOM 946 CB TYR A 64 6.136 -7.912 4.318 1.00 0.00 C ATOM 947 CG TYR A 64 5.945 -8.057 5.811 1.00 0.00 C ATOM 948 CD1 TYR A 64 4.968 -8.900 6.327 1.00 0.00 C ATOM 949 CD2 TYR A 64 6.740 -7.351 6.705 1.00 0.00 C ATOM 950 CE1 TYR A 64 4.790 -9.036 7.690 1.00 0.00 C ATOM 951 CE2 TYR A 64 6.569 -7.481 8.069 1.00 0.00 C ATOM 952 CZ TYR A 64 5.592 -8.324 8.557 1.00 0.00 C ATOM 953 OH TYR A 64 5.418 -8.456 9.916 1.00 0.00 O ATOM 0 H TYR A 64 6.431 -7.046 2.024 1.00 0.00 H new ATOM 0 HA TYR A 64 4.181 -7.514 3.520 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.067 -8.896 3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.141 -7.538 4.123 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.337 -9.458 5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.505 -6.689 6.327 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.027 -9.696 8.075 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.197 -6.926 8.750 1.00 0.00 H new ATOM 0 HH TYR A 64 4.870 -9.247 10.100 1.00 0.00 H new ATOM 963 N CYS A 65 5.938 -5.153 5.030 1.00 0.00 N ATOM 964 CA CYS A 65 5.832 -3.988 5.900 1.00 0.00 C ATOM 965 C CYS A 65 4.677 -3.090 5.466 1.00 0.00 C ATOM 966 O CYS A 65 3.784 -2.784 6.257 1.00 0.00 O ATOM 967 CB CYS A 65 7.140 -3.196 5.889 1.00 0.00 C ATOM 968 SG CYS A 65 8.503 -3.998 6.794 1.00 0.00 S ATOM 0 H CYS A 65 6.895 -5.439 4.825 1.00 0.00 H new ATOM 0 HA CYS A 65 5.637 -4.339 6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.448 -3.038 4.855 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.960 -2.212 6.322 1.00 0.00 H new ATOM 973 N ARG A 66 4.701 -2.671 4.205 1.00 0.00 N ATOM 974 CA ARG A 66 3.657 -1.808 3.667 1.00 0.00 C ATOM 975 C ARG A 66 2.273 -2.369 3.977 1.00 0.00 C ATOM 976 O ARG A 66 1.430 -1.686 4.560 1.00 0.00 O ATOM 977 CB ARG A 66 3.828 -1.648 2.155 1.00 0.00 C ATOM 978 CG ARG A 66 2.715 -0.848 1.498 1.00 0.00 C ATOM 979 CD ARG A 66 3.069 0.628 1.406 1.00 0.00 C ATOM 980 NE ARG A 66 2.433 1.273 0.261 1.00 0.00 N ATOM 981 CZ ARG A 66 2.762 1.021 -1.001 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.715 0.141 -1.278 1.00 0.00 N ATOM 983 NH2 ARG A 66 2.138 1.649 -1.989 1.00 0.00 N ATOM 0 H ARG A 66 5.432 -2.915 3.537 1.00 0.00 H new ATOM 0 HA ARG A 66 3.748 -0.831 4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.782 -1.160 1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.874 -2.636 1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.524 -1.240 0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.794 -0.967 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.762 1.132 2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.151 0.737 1.329 1.00 0.00 H new ATOM 0 HE ARG A 66 1.696 1.955 0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.197 -0.344 -0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.966 -0.051 -2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.405 2.326 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.392 1.455 -2.958 1.00 0.00 H new ATOM 997 N LEU A 67 2.045 -3.618 3.584 1.00 0.00 N ATOM 998 CA LEU A 67 0.763 -4.272 3.820 1.00 0.00 C ATOM 999 C LEU A 67 0.373 -4.193 5.292 1.00 0.00 C ATOM 1000 O LEU A 67 -0.710 -3.718 5.635 1.00 0.00 O ATOM 1001 CB LEU A 67 0.824 -5.734 3.375 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.084 -6.704 4.130 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.522 -6.569 3.655 1.00 0.00 C ATOM 1004 CD2 LEU A 67 0.404 -8.136 3.959 1.00 0.00 C ATOM 0 H LEU A 67 2.731 -4.197 3.101 1.00 0.00 H new ATOM 0 HA LEU A 67 0.005 -3.751 3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.571 -5.781 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.853 -6.080 3.473 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.048 -6.454 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.154 -7.267 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.869 -5.551 3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.576 -6.792 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.255 -8.812 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.399 -8.398 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.418 -8.224 4.350 1.00 0.00 H new ATOM 1016 N LYS A 68 1.265 -4.659 6.161 1.00 0.00 N ATOM 1017 CA LYS A 68 1.017 -4.638 7.597 1.00 0.00 C ATOM 1018 C LYS A 68 0.589 -3.248 8.056 1.00 0.00 C ATOM 1019 O LYS A 68 -0.377 -3.100 8.805 1.00 0.00 O ATOM 1020 CB LYS A 68 2.272 -5.073 8.358 1.00 0.00 C ATOM 1021 CG LYS A 68 2.478 -6.577 8.381 1.00 0.00 C ATOM 1022 CD LYS A 68 1.451 -7.267 9.263 1.00 0.00 C ATOM 1023 CE LYS A 68 1.347 -8.750 8.941 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.799 -8.985 7.577 1.00 0.00 N ATOM 0 H LYS A 68 2.166 -5.056 5.895 1.00 0.00 H new ATOM 0 HA LYS A 68 0.208 -5.337 7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.144 -4.602 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.210 -4.707 9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.410 -6.970 7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.481 -6.802 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.725 -7.139 10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.478 -6.795 9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.333 -9.209 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.708 -9.238 9.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.398 -9.943 7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.055 -8.287 7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.561 -8.889 6.876 1.00 0.00 H new ATOM 1038 N LYS A 69 1.312 -2.230 7.600 1.00 0.00 N ATOM 1039 CA LYS A 69 1.005 -0.851 7.960 1.00 0.00 C ATOM 1040 C LYS A 69 -0.468 -0.540 7.717 1.00 0.00 C ATOM 1041 O LYS A 69 -1.024 0.384 8.313 1.00 0.00 O ATOM 1042 CB LYS A 69 1.880 0.114 7.157 1.00 0.00 C ATOM 1043 CG LYS A 69 1.432 1.562 7.250 1.00 0.00 C ATOM 1044 CD LYS A 69 2.612 2.517 7.184 1.00 0.00 C ATOM 1045 CE LYS A 69 3.154 2.831 8.570 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.524 3.410 8.512 1.00 0.00 N ATOM 0 H LYS A 69 2.115 -2.335 6.980 1.00 0.00 H new ATOM 0 HA LYS A 69 1.214 -0.724 9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.909 0.037 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.878 -0.192 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.739 1.782 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.890 1.717 8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.402 2.079 6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.306 3.441 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.485 3.530 9.071 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.170 1.920 9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.858 3.610 9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.168 2.732 8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.505 4.293 7.962 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.095 -1.316 6.841 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.505 -1.124 6.520 1.00 0.00 C ATOM 1062 C CYS A 70 -3.394 -1.620 7.656 1.00 0.00 C ATOM 1063 O CYS A 70 -4.216 -0.873 8.188 1.00 0.00 O ATOM 1064 CB CYS A 70 -2.859 -1.853 5.223 1.00 0.00 C ATOM 1065 SG CYS A 70 -1.852 -1.364 3.803 1.00 0.00 S ATOM 0 H CYS A 70 -0.650 -2.085 6.340 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.679 -0.056 6.387 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.749 -2.926 5.380 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.908 -1.670 4.991 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.593 -1.488 4.101 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.226 -2.886 8.021 1.00 0.00 N ATOM 1072 CA LEU A 71 -4.014 -3.484 9.094 1.00 0.00 C ATOM 1073 C LEU A 71 -3.735 -2.793 10.425 1.00 0.00 C ATOM 1074 O LEU A 71 -4.523 -2.893 11.365 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.706 -4.978 9.207 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.791 -5.781 7.909 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -3.139 -7.145 8.081 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.240 -5.933 7.469 1.00 0.00 C ATOM 0 H LEU A 71 -2.552 -3.518 7.590 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.069 -3.354 8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.702 -5.092 9.616 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.395 -5.417 9.928 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.251 -5.238 7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.209 -7.702 7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.090 -7.016 8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.650 -7.695 8.871 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.281 -6.507 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.803 -6.453 8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.675 -4.947 7.304 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.610 -2.091 10.497 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.227 -1.380 11.711 1.00 0.00 C ATOM 1092 C LYS A 72 -2.931 -0.029 11.794 1.00 0.00 C ATOM 1093 O LYS A 72 -3.580 0.284 12.793 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.711 -1.180 11.753 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.244 -0.307 12.905 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.274 1.167 12.536 1.00 0.00 C ATOM 1097 CE LYS A 72 0.566 1.998 13.492 1.00 0.00 C ATOM 1098 NZ LYS A 72 0.123 3.419 13.529 1.00 0.00 N ATOM 0 H LYS A 72 -1.946 -1.999 9.728 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.531 -1.983 12.567 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.226 -2.154 11.826 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.386 -0.732 10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.880 -0.478 13.774 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.769 -0.591 13.190 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.096 1.296 11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.303 1.525 12.549 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.504 1.572 14.494 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.612 1.952 13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.721 3.952 14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.206 3.833 12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.868 3.466 13.842 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.799 0.768 10.739 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.425 2.085 10.692 1.00 0.00 C ATOM 1114 C VAL A 73 -4.927 1.988 10.930 1.00 0.00 C ATOM 1115 O VAL A 73 -5.574 2.970 11.293 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.174 2.778 9.340 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.686 3.011 9.127 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.760 1.954 8.203 1.00 0.00 C ATOM 0 H VAL A 73 -2.264 0.525 9.905 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.972 2.679 11.486 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.671 3.748 9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.528 3.502 8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.299 3.644 9.926 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.163 2.055 9.136 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.574 2.458 7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.292 0.970 8.189 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.834 1.843 8.350 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.478 0.795 10.722 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.902 0.592 10.919 1.00 0.00 C ATOM 1130 C GLY A 74 -7.531 -0.220 9.804 1.00 0.00 C ATOM 1131 O GLY A 74 -8.420 -1.035 10.047 1.00 0.00 O ATOM 0 H GLY A 74 -4.964 -0.033 10.421 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.066 0.085 11.870 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.398 1.560 10.984 1.00 0.00 H new ATOM 1135 N MET A 75 -7.070 0.005 8.578 1.00 0.00 N ATOM 1136 CA MET A 75 -7.594 -0.712 7.422 1.00 0.00 C ATOM 1137 C MET A 75 -7.996 -2.134 7.800 1.00 0.00 C ATOM 1138 O MET A 75 -7.165 -2.927 8.243 1.00 0.00 O ATOM 1139 CB MET A 75 -6.554 -0.744 6.300 1.00 0.00 C ATOM 1140 CG MET A 75 -6.065 0.634 5.885 1.00 0.00 C ATOM 1141 SD MET A 75 -5.039 0.589 4.404 1.00 0.00 S ATOM 1142 CE MET A 75 -6.266 0.222 3.152 1.00 0.00 C ATOM 0 H MET A 75 -6.335 0.678 8.360 1.00 0.00 H new ATOM 0 HA MET A 75 -8.481 -0.185 7.070 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.701 -1.341 6.623 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.983 -1.245 5.432 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.923 1.282 5.708 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.496 1.075 6.703 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.780 -0.232 2.288 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.005 -0.469 3.558 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.761 1.144 2.847 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.275 -2.450 7.622 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.786 -3.776 7.946 1.00 0.00 C ATOM 1154 C ARG A 76 -9.990 -4.605 6.681 1.00 0.00 C ATOM 1155 O ARG A 76 -10.489 -4.104 5.673 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.105 -3.664 8.713 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.177 -2.884 7.971 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.101 -2.153 8.932 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.133 -1.394 8.230 1.00 0.00 N ATOM 1160 CZ ARG A 76 -15.229 -1.943 7.720 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -15.436 -3.248 7.833 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -16.122 -1.186 7.095 1.00 0.00 N ATOM 0 H ARG A 76 -9.976 -1.806 7.255 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.050 -4.278 8.574 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.478 -4.666 8.925 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.917 -3.184 9.673 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.707 -2.166 7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.760 -3.565 7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.573 -2.874 9.600 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.515 -1.477 9.555 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.005 -0.387 8.126 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.752 -3.833 8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.279 -3.667 7.440 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.967 -0.182 7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.964 -1.608 6.703 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.601 -5.874 6.742 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.739 -6.771 5.601 1.00 0.00 C ATOM 1178 C ARG A 77 -11.209 -6.974 5.244 1.00 0.00 C ATOM 1179 O ARG A 77 -11.590 -6.898 4.077 1.00 0.00 O ATOM 1180 CB ARG A 77 -9.086 -8.120 5.904 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.598 -8.024 6.201 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.937 -9.393 6.185 1.00 0.00 C ATOM 1183 NE ARG A 77 -5.813 -9.469 7.114 1.00 0.00 N ATOM 1184 CZ ARG A 77 -5.329 -10.610 7.591 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -5.868 -11.766 7.227 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -4.304 -10.598 8.433 1.00 0.00 N ATOM 0 H ARG A 77 -9.188 -6.304 7.569 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.235 -6.315 4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.590 -8.574 6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.236 -8.786 5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.120 -7.379 5.464 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.450 -7.559 7.175 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.673 -10.154 6.444 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.589 -9.616 5.176 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.375 -8.598 7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.656 -11.780 6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.495 -12.641 7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.886 -9.711 8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.934 -11.475 8.798 1.00 0.00 H new ATOM 1200 N GLU A 78 -12.029 -7.233 6.258 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.456 -7.449 6.051 1.00 0.00 C ATOM 1202 C GLU A 78 -13.992 -6.528 4.958 1.00 0.00 C ATOM 1203 O GLU A 78 -14.775 -6.948 4.107 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.224 -7.215 7.353 1.00 0.00 C ATOM 1205 CG GLU A 78 -13.569 -6.198 8.272 1.00 0.00 C ATOM 1206 CD GLU A 78 -12.652 -6.841 9.294 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -11.836 -7.701 8.900 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -12.750 -6.485 10.487 1.00 0.00 O ATOM 0 H GLU A 78 -11.729 -7.298 7.231 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.599 -8.482 5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.233 -6.879 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.320 -8.162 7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.999 -5.488 7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.342 -5.630 8.789 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.564 -5.270 4.990 1.00 0.00 N ATOM 1216 CA ALA A 79 -13.998 -4.290 4.003 1.00 0.00 C ATOM 1217 C ALA A 79 -13.635 -4.735 2.590 1.00 0.00 C ATOM 1218 O ALA A 79 -14.490 -4.787 1.706 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.386 -2.930 4.304 1.00 0.00 C ATOM 0 H ALA A 79 -12.917 -4.906 5.689 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.083 -4.208 4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.719 -2.208 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.701 -2.600 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.299 -3.006 4.275 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.361 -5.054 2.385 1.00 0.00 N ATOM 1226 CA VAL A 80 -11.885 -5.495 1.079 1.00 0.00 C ATOM 1227 C VAL A 80 -12.930 -6.351 0.373 1.00 0.00 C ATOM 1228 O VAL A 80 -13.200 -6.164 -0.813 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.577 -6.300 1.202 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.146 -6.829 -0.158 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.482 -5.445 1.822 1.00 0.00 C ATOM 0 H VAL A 80 -11.640 -5.015 3.106 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.698 -4.597 0.490 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.755 -7.153 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.221 -7.395 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.924 -7.478 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.984 -5.993 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.565 -6.029 1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.303 -4.572 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.792 -5.120 2.815 1.00 0.00 H new ATOM 1241 N GLN A 81 -13.516 -7.289 1.110 1.00 0.00 N ATOM 1242 CA GLN A 81 -14.532 -8.174 0.553 1.00 0.00 C ATOM 1243 C GLN A 81 -15.852 -8.026 1.303 1.00 0.00 C ATOM 1244 O GLN A 81 -16.187 -8.845 2.159 1.00 0.00 O ATOM 1245 CB GLN A 81 -14.060 -9.627 0.610 1.00 0.00 C ATOM 1246 CG GLN A 81 -13.244 -10.050 -0.601 1.00 0.00 C ATOM 1247 CD GLN A 81 -14.091 -10.209 -1.848 1.00 0.00 C ATOM 1248 OE1 GLN A 81 -14.861 -9.318 -2.208 1.00 0.00 O ATOM 1249 NE2 GLN A 81 -13.953 -11.349 -2.516 1.00 0.00 N ATOM 0 H GLN A 81 -13.305 -7.456 2.094 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.692 -7.893 -0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.461 -9.771 1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.929 -10.279 0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.466 -9.310 -0.787 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.742 -10.993 -0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.303 -12.060 -2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.497 -11.513 -3.363 1.00 0.00 H new ATOM 1258 N ARG A 82 -16.598 -6.975 0.976 1.00 0.00 N ATOM 1259 CA ARG A 82 -17.881 -6.719 1.619 1.00 0.00 C ATOM 1260 C ARG A 82 -18.836 -7.892 1.413 1.00 0.00 C ATOM 1261 O ARG A 82 -18.841 -8.524 0.358 1.00 0.00 O ATOM 1262 CB ARG A 82 -18.506 -5.436 1.068 1.00 0.00 C ATOM 1263 CG ARG A 82 -19.782 -5.024 1.782 1.00 0.00 C ATOM 1264 CD ARG A 82 -20.073 -3.544 1.593 1.00 0.00 C ATOM 1265 NE ARG A 82 -20.521 -3.243 0.236 1.00 0.00 N ATOM 1266 CZ ARG A 82 -20.464 -2.031 -0.305 1.00 0.00 C ATOM 1267 NH1 ARG A 82 -19.980 -1.012 0.392 1.00 0.00 N ATOM 1268 NH2 ARG A 82 -20.891 -1.837 -1.546 1.00 0.00 N ATOM 0 H ARG A 82 -16.336 -6.288 0.270 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.705 -6.599 2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.780 -4.627 1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -18.721 -5.573 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.618 -5.612 1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -19.693 -5.245 2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -20.837 -3.231 2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -19.175 -2.967 1.815 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.898 -4.005 -0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.650 -1.158 1.346 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.937 -0.083 -0.026 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.263 -2.619 -2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.847 -0.906 -1.961 1.00 0.00 H new ATOM 1282 N GLY A 83 -19.644 -8.176 2.431 1.00 0.00 N ATOM 1283 CA GLY A 83 -20.591 -9.272 2.342 1.00 0.00 C ATOM 1284 C GLY A 83 -21.890 -8.975 3.064 1.00 0.00 C ATOM 1285 O GLY A 83 -22.639 -8.081 2.667 1.00 0.00 O ATOM 0 H GLY A 83 -19.659 -7.667 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -20.801 -9.482 1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -20.142 -10.171 2.763 1.00 0.00 H new ATOM 1289 N SER A 84 -22.161 -9.727 4.126 1.00 0.00 N ATOM 1290 CA SER A 84 -23.382 -9.544 4.902 1.00 0.00 C ATOM 1291 C SER A 84 -23.059 -9.110 6.328 1.00 0.00 C ATOM 1292 O SER A 84 -23.447 -8.027 6.763 1.00 0.00 O ATOM 1293 CB SER A 84 -24.198 -10.838 4.922 1.00 0.00 C ATOM 1294 OG SER A 84 -25.297 -10.733 5.810 1.00 0.00 O ATOM 0 H SER A 84 -21.551 -10.469 4.469 1.00 0.00 H new ATOM 0 HA SER A 84 -23.971 -8.760 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 84 -24.558 -11.060 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 84 -23.561 -11.669 5.224 1.00 0.00 H new ATOM 0 HG SER A 84 -25.804 -11.572 5.804 1.00 0.00 H new ATOM 1300 N GLY A 85 -22.345 -9.966 7.053 1.00 0.00 N ATOM 1301 CA GLY A 85 -21.981 -9.655 8.423 1.00 0.00 C ATOM 1302 C GLY A 85 -20.624 -10.212 8.803 1.00 0.00 C ATOM 1303 O GLY A 85 -19.864 -10.685 7.958 1.00 0.00 O ATOM 0 H GLY A 85 -22.012 -10.869 6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -21.977 -8.573 8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -22.737 -10.058 9.097 1.00 0.00 H new ATOM 1307 N PRO A 86 -20.301 -10.158 10.104 1.00 0.00 N ATOM 1308 CA PRO A 86 -19.024 -10.656 10.624 1.00 0.00 C ATOM 1309 C PRO A 86 -18.926 -12.176 10.562 1.00 0.00 C ATOM 1310 O PRO A 86 -19.267 -12.870 11.520 1.00 0.00 O ATOM 1311 CB PRO A 86 -19.023 -10.179 12.079 1.00 0.00 C ATOM 1312 CG PRO A 86 -20.463 -10.035 12.431 1.00 0.00 C ATOM 1313 CD PRO A 86 -21.158 -9.608 11.168 1.00 0.00 C ATOM 0 HA PRO A 86 -18.177 -10.293 10.041 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -18.526 -10.897 12.731 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -18.493 -9.233 12.185 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -20.870 -10.976 12.801 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -20.600 -9.296 13.220 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -22.172 -10.005 11.113 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -21.237 -8.523 11.100 1.00 0.00 H new ATOM 1321 N SER A 87 -18.457 -12.689 9.429 1.00 0.00 N ATOM 1322 CA SER A 87 -18.317 -14.128 9.241 1.00 0.00 C ATOM 1323 C SER A 87 -16.941 -14.471 8.677 1.00 0.00 C ATOM 1324 O SER A 87 -16.782 -14.655 7.470 1.00 0.00 O ATOM 1325 CB SER A 87 -19.409 -14.650 8.305 1.00 0.00 C ATOM 1326 OG SER A 87 -19.409 -13.943 7.077 1.00 0.00 O ATOM 0 H SER A 87 -18.167 -12.129 8.627 1.00 0.00 H new ATOM 0 HA SER A 87 -18.422 -14.609 10.214 1.00 0.00 H new ATOM 0 HB2 SER A 87 -19.254 -15.712 8.117 1.00 0.00 H new ATOM 0 HB3 SER A 87 -20.382 -14.551 8.785 1.00 0.00 H new ATOM 0 HG SER A 87 -18.497 -13.905 6.721 1.00 0.00 H new ATOM 1332 N SER A 88 -15.951 -14.555 9.559 1.00 0.00 N ATOM 1333 CA SER A 88 -14.588 -14.871 9.150 1.00 0.00 C ATOM 1334 C SER A 88 -14.002 -15.977 10.022 1.00 0.00 C ATOM 1335 O SER A 88 -13.292 -15.709 10.991 1.00 0.00 O ATOM 1336 CB SER A 88 -13.706 -13.624 9.228 1.00 0.00 C ATOM 1337 OG SER A 88 -14.049 -12.692 8.217 1.00 0.00 O ATOM 0 H SER A 88 -16.067 -14.409 10.562 1.00 0.00 H new ATOM 0 HA SER A 88 -14.617 -15.222 8.118 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.815 -13.159 10.208 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.659 -13.908 9.125 1.00 0.00 H new ATOM 0 HG SER A 88 -13.472 -11.903 8.290 1.00 0.00 H new ATOM 1343 N GLY A 89 -14.305 -17.223 9.671 1.00 0.00 N ATOM 1344 CA GLY A 89 -13.801 -18.352 10.431 1.00 0.00 C ATOM 1345 C GLY A 89 -13.430 -19.527 9.548 1.00 0.00 C ATOM 1346 O GLY A 89 -13.972 -19.645 8.450 1.00 0.00 O ATOM 0 H GLY A 89 -14.891 -17.471 8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.926 -18.040 11.002 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.556 -18.667 11.151 1.00 0.00 H new TER 1350 GLY A 89 HETATM 1351 ZN ZN A 191 -0.541 5.474 0.212 1.00 0.00 ZN HETATM 1352 ZN ZN A 241 10.029 -4.576 5.335 1.00 0.00 ZN