USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 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 55 GLN : amide:sc= -4.24 X(o=-3.6,f=-3.3) USER MOD Set 1.2: A 56 SER OG : rot -102:sc= 0.691 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 68:sc= -2.76! USER MOD Single : A 18 LYS NZ :NH3+ -151:sc= 0.999 (180deg=0.266) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.81 X(o=-0.81,f=-0.71) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 55:sc= 0.353 USER MOD Single : A 58 GLN : amide:sc= -6.14! C(o=-6.1!,f=-8.2!) USER MOD Single : A 59 LYS NZ :NH3+ 139:sc= -1.08! (180deg=-1.86) USER MOD Single : A 63 SER OG : rot 140:sc= -0.557 USER MOD Single : A 75 SER OG : rot -63:sc= 1.21 USER MOD Single : A 92 SER OG : rot 170:sc= -2.87! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.358 11.215 -6.689 1.00 0.00 N ATOM 2 CA ALA A 1 -3.750 10.784 -6.974 1.00 0.00 C ATOM 3 C ALA A 1 -4.759 11.639 -6.211 1.00 0.00 C ATOM 4 O ALA A 1 -4.676 11.776 -4.990 1.00 0.00 O ATOM 5 CB ALA A 1 -3.929 9.314 -6.624 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.694 10.617 -7.221 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.236 12.207 -6.976 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.168 11.123 -5.671 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.934 10.918 -8.040 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.954 9.011 -6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.241 8.712 -7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.720 9.164 -5.565 1.00 0.00 H new ATOM 13 N VAL A 2 -5.714 12.209 -6.941 1.00 0.00 N ATOM 14 CA VAL A 2 -6.747 13.047 -6.339 1.00 0.00 C ATOM 15 C VAL A 2 -7.646 12.217 -5.417 1.00 0.00 C ATOM 16 O VAL A 2 -7.578 10.988 -5.417 1.00 0.00 O ATOM 17 CB VAL A 2 -7.609 13.738 -7.423 1.00 0.00 C ATOM 18 CG1 VAL A 2 -8.429 14.874 -6.828 1.00 0.00 C ATOM 19 CG2 VAL A 2 -6.737 14.251 -8.565 1.00 0.00 C ATOM 0 H VAL A 2 -5.794 12.105 -7.953 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.246 13.816 -5.752 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.298 12.995 -7.824 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.025 15.342 -7.612 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.090 14.480 -6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.760 15.615 -6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.365 14.733 -9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.017 14.972 -8.178 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.205 13.416 -9.020 1.00 0.00 H new ATOM 29 N LEU A 3 -8.467 12.892 -4.616 1.00 0.00 N ATOM 30 CA LEU A 3 -9.343 12.233 -3.680 1.00 0.00 C ATOM 31 C LEU A 3 -10.474 11.490 -4.363 1.00 0.00 C ATOM 32 O LEU A 3 -10.641 11.553 -5.582 1.00 0.00 O ATOM 33 CB LEU A 3 -9.917 13.266 -2.710 1.00 0.00 C ATOM 34 CG LEU A 3 -9.185 13.375 -1.376 1.00 0.00 C ATOM 35 CD1 LEU A 3 -8.454 12.085 -1.081 1.00 0.00 C ATOM 36 CD2 LEU A 3 -8.221 14.552 -1.385 1.00 0.00 C ATOM 0 H LEU A 3 -8.536 13.910 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.751 11.492 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.906 14.242 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.961 13.019 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.918 13.549 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.934 12.171 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.170 11.264 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.730 11.888 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.710 14.611 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.487 14.415 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.775 15.475 -1.559 1.00 0.00 H new ATOM 48 N ASP A 4 -11.234 10.764 -3.551 1.00 0.00 N ATOM 49 CA ASP A 4 -12.334 9.972 -4.039 1.00 0.00 C ATOM 50 C ASP A 4 -13.573 10.825 -4.286 1.00 0.00 C ATOM 51 O ASP A 4 -13.909 11.154 -5.425 1.00 0.00 O ATOM 52 CB ASP A 4 -12.656 8.842 -3.052 1.00 0.00 C ATOM 53 CG ASP A 4 -13.836 7.989 -3.488 1.00 0.00 C ATOM 54 OD1 ASP A 4 -14.539 8.382 -4.442 1.00 0.00 O ATOM 55 OD2 ASP A 4 -14.053 6.921 -2.876 1.00 0.00 O ATOM 0 H ASP A 4 -11.098 10.714 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.033 9.538 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.778 8.206 -2.938 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -12.868 9.272 -2.073 1.00 0.00 H new ATOM 60 N LEU A 5 -14.257 11.139 -3.202 1.00 0.00 N ATOM 61 CA LEU A 5 -15.479 11.899 -3.235 1.00 0.00 C ATOM 62 C LEU A 5 -15.606 12.782 -1.987 1.00 0.00 C ATOM 63 O LEU A 5 -14.681 13.528 -1.661 1.00 0.00 O ATOM 64 CB LEU A 5 -16.617 10.885 -3.357 1.00 0.00 C ATOM 65 CG LEU A 5 -16.909 9.977 -2.138 1.00 0.00 C ATOM 66 CD1 LEU A 5 -15.766 9.945 -1.149 1.00 0.00 C ATOM 67 CD2 LEU A 5 -18.231 10.350 -1.470 1.00 0.00 C ATOM 0 H LEU A 5 -13.969 10.866 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.503 12.587 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.529 11.433 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.402 10.241 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.008 8.961 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.025 9.293 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.870 9.566 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.578 10.952 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.406 9.693 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -18.187 11.384 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -19.045 10.239 -2.187 1.00 0.00 H new ATOM 79 N ASP A 6 -16.729 12.694 -1.283 1.00 0.00 N ATOM 80 CA ASP A 6 -16.922 13.469 -0.084 1.00 0.00 C ATOM 81 C ASP A 6 -16.005 12.926 0.986 1.00 0.00 C ATOM 82 O ASP A 6 -15.342 13.680 1.699 1.00 0.00 O ATOM 83 CB ASP A 6 -18.381 13.419 0.374 1.00 0.00 C ATOM 84 CG ASP A 6 -18.983 14.802 0.519 1.00 0.00 C ATOM 85 OD1 ASP A 6 -18.949 15.568 -0.466 1.00 0.00 O ATOM 86 OD2 ASP A 6 -19.484 15.121 1.618 1.00 0.00 O ATOM 0 H ASP A 6 -17.514 12.091 -1.530 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.683 14.514 -0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -18.966 12.843 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.443 12.896 1.328 1.00 0.00 H new ATOM 91 N VAL A 7 -15.925 11.608 1.053 1.00 0.00 N ATOM 92 CA VAL A 7 -15.025 10.975 1.992 1.00 0.00 C ATOM 93 C VAL A 7 -13.678 10.726 1.327 1.00 0.00 C ATOM 94 O VAL A 7 -13.554 9.904 0.420 1.00 0.00 O ATOM 95 CB VAL A 7 -15.562 9.669 2.623 1.00 0.00 C ATOM 96 CG1 VAL A 7 -16.836 9.943 3.407 1.00 0.00 C ATOM 97 CG2 VAL A 7 -15.791 8.577 1.589 1.00 0.00 C ATOM 0 H VAL A 7 -16.466 10.965 0.475 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.921 11.674 2.822 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.796 9.303 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -17.201 9.014 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -16.628 10.661 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.594 10.351 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.168 7.681 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.519 8.919 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.850 8.347 1.089 1.00 0.00 H new ATOM 107 N ARG A 8 -12.679 11.481 1.746 1.00 0.00 N ATOM 108 CA ARG A 8 -11.371 11.393 1.175 1.00 0.00 C ATOM 109 C ARG A 8 -10.663 10.103 1.564 1.00 0.00 C ATOM 110 O ARG A 8 -10.549 9.766 2.743 1.00 0.00 O ATOM 111 CB ARG A 8 -10.579 12.605 1.621 1.00 0.00 C ATOM 112 CG ARG A 8 -11.250 13.901 1.225 1.00 0.00 C ATOM 113 CD ARG A 8 -10.696 15.076 2.005 1.00 0.00 C ATOM 114 NE ARG A 8 -11.131 16.354 1.449 1.00 0.00 N ATOM 115 CZ ARG A 8 -10.733 17.537 1.908 1.00 0.00 C ATOM 116 NH1 ARG A 8 -9.905 17.611 2.942 1.00 0.00 N ATOM 117 NH2 ARG A 8 -11.161 18.650 1.330 1.00 0.00 N ATOM 0 H ARG A 8 -12.764 12.170 2.493 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.455 11.377 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.455 12.578 2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.581 12.566 1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.110 14.073 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.324 13.823 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.016 15.005 3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.607 15.031 2.003 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.779 16.339 0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.570 16.758 3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.603 18.521 3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.796 18.599 0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.856 19.557 1.682 1.00 0.00 H new ATOM 131 N THR A 9 -10.195 9.385 0.552 1.00 0.00 N ATOM 132 CA THR A 9 -9.507 8.134 0.744 1.00 0.00 C ATOM 133 C THR A 9 -8.005 8.304 0.552 1.00 0.00 C ATOM 134 O THR A 9 -7.484 9.416 0.604 1.00 0.00 O ATOM 135 CB THR A 9 -10.070 7.092 -0.221 1.00 0.00 C ATOM 136 OG1 THR A 9 -10.784 7.711 -1.275 1.00 0.00 O ATOM 137 CG2 THR A 9 -10.996 6.100 0.450 1.00 0.00 C ATOM 0 H THR A 9 -10.287 9.662 -0.425 1.00 0.00 H new ATOM 0 HA THR A 9 -9.667 7.792 1.767 1.00 0.00 H new ATOM 0 HB THR A 9 -9.203 6.554 -0.604 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.160 8.207 -1.846 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.362 5.387 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.454 5.567 1.231 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.840 6.631 0.891 1.00 0.00 H new ATOM 145 N CYS A 10 -7.313 7.191 0.354 1.00 0.00 N ATOM 146 CA CYS A 10 -5.866 7.208 0.174 1.00 0.00 C ATOM 147 C CYS A 10 -5.199 7.669 1.465 1.00 0.00 C ATOM 148 O CYS A 10 -4.553 8.716 1.507 1.00 0.00 O ATOM 149 CB CYS A 10 -5.457 8.128 -0.993 1.00 0.00 C ATOM 150 SG CYS A 10 -6.747 8.398 -2.260 1.00 0.00 S ATOM 0 H CYS A 10 -7.731 6.261 0.314 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.537 6.198 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.162 9.095 -0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.577 7.704 -1.478 1.00 0.00 H new ATOM 155 N LEU A 11 -5.385 6.886 2.526 1.00 0.00 N ATOM 156 CA LEU A 11 -4.827 7.213 3.835 1.00 0.00 C ATOM 157 C LEU A 11 -3.424 6.624 4.010 1.00 0.00 C ATOM 158 O LEU A 11 -3.189 5.446 3.721 1.00 0.00 O ATOM 159 CB LEU A 11 -5.756 6.694 4.940 1.00 0.00 C ATOM 160 CG LEU A 11 -5.676 7.443 6.274 1.00 0.00 C ATOM 161 CD1 LEU A 11 -6.694 8.572 6.316 1.00 0.00 C ATOM 162 CD2 LEU A 11 -5.896 6.488 7.437 1.00 0.00 C ATOM 0 H LEU A 11 -5.920 6.018 2.503 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.745 8.298 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.783 6.740 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.528 5.643 5.119 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.679 7.874 6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.622 9.092 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.494 9.273 5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.697 8.162 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.836 7.038 8.376 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.880 6.028 7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.130 5.713 7.421 1.00 0.00 H new ATOM 174 N PRO A 12 -2.461 7.437 4.484 1.00 0.00 N ATOM 175 CA PRO A 12 -1.089 6.977 4.691 1.00 0.00 C ATOM 176 C PRO A 12 -1.009 5.755 5.604 1.00 0.00 C ATOM 177 O PRO A 12 -2.032 5.192 6.002 1.00 0.00 O ATOM 178 CB PRO A 12 -0.386 8.162 5.354 1.00 0.00 C ATOM 179 CG PRO A 12 -1.235 9.355 5.089 1.00 0.00 C ATOM 180 CD PRO A 12 -2.637 8.857 4.848 1.00 0.00 C ATOM 0 HA PRO A 12 -0.637 6.670 3.748 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.272 7.996 6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.615 8.299 4.944 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.210 10.041 5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.867 9.905 4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.257 8.966 5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.126 9.415 4.049 1.00 0.00 H new ATOM 188 N CYS A 13 0.222 5.374 5.947 1.00 0.00 N ATOM 189 CA CYS A 13 0.479 4.241 6.812 1.00 0.00 C ATOM 190 C CYS A 13 1.850 4.368 7.451 1.00 0.00 C ATOM 191 O CYS A 13 2.548 5.363 7.254 1.00 0.00 O ATOM 192 CB CYS A 13 0.407 2.929 6.030 1.00 0.00 C ATOM 193 SG CYS A 13 -0.002 1.472 7.043 1.00 0.00 S ATOM 0 H CYS A 13 1.066 5.849 5.627 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.287 4.232 7.588 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.340 3.030 5.242 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.366 2.759 5.540 1.00 0.00 H new ATOM 198 N GLY A 14 2.247 3.341 8.187 1.00 0.00 N ATOM 199 CA GLY A 14 3.544 3.347 8.804 1.00 0.00 C ATOM 200 C GLY A 14 3.760 4.495 9.759 1.00 0.00 C ATOM 201 O GLY A 14 2.896 4.826 10.571 1.00 0.00 O ATOM 0 H GLY A 14 1.689 2.506 8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.685 2.409 9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.306 3.386 8.026 1.00 0.00 H new ATOM 205 N PRO A 15 4.946 5.092 9.683 1.00 0.00 N ATOM 206 CA PRO A 15 5.368 6.193 10.533 1.00 0.00 C ATOM 207 C PRO A 15 5.011 7.559 9.948 1.00 0.00 C ATOM 208 O PRO A 15 5.753 8.110 9.134 1.00 0.00 O ATOM 209 CB PRO A 15 6.876 5.964 10.540 1.00 0.00 C ATOM 210 CG PRO A 15 7.163 5.577 9.140 1.00 0.00 C ATOM 211 CD PRO A 15 6.011 4.696 8.752 1.00 0.00 C ATOM 0 HA PRO A 15 4.894 6.207 11.515 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.419 6.864 10.829 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.162 5.180 11.242 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.231 6.451 8.492 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.112 5.047 9.061 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.716 4.855 7.715 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.261 3.640 8.854 1.00 0.00 H new ATOM 219 N GLY A 16 3.867 8.096 10.369 1.00 0.00 N ATOM 220 CA GLY A 16 3.422 9.391 9.881 1.00 0.00 C ATOM 221 C GLY A 16 2.562 9.276 8.638 1.00 0.00 C ATOM 222 O GLY A 16 1.357 9.526 8.678 1.00 0.00 O ATOM 0 H GLY A 16 3.239 7.655 11.041 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.858 9.897 10.664 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.291 10.012 9.662 1.00 0.00 H new ATOM 226 N GLY A 17 3.183 8.872 7.538 1.00 0.00 N ATOM 227 CA GLY A 17 2.474 8.699 6.293 1.00 0.00 C ATOM 228 C GLY A 17 3.384 8.268 5.171 1.00 0.00 C ATOM 229 O GLY A 17 3.176 8.610 4.006 1.00 0.00 O ATOM 0 H GLY A 17 4.179 8.659 7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.688 7.956 6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.986 9.635 6.022 1.00 0.00 H new ATOM 233 N LYS A 18 4.390 7.511 5.544 1.00 0.00 N ATOM 234 CA LYS A 18 5.371 6.996 4.624 1.00 0.00 C ATOM 235 C LYS A 18 4.746 5.945 3.731 1.00 0.00 C ATOM 236 O LYS A 18 5.063 5.830 2.547 1.00 0.00 O ATOM 237 CB LYS A 18 6.516 6.401 5.431 1.00 0.00 C ATOM 238 CG LYS A 18 7.715 7.305 5.583 1.00 0.00 C ATOM 239 CD LYS A 18 7.299 8.754 5.627 1.00 0.00 C ATOM 240 CE LYS A 18 8.488 9.686 5.796 1.00 0.00 C ATOM 241 NZ LYS A 18 9.021 10.149 4.483 1.00 0.00 N ATOM 0 H LYS A 18 4.550 7.233 6.512 1.00 0.00 H new ATOM 0 HA LYS A 18 5.747 7.796 3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.147 6.140 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.835 5.474 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.253 7.050 6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.402 7.146 4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.769 9.006 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.601 8.905 6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.191 10.549 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.276 9.173 6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.039 10.343 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.870 9.410 3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.527 11.017 4.194 1.00 0.00 H new ATOM 255 N GLY A 19 3.841 5.201 4.324 1.00 0.00 N ATOM 256 CA GLY A 19 3.128 4.172 3.622 1.00 0.00 C ATOM 257 C GLY A 19 1.648 4.480 3.523 1.00 0.00 C ATOM 258 O GLY A 19 1.221 5.609 3.763 1.00 0.00 O ATOM 0 H GLY A 19 3.582 5.296 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.544 4.060 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.268 3.220 4.133 1.00 0.00 H new ATOM 262 N ARG A 20 0.871 3.474 3.169 1.00 0.00 N ATOM 263 CA ARG A 20 -0.558 3.613 3.030 1.00 0.00 C ATOM 264 C ARG A 20 -1.203 2.238 3.068 1.00 0.00 C ATOM 265 O ARG A 20 -0.505 1.225 3.105 1.00 0.00 O ATOM 266 CB ARG A 20 -0.877 4.326 1.728 1.00 0.00 C ATOM 267 CG ARG A 20 -0.543 3.502 0.509 1.00 0.00 C ATOM 268 CD ARG A 20 -1.589 3.672 -0.574 1.00 0.00 C ATOM 269 NE ARG A 20 -1.108 4.522 -1.657 1.00 0.00 N ATOM 270 CZ ARG A 20 -1.087 5.853 -1.605 1.00 0.00 C ATOM 271 NH1 ARG A 20 -1.536 6.492 -0.532 1.00 0.00 N ATOM 272 NH2 ARG A 20 -0.614 6.547 -2.629 1.00 0.00 N ATOM 0 H ARG A 20 1.219 2.536 2.970 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.956 4.207 3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.937 4.580 1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.324 5.264 1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.433 3.797 0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.472 2.450 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.863 2.695 -0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.492 4.106 -0.144 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.767 4.070 -2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.901 5.964 0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.516 7.511 -0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.266 6.062 -3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.597 7.566 -2.590 1.00 0.00 H new ATOM 286 N CYS A 21 -2.520 2.190 3.014 1.00 0.00 N ATOM 287 CA CYS A 21 -3.205 0.909 2.999 1.00 0.00 C ATOM 288 C CYS A 21 -3.145 0.339 1.594 1.00 0.00 C ATOM 289 O CYS A 21 -3.011 1.084 0.626 1.00 0.00 O ATOM 290 CB CYS A 21 -4.637 1.048 3.475 1.00 0.00 C ATOM 291 SG CYS A 21 -5.828 -0.107 2.703 1.00 0.00 S ATOM 0 H CYS A 21 -3.130 3.007 2.980 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.709 0.225 3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.660 0.901 4.555 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.969 2.069 3.285 1.00 0.00 H new ATOM 296 N PHE A 22 -3.214 -0.976 1.480 1.00 0.00 N ATOM 297 CA PHE A 22 -3.128 -1.614 0.175 1.00 0.00 C ATOM 298 C PHE A 22 -4.319 -2.540 -0.093 1.00 0.00 C ATOM 299 O PHE A 22 -5.356 -2.096 -0.586 1.00 0.00 O ATOM 300 CB PHE A 22 -1.785 -2.351 0.086 1.00 0.00 C ATOM 301 CG PHE A 22 -0.658 -1.389 -0.134 1.00 0.00 C ATOM 302 CD1 PHE A 22 -0.340 -0.455 0.836 1.00 0.00 C ATOM 303 CD2 PHE A 22 0.054 -1.384 -1.316 1.00 0.00 C ATOM 304 CE1 PHE A 22 0.675 0.457 0.630 1.00 0.00 C ATOM 305 CE2 PHE A 22 1.064 -0.469 -1.531 1.00 0.00 C ATOM 306 CZ PHE A 22 1.376 0.451 -0.557 1.00 0.00 C ATOM 0 H PHE A 22 -3.328 -1.618 2.265 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.174 -0.854 -0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.614 -2.914 1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.816 -3.073 -0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.892 -0.440 1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.183 -2.106 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.920 1.175 1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.609 -0.475 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.168 1.167 -0.722 1.00 0.00 H new ATOM 316 N GLY A 23 -4.164 -3.821 0.203 1.00 0.00 N ATOM 317 CA GLY A 23 -5.233 -4.770 -0.044 1.00 0.00 C ATOM 318 C GLY A 23 -6.074 -5.112 1.183 1.00 0.00 C ATOM 319 O GLY A 23 -6.904 -4.308 1.608 1.00 0.00 O ATOM 0 H GLY A 23 -3.319 -4.222 0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.888 -4.367 -0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.801 -5.689 -0.440 1.00 0.00 H new ATOM 323 N PRO A 24 -5.912 -6.326 1.749 1.00 0.00 N ATOM 324 CA PRO A 24 -6.687 -6.799 2.894 1.00 0.00 C ATOM 325 C PRO A 24 -5.929 -6.726 4.215 1.00 0.00 C ATOM 326 O PRO A 24 -4.946 -7.442 4.408 1.00 0.00 O ATOM 327 CB PRO A 24 -6.896 -8.253 2.500 1.00 0.00 C ATOM 328 CG PRO A 24 -5.604 -8.645 1.848 1.00 0.00 C ATOM 329 CD PRO A 24 -4.988 -7.377 1.294 1.00 0.00 C ATOM 0 HA PRO A 24 -7.586 -6.209 3.072 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.108 -8.875 3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.737 -8.364 1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.935 -9.116 2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.777 -9.370 1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.979 -7.219 1.676 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.916 -7.406 0.207 1.00 0.00 H new ATOM 337 N SER A 25 -6.380 -5.863 5.128 1.00 0.00 N ATOM 338 CA SER A 25 -5.716 -5.724 6.425 1.00 0.00 C ATOM 339 C SER A 25 -4.229 -5.515 6.232 1.00 0.00 C ATOM 340 O SER A 25 -3.434 -5.805 7.123 1.00 0.00 O ATOM 341 CB SER A 25 -5.909 -6.986 7.262 1.00 0.00 C ATOM 342 OG SER A 25 -6.032 -6.673 8.640 1.00 0.00 O ATOM 0 H SER A 25 -7.191 -5.258 4.996 1.00 0.00 H new ATOM 0 HA SER A 25 -6.156 -4.867 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.800 -7.516 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.063 -7.657 7.113 1.00 0.00 H new ATOM 0 HG SER A 25 -6.156 -7.499 9.153 1.00 0.00 H new ATOM 348 N ILE A 26 -3.847 -5.070 5.049 1.00 0.00 N ATOM 349 CA ILE A 26 -2.451 -4.903 4.742 1.00 0.00 C ATOM 350 C ILE A 26 -2.040 -3.449 4.583 1.00 0.00 C ATOM 351 O ILE A 26 -2.867 -2.544 4.458 1.00 0.00 O ATOM 352 CB ILE A 26 -2.096 -5.687 3.466 1.00 0.00 C ATOM 353 CG1 ILE A 26 -0.652 -6.140 3.490 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.331 -4.846 2.236 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.414 -7.362 2.629 1.00 0.00 C ATOM 0 H ILE A 26 -4.485 -4.821 4.293 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.896 -5.295 5.594 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.744 -6.563 3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.014 -5.327 3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.361 -6.361 4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.073 -5.422 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.381 -4.556 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.709 -3.952 2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.637 -7.645 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.030 -8.186 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.678 -7.136 1.596 1.00 0.00 H new ATOM 367 N CYS A 27 -0.735 -3.263 4.584 1.00 0.00 N ATOM 368 CA CYS A 27 -0.114 -1.977 4.441 1.00 0.00 C ATOM 369 C CYS A 27 1.295 -2.195 3.918 1.00 0.00 C ATOM 370 O CYS A 27 1.939 -3.185 4.270 1.00 0.00 O ATOM 371 CB CYS A 27 -0.111 -1.268 5.775 1.00 0.00 C ATOM 372 SG CYS A 27 -1.049 0.289 5.779 1.00 0.00 S ATOM 0 H CYS A 27 -0.067 -4.027 4.687 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.661 -1.349 3.738 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.527 -1.934 6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.919 -1.062 6.064 1.00 0.00 H new ATOM 377 N CYS A 28 1.764 -1.317 3.056 1.00 0.00 N ATOM 378 CA CYS A 28 3.068 -1.498 2.475 1.00 0.00 C ATOM 379 C CYS A 28 3.752 -0.172 2.194 1.00 0.00 C ATOM 380 O CYS A 28 3.403 0.507 1.227 1.00 0.00 O ATOM 381 CB CYS A 28 2.896 -2.280 1.173 1.00 0.00 C ATOM 382 SG CYS A 28 3.913 -3.784 0.994 1.00 0.00 S ATOM 0 H CYS A 28 1.265 -0.482 2.748 1.00 0.00 H new ATOM 0 HA CYS A 28 3.700 -2.040 3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.847 -2.563 1.080 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.122 -1.613 0.341 1.00 0.00 H new ATOM 387 N GLY A 29 4.731 0.205 3.008 1.00 0.00 N ATOM 388 CA GLY A 29 5.419 1.411 2.756 1.00 0.00 C ATOM 389 C GLY A 29 6.648 1.122 1.925 1.00 0.00 C ATOM 390 O GLY A 29 7.500 0.350 2.360 1.00 0.00 O ATOM 0 H GLY A 29 5.044 -0.314 3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.768 2.111 2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.705 1.883 3.696 1.00 0.00 H new ATOM 394 N ASP A 30 6.757 1.695 0.725 1.00 0.00 N ATOM 395 CA ASP A 30 7.912 1.411 -0.125 1.00 0.00 C ATOM 396 C ASP A 30 9.162 1.797 0.639 1.00 0.00 C ATOM 397 O ASP A 30 9.998 0.951 0.958 1.00 0.00 O ATOM 398 CB ASP A 30 7.828 2.202 -1.436 1.00 0.00 C ATOM 399 CG ASP A 30 8.870 1.761 -2.447 1.00 0.00 C ATOM 400 OD1 ASP A 30 9.991 1.407 -2.028 1.00 0.00 O ATOM 401 OD2 ASP A 30 8.564 1.774 -3.658 1.00 0.00 O ATOM 0 H ASP A 30 6.077 2.343 0.328 1.00 0.00 H new ATOM 0 HA ASP A 30 7.934 0.351 -0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.834 2.081 -1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.957 3.264 -1.225 1.00 0.00 H new ATOM 406 N GLU A 31 9.231 3.052 1.019 1.00 0.00 N ATOM 407 CA GLU A 31 10.308 3.533 1.846 1.00 0.00 C ATOM 408 C GLU A 31 9.991 3.174 3.298 1.00 0.00 C ATOM 409 O GLU A 31 10.464 3.826 4.229 1.00 0.00 O ATOM 410 CB GLU A 31 10.411 5.046 1.721 1.00 0.00 C ATOM 411 CG GLU A 31 9.125 5.759 2.113 1.00 0.00 C ATOM 412 CD GLU A 31 9.393 7.090 2.784 1.00 0.00 C ATOM 413 OE1 GLU A 31 10.385 7.184 3.538 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.611 8.037 2.561 1.00 0.00 O ATOM 0 H GLU A 31 8.545 3.763 0.764 1.00 0.00 H new ATOM 0 HA GLU A 31 11.250 3.081 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.226 5.403 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.666 5.305 0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.514 5.918 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.549 5.124 2.786 1.00 0.00 H new ATOM 421 N LEU A 32 9.107 2.190 3.471 1.00 0.00 N ATOM 422 CA LEU A 32 8.629 1.811 4.783 1.00 0.00 C ATOM 423 C LEU A 32 8.215 0.340 4.845 1.00 0.00 C ATOM 424 O LEU A 32 7.274 -0.019 5.541 1.00 0.00 O ATOM 425 CB LEU A 32 7.463 2.751 5.066 1.00 0.00 C ATOM 426 CG LEU A 32 6.741 2.645 6.399 1.00 0.00 C ATOM 427 CD1 LEU A 32 5.393 2.007 6.173 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.547 1.899 7.458 1.00 0.00 C ATOM 0 H LEU A 32 8.711 1.643 2.707 1.00 0.00 H new ATOM 0 HA LEU A 32 9.411 1.903 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.833 3.772 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.724 2.606 4.278 1.00 0.00 H new ATOM 0 HG LEU A 32 6.610 3.651 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.865 1.926 7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.811 2.621 5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.528 1.013 5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.977 1.857 8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.752 0.886 7.112 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.488 2.420 7.633 1.00 0.00 H new ATOM 440 N GLY A 33 8.937 -0.504 4.113 1.00 0.00 N ATOM 441 CA GLY A 33 8.661 -1.937 4.099 1.00 0.00 C ATOM 442 C GLY A 33 7.185 -2.286 4.155 1.00 0.00 C ATOM 443 O GLY A 33 6.331 -1.441 3.891 1.00 0.00 O ATOM 0 H GLY A 33 9.718 -0.220 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.091 -2.370 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.165 -2.401 4.947 1.00 0.00 H new ATOM 447 N CYS A 34 6.882 -3.549 4.458 1.00 0.00 N ATOM 448 CA CYS A 34 5.494 -4.002 4.491 1.00 0.00 C ATOM 449 C CYS A 34 5.085 -4.639 5.807 1.00 0.00 C ATOM 450 O CYS A 34 5.829 -5.410 6.409 1.00 0.00 O ATOM 451 CB CYS A 34 5.240 -5.004 3.375 1.00 0.00 C ATOM 452 SG CYS A 34 3.577 -4.869 2.663 1.00 0.00 S ATOM 0 H CYS A 34 7.571 -4.267 4.681 1.00 0.00 H new ATOM 0 HA CYS A 34 4.892 -3.103 4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.979 -4.857 2.587 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.383 -6.013 3.761 1.00 0.00 H new ATOM 457 N PHE A 35 3.862 -4.323 6.218 1.00 0.00 N ATOM 458 CA PHE A 35 3.274 -4.868 7.436 1.00 0.00 C ATOM 459 C PHE A 35 1.861 -5.378 7.140 1.00 0.00 C ATOM 460 O PHE A 35 0.976 -4.585 6.824 1.00 0.00 O ATOM 461 CB PHE A 35 3.219 -3.800 8.534 1.00 0.00 C ATOM 462 CG PHE A 35 4.410 -2.892 8.564 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.685 -2.071 7.489 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.257 -2.866 9.662 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.777 -1.239 7.499 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.360 -2.029 9.677 1.00 0.00 C ATOM 467 CZ PHE A 35 6.619 -1.214 8.590 1.00 0.00 C ATOM 0 H PHE A 35 3.249 -3.681 5.715 1.00 0.00 H new ATOM 0 HA PHE A 35 3.895 -5.693 7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.320 -3.199 8.396 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.127 -4.293 9.502 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.032 -2.083 6.629 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.055 -3.503 10.511 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.977 -0.602 6.650 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.016 -2.013 10.535 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.478 -0.560 8.596 1.00 0.00 H new ATOM 477 N VAL A 36 1.630 -6.686 7.253 1.00 0.00 N ATOM 478 CA VAL A 36 0.295 -7.223 6.998 1.00 0.00 C ATOM 479 C VAL A 36 -0.459 -7.405 8.300 1.00 0.00 C ATOM 480 O VAL A 36 -0.088 -8.221 9.145 1.00 0.00 O ATOM 481 CB VAL A 36 0.315 -8.560 6.234 1.00 0.00 C ATOM 482 CG1 VAL A 36 -1.057 -8.846 5.622 1.00 0.00 C ATOM 483 CG2 VAL A 36 1.397 -8.545 5.164 1.00 0.00 C ATOM 0 H VAL A 36 2.332 -7.379 7.513 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.210 -6.493 6.366 1.00 0.00 H new ATOM 0 HB VAL A 36 0.546 -9.360 6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.026 -9.794 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.804 -8.901 6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.320 -8.046 4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.397 -9.497 4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.200 -7.737 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.369 -8.390 5.632 1.00 0.00 H new ATOM 493 N GLY A 37 -1.515 -6.624 8.459 1.00 0.00 N ATOM 494 CA GLY A 37 -2.307 -6.690 9.674 1.00 0.00 C ATOM 495 C GLY A 37 -1.472 -6.389 10.907 1.00 0.00 C ATOM 496 O GLY A 37 -1.845 -6.746 12.026 1.00 0.00 O ATOM 0 H GLY A 37 -1.840 -5.945 7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.131 -5.979 9.610 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.749 -7.682 9.767 1.00 0.00 H new ATOM 500 N THR A 38 -0.332 -5.734 10.694 1.00 0.00 N ATOM 501 CA THR A 38 0.579 -5.378 11.776 1.00 0.00 C ATOM 502 C THR A 38 0.298 -3.961 12.262 1.00 0.00 C ATOM 503 O THR A 38 -0.360 -3.186 11.572 1.00 0.00 O ATOM 504 CB THR A 38 2.023 -5.476 11.279 1.00 0.00 C ATOM 505 OG1 THR A 38 2.194 -6.615 10.456 1.00 0.00 O ATOM 506 CG2 THR A 38 3.058 -5.553 12.380 1.00 0.00 C ATOM 0 H THR A 38 -0.017 -5.437 9.771 1.00 0.00 H new ATOM 0 HA THR A 38 0.429 -6.068 12.606 1.00 0.00 H new ATOM 0 HB THR A 38 2.185 -4.550 10.728 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.123 -6.659 10.147 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.053 -5.620 11.940 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.995 -4.660 13.001 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.872 -6.435 12.993 1.00 0.00 H new ATOM 514 N ALA A 39 0.810 -3.621 13.444 1.00 0.00 N ATOM 515 CA ALA A 39 0.615 -2.286 14.008 1.00 0.00 C ATOM 516 C ALA A 39 0.841 -1.202 12.957 1.00 0.00 C ATOM 517 O ALA A 39 -0.014 -0.353 12.734 1.00 0.00 O ATOM 518 CB ALA A 39 1.539 -2.067 15.197 1.00 0.00 C ATOM 0 H ALA A 39 1.361 -4.249 14.028 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.418 -2.217 14.348 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.379 -1.068 15.603 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.325 -2.810 15.966 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.576 -2.166 14.875 1.00 0.00 H new ATOM 524 N GLU A 40 1.995 -1.242 12.306 1.00 0.00 N ATOM 525 CA GLU A 40 2.327 -0.272 11.271 1.00 0.00 C ATOM 526 C GLU A 40 1.463 -0.456 10.018 1.00 0.00 C ATOM 527 O GLU A 40 1.726 0.161 8.986 1.00 0.00 O ATOM 528 CB GLU A 40 3.803 -0.402 10.910 1.00 0.00 C ATOM 529 CG GLU A 40 4.681 0.672 11.533 1.00 0.00 C ATOM 530 CD GLU A 40 5.314 0.221 12.836 1.00 0.00 C ATOM 531 OE1 GLU A 40 4.886 -0.822 13.374 1.00 0.00 O ATOM 532 OE2 GLU A 40 6.239 0.909 13.317 1.00 0.00 O ATOM 0 H GLU A 40 2.720 -1.939 12.477 1.00 0.00 H new ATOM 0 HA GLU A 40 2.125 0.724 11.664 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.161 -1.381 11.228 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.908 -0.361 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.465 0.949 10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.084 1.566 11.713 1.00 0.00 H new ATOM 539 N ALA A 41 0.459 -1.331 10.094 1.00 0.00 N ATOM 540 CA ALA A 41 -0.399 -1.610 8.946 1.00 0.00 C ATOM 541 C ALA A 41 -1.856 -1.201 9.169 1.00 0.00 C ATOM 542 O ALA A 41 -2.588 -0.944 8.213 1.00 0.00 O ATOM 543 CB ALA A 41 -0.349 -3.090 8.629 1.00 0.00 C ATOM 0 H ALA A 41 0.222 -1.856 10.936 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.018 -1.014 8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.989 -3.300 7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.676 -3.378 8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.698 -3.659 9.491 1.00 0.00 H new ATOM 549 N LEU A 42 -2.277 -1.186 10.426 1.00 0.00 N ATOM 550 CA LEU A 42 -3.660 -0.859 10.787 1.00 0.00 C ATOM 551 C LEU A 42 -4.247 0.336 10.033 1.00 0.00 C ATOM 552 O LEU A 42 -5.465 0.472 9.969 1.00 0.00 O ATOM 553 CB LEU A 42 -3.794 -0.632 12.298 1.00 0.00 C ATOM 554 CG LEU A 42 -2.715 0.238 12.962 1.00 0.00 C ATOM 555 CD1 LEU A 42 -1.990 1.109 11.947 1.00 0.00 C ATOM 556 CD2 LEU A 42 -3.332 1.103 14.051 1.00 0.00 C ATOM 0 H LEU A 42 -1.678 -1.398 11.224 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.242 -1.729 10.484 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.765 -0.175 12.489 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.797 -1.605 12.790 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.980 -0.432 13.409 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.235 1.709 12.456 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.509 0.476 11.202 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.706 1.767 11.455 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.557 1.714 14.513 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.092 1.751 13.614 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.790 0.465 14.807 1.00 0.00 H new ATOM 568 N ARG A 43 -3.417 1.193 9.461 1.00 0.00 N ATOM 569 CA ARG A 43 -3.931 2.348 8.730 1.00 0.00 C ATOM 570 C ARG A 43 -4.967 1.939 7.683 1.00 0.00 C ATOM 571 O ARG A 43 -5.788 2.753 7.262 1.00 0.00 O ATOM 572 CB ARG A 43 -2.794 3.102 8.065 1.00 0.00 C ATOM 573 CG ARG A 43 -2.619 4.516 8.594 1.00 0.00 C ATOM 574 CD ARG A 43 -2.449 4.520 10.104 1.00 0.00 C ATOM 575 NE ARG A 43 -1.446 5.487 10.543 1.00 0.00 N ATOM 576 CZ ARG A 43 -0.788 5.402 11.699 1.00 0.00 C ATOM 577 NH1 ARG A 43 -1.017 4.392 12.530 1.00 0.00 N ATOM 578 NH2 ARG A 43 0.106 6.327 12.023 1.00 0.00 N ATOM 0 H ARG A 43 -2.400 1.117 9.485 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.422 3.000 9.452 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.866 2.549 8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.974 3.143 6.991 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.749 4.977 8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.485 5.119 8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.405 4.751 10.575 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.161 3.523 10.438 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.237 6.274 9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.700 3.675 12.285 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.510 4.333 13.413 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.290 7.103 11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.609 6.262 12.908 1.00 0.00 H new ATOM 592 N CYS A 44 -4.928 0.678 7.271 1.00 0.00 N ATOM 593 CA CYS A 44 -5.868 0.173 6.283 1.00 0.00 C ATOM 594 C CYS A 44 -7.225 -0.102 6.912 1.00 0.00 C ATOM 595 O CYS A 44 -8.184 -0.417 6.211 1.00 0.00 O ATOM 596 CB CYS A 44 -5.312 -1.076 5.596 1.00 0.00 C ATOM 597 SG CYS A 44 -6.207 -1.563 4.084 1.00 0.00 S ATOM 0 H CYS A 44 -4.256 -0.012 7.606 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.007 0.941 5.522 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.266 -0.903 5.345 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.337 -1.906 6.302 1.00 0.00 H new ATOM 602 N GLN A 45 -7.319 0.057 8.232 1.00 0.00 N ATOM 603 CA GLN A 45 -8.579 -0.129 8.921 1.00 0.00 C ATOM 604 C GLN A 45 -9.596 0.848 8.343 1.00 0.00 C ATOM 605 O GLN A 45 -10.805 0.613 8.376 1.00 0.00 O ATOM 606 CB GLN A 45 -8.410 0.111 10.422 1.00 0.00 C ATOM 607 CG GLN A 45 -8.593 -1.139 11.270 1.00 0.00 C ATOM 608 CD GLN A 45 -7.775 -2.318 10.776 1.00 0.00 C ATOM 609 OE1 GLN A 45 -8.236 -3.459 10.797 1.00 0.00 O ATOM 610 NE2 GLN A 45 -6.552 -2.051 10.334 1.00 0.00 N ATOM 0 H GLN A 45 -6.538 0.313 8.836 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.925 -1.153 8.781 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.416 0.520 10.605 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.129 0.865 10.743 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.313 -0.916 12.300 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.648 -1.414 11.278 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.208 -1.091 10.334 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.956 -2.806 9.995 1.00 0.00 H new ATOM 619 N GLU A 46 -9.078 1.943 7.788 1.00 0.00 N ATOM 620 CA GLU A 46 -9.910 2.955 7.169 1.00 0.00 C ATOM 621 C GLU A 46 -10.377 2.465 5.804 1.00 0.00 C ATOM 622 O GLU A 46 -11.302 3.023 5.209 1.00 0.00 O ATOM 623 CB GLU A 46 -9.126 4.263 7.024 1.00 0.00 C ATOM 624 CG GLU A 46 -8.075 4.228 5.919 1.00 0.00 C ATOM 625 CD GLU A 46 -8.576 4.815 4.614 1.00 0.00 C ATOM 626 OE1 GLU A 46 -9.570 5.570 4.647 1.00 0.00 O ATOM 627 OE2 GLU A 46 -7.973 4.522 3.560 1.00 0.00 O ATOM 0 H GLU A 46 -8.079 2.146 7.758 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.781 3.141 7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.825 5.075 6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.637 4.490 7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.193 4.779 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.763 3.197 5.753 1.00 0.00 H new ATOM 634 N GLU A 47 -9.737 1.401 5.317 1.00 0.00 N ATOM 635 CA GLU A 47 -10.097 0.823 4.030 1.00 0.00 C ATOM 636 C GLU A 47 -11.474 0.164 4.084 1.00 0.00 C ATOM 637 O GLU A 47 -11.946 -0.383 3.088 1.00 0.00 O ATOM 638 CB GLU A 47 -9.052 -0.203 3.600 1.00 0.00 C ATOM 639 CG GLU A 47 -9.283 -0.764 2.204 1.00 0.00 C ATOM 640 CD GLU A 47 -9.402 -2.278 2.187 1.00 0.00 C ATOM 641 OE1 GLU A 47 -9.480 -2.882 3.278 1.00 0.00 O ATOM 642 OE2 GLU A 47 -9.419 -2.859 1.082 1.00 0.00 O ATOM 0 H GLU A 47 -8.971 0.927 5.795 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.132 1.632 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.065 0.259 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.047 -1.025 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.192 -0.329 1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.460 -0.462 1.556 1.00 0.00 H new ATOM 649 N ASN A 48 -12.125 0.221 5.245 1.00 0.00 N ATOM 650 CA ASN A 48 -13.445 -0.361 5.404 1.00 0.00 C ATOM 651 C ASN A 48 -14.424 0.222 4.385 1.00 0.00 C ATOM 652 O ASN A 48 -15.467 -0.368 4.103 1.00 0.00 O ATOM 653 CB ASN A 48 -13.956 -0.112 6.824 1.00 0.00 C ATOM 654 CG ASN A 48 -14.625 -1.333 7.423 1.00 0.00 C ATOM 655 OD1 ASN A 48 -15.493 -1.945 6.803 1.00 0.00 O ATOM 656 ND2 ASN A 48 -14.225 -1.691 8.637 1.00 0.00 N ATOM 0 H ASN A 48 -11.755 0.665 6.085 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.371 -1.435 5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.123 0.190 7.459 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.664 0.717 6.812 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.641 -2.503 9.092 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.501 -1.154 9.115 1.00 0.00 H new ATOM 663 N TYR A 49 -14.075 1.383 3.828 1.00 0.00 N ATOM 664 CA TYR A 49 -14.919 2.046 2.838 1.00 0.00 C ATOM 665 C TYR A 49 -15.094 1.169 1.599 1.00 0.00 C ATOM 666 O TYR A 49 -14.761 -0.015 1.619 1.00 0.00 O ATOM 667 CB TYR A 49 -14.300 3.392 2.442 1.00 0.00 C ATOM 668 CG TYR A 49 -14.397 4.472 3.495 1.00 0.00 C ATOM 669 CD1 TYR A 49 -14.970 4.211 4.720 1.00 0.00 C ATOM 670 CD2 TYR A 49 -13.922 5.754 3.251 1.00 0.00 C ATOM 671 CE1 TYR A 49 -15.074 5.192 5.689 1.00 0.00 C ATOM 672 CE2 TYR A 49 -14.017 6.743 4.210 1.00 0.00 C ATOM 673 CZ TYR A 49 -14.595 6.458 5.429 1.00 0.00 C ATOM 674 OH TYR A 49 -14.694 7.440 6.389 1.00 0.00 O ATOM 0 H TYR A 49 -13.213 1.882 4.047 1.00 0.00 H new ATOM 0 HA TYR A 49 -15.900 2.216 3.281 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -13.249 3.235 2.200 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -14.787 3.746 1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -15.346 3.220 4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.471 5.981 2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -15.528 4.968 6.643 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -13.641 7.735 4.006 1.00 0.00 H new ATOM 0 HH TYR A 49 -14.308 8.273 6.046 1.00 0.00 H new ATOM 684 N LEU A 50 -15.633 1.754 0.528 1.00 0.00 N ATOM 685 CA LEU A 50 -15.864 1.032 -0.708 1.00 0.00 C ATOM 686 C LEU A 50 -14.880 1.449 -1.806 1.00 0.00 C ATOM 687 O LEU A 50 -15.186 2.303 -2.637 1.00 0.00 O ATOM 688 CB LEU A 50 -17.304 1.235 -1.196 1.00 0.00 C ATOM 689 CG LEU A 50 -18.005 2.527 -0.750 1.00 0.00 C ATOM 690 CD1 LEU A 50 -17.188 3.760 -1.114 1.00 0.00 C ATOM 691 CD2 LEU A 50 -19.390 2.606 -1.375 1.00 0.00 C ATOM 0 H LEU A 50 -15.917 2.733 0.500 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.703 -0.025 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -17.302 1.207 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -17.901 0.389 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 50 -18.100 2.504 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -17.714 4.656 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -16.215 3.709 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -17.049 3.799 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -19.882 3.524 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -19.300 2.602 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -19.982 1.748 -1.057 1.00 0.00 H new ATOM 703 N PRO A 51 -13.684 0.846 -1.830 1.00 0.00 N ATOM 704 CA PRO A 51 -12.658 1.154 -2.832 1.00 0.00 C ATOM 705 C PRO A 51 -13.213 1.276 -4.250 1.00 0.00 C ATOM 706 O PRO A 51 -14.172 0.593 -4.611 1.00 0.00 O ATOM 707 CB PRO A 51 -11.729 -0.049 -2.726 1.00 0.00 C ATOM 708 CG PRO A 51 -11.789 -0.401 -1.286 1.00 0.00 C ATOM 709 CD PRO A 51 -13.223 -0.191 -0.885 1.00 0.00 C ATOM 0 HA PRO A 51 -12.183 2.118 -2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.064 -0.873 -3.356 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.714 0.198 -3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.482 -1.434 -1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.120 0.229 -0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.806 -1.108 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.308 0.140 0.150 1.00 0.00 H new ATOM 717 N SER A 52 -12.595 2.141 -5.053 1.00 0.00 N ATOM 718 CA SER A 52 -13.024 2.339 -6.434 1.00 0.00 C ATOM 719 C SER A 52 -12.055 3.242 -7.204 1.00 0.00 C ATOM 720 O SER A 52 -11.417 2.799 -8.159 1.00 0.00 O ATOM 721 CB SER A 52 -14.439 2.920 -6.478 1.00 0.00 C ATOM 722 OG SER A 52 -15.384 1.931 -6.850 1.00 0.00 O ATOM 0 H SER A 52 -11.799 2.713 -4.771 1.00 0.00 H new ATOM 0 HA SER A 52 -13.026 1.363 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 52 -14.699 3.327 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.474 3.747 -7.187 1.00 0.00 H new ATOM 0 HG SER A 52 -15.307 1.162 -6.248 1.00 0.00 H new ATOM 728 N PRO A 53 -11.932 4.524 -6.812 1.00 0.00 N ATOM 729 CA PRO A 53 -11.042 5.461 -7.490 1.00 0.00 C ATOM 730 C PRO A 53 -9.586 5.342 -7.028 1.00 0.00 C ATOM 731 O PRO A 53 -8.795 4.625 -7.640 1.00 0.00 O ATOM 732 CB PRO A 53 -11.628 6.824 -7.125 1.00 0.00 C ATOM 733 CG PRO A 53 -12.304 6.625 -5.806 1.00 0.00 C ATOM 734 CD PRO A 53 -12.654 5.160 -5.693 1.00 0.00 C ATOM 0 HA PRO A 53 -10.996 5.277 -8.563 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.847 7.582 -7.056 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.335 7.163 -7.882 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.648 6.927 -4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.201 7.240 -5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.341 4.749 -4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.729 5.001 -5.772 1.00 0.00 H new ATOM 742 N CYS A 54 -9.233 6.051 -5.956 1.00 0.00 N ATOM 743 CA CYS A 54 -7.869 6.027 -5.433 1.00 0.00 C ATOM 744 C CYS A 54 -7.753 5.098 -4.223 1.00 0.00 C ATOM 745 O CYS A 54 -7.364 3.939 -4.359 1.00 0.00 O ATOM 746 CB CYS A 54 -7.432 7.454 -5.068 1.00 0.00 C ATOM 747 SG CYS A 54 -5.988 7.562 -3.951 1.00 0.00 S ATOM 0 H CYS A 54 -9.873 6.649 -5.433 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.208 5.637 -6.207 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.202 7.993 -5.987 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.273 7.966 -4.600 1.00 0.00 H new ATOM 752 N GLN A 55 -8.090 5.619 -3.043 1.00 0.00 N ATOM 753 CA GLN A 55 -8.024 4.851 -1.792 1.00 0.00 C ATOM 754 C GLN A 55 -6.826 3.908 -1.734 1.00 0.00 C ATOM 755 O GLN A 55 -6.884 2.870 -1.076 1.00 0.00 O ATOM 756 CB GLN A 55 -9.312 4.064 -1.571 1.00 0.00 C ATOM 757 CG GLN A 55 -9.659 3.121 -2.711 1.00 0.00 C ATOM 758 CD GLN A 55 -8.858 1.835 -2.661 1.00 0.00 C ATOM 759 OE1 GLN A 55 -8.143 1.496 -3.605 1.00 0.00 O ATOM 760 NE2 GLN A 55 -8.969 1.112 -1.552 1.00 0.00 N ATOM 0 H GLN A 55 -8.415 6.579 -2.924 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.900 5.582 -0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.221 3.488 -0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.135 4.765 -1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.723 2.885 -2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.477 3.622 -3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.573 1.430 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.450 0.239 -1.458 1.00 0.00 H new ATOM 769 N SER A 56 -5.741 4.283 -2.408 1.00 0.00 N ATOM 770 CA SER A 56 -4.520 3.478 -2.431 1.00 0.00 C ATOM 771 C SER A 56 -3.586 3.950 -3.537 1.00 0.00 C ATOM 772 O SER A 56 -3.882 4.908 -4.252 1.00 0.00 O ATOM 773 CB SER A 56 -4.835 1.994 -2.651 1.00 0.00 C ATOM 774 OG SER A 56 -5.270 1.758 -3.979 1.00 0.00 O ATOM 0 H SER A 56 -5.682 5.145 -2.949 1.00 0.00 H new ATOM 0 HA SER A 56 -4.036 3.600 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.948 1.396 -2.444 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.606 1.675 -1.950 1.00 0.00 H new ATOM 0 HG SER A 56 -6.245 1.664 -3.992 1.00 0.00 H new ATOM 780 N GLY A 57 -2.468 3.254 -3.687 1.00 0.00 N ATOM 781 CA GLY A 57 -1.516 3.593 -4.719 1.00 0.00 C ATOM 782 C GLY A 57 -0.571 2.454 -4.961 1.00 0.00 C ATOM 783 O GLY A 57 0.481 2.365 -4.331 1.00 0.00 O ATOM 0 H GLY A 57 -2.205 2.457 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.043 3.837 -5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.956 4.481 -4.427 1.00 0.00 H new ATOM 787 N GLN A 58 -0.975 1.547 -5.836 1.00 0.00 N ATOM 788 CA GLN A 58 -0.188 0.374 -6.114 1.00 0.00 C ATOM 789 C GLN A 58 0.360 0.354 -7.539 1.00 0.00 C ATOM 790 O GLN A 58 -0.261 -0.195 -8.444 1.00 0.00 O ATOM 791 CB GLN A 58 -1.077 -0.828 -5.865 1.00 0.00 C ATOM 792 CG GLN A 58 -1.011 -1.310 -4.432 1.00 0.00 C ATOM 793 CD GLN A 58 -0.559 -2.751 -4.316 1.00 0.00 C ATOM 794 OE1 GLN A 58 0.354 -3.191 -5.014 1.00 0.00 O ATOM 795 NE2 GLN A 58 -1.199 -3.495 -3.425 1.00 0.00 N ATOM 0 H GLN A 58 -1.846 1.608 -6.363 1.00 0.00 H new ATOM 0 HA GLN A 58 0.687 0.364 -5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.107 -0.571 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.782 -1.638 -6.532 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.327 -0.673 -3.871 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.994 -1.204 -3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.950 -3.089 -2.867 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.940 -4.473 -3.297 1.00 0.00 H new ATOM 804 N LYS A 59 1.549 0.929 -7.706 1.00 0.00 N ATOM 805 CA LYS A 59 2.238 0.975 -8.986 1.00 0.00 C ATOM 806 C LYS A 59 2.585 -0.444 -9.453 1.00 0.00 C ATOM 807 O LYS A 59 3.488 -1.076 -8.917 1.00 0.00 O ATOM 808 CB LYS A 59 3.496 1.830 -8.841 1.00 0.00 C ATOM 809 CG LYS A 59 4.129 1.762 -7.462 1.00 0.00 C ATOM 810 CD LYS A 59 3.608 2.897 -6.586 1.00 0.00 C ATOM 811 CE LYS A 59 3.379 2.466 -5.139 1.00 0.00 C ATOM 812 NZ LYS A 59 4.411 1.503 -4.662 1.00 0.00 N ATOM 0 H LYS A 59 2.062 1.379 -6.948 1.00 0.00 H new ATOM 0 HA LYS A 59 1.590 1.422 -9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.228 1.511 -9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.247 2.867 -9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.904 0.802 -6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.214 1.828 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.319 3.723 -6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.673 3.272 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.383 3.346 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.393 2.011 -5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.683 1.740 -3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.024 0.538 -4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.247 1.557 -5.278 1.00 0.00 H new ATOM 826 N PRO A 60 1.816 -0.980 -10.420 1.00 0.00 N ATOM 827 CA PRO A 60 1.970 -2.352 -10.933 1.00 0.00 C ATOM 828 C PRO A 60 3.389 -2.858 -11.191 1.00 0.00 C ATOM 829 O PRO A 60 4.333 -2.090 -11.375 1.00 0.00 O ATOM 830 CB PRO A 60 1.193 -2.305 -12.244 1.00 0.00 C ATOM 831 CG PRO A 60 0.091 -1.348 -11.980 1.00 0.00 C ATOM 832 CD PRO A 60 0.661 -0.307 -11.055 1.00 0.00 C ATOM 0 HA PRO A 60 1.620 -3.054 -10.176 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.823 -1.970 -13.068 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.810 -3.289 -12.515 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.263 -0.895 -12.906 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.762 -1.851 -11.524 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.970 0.585 -11.601 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.072 0.011 -10.313 1.00 0.00 H new ATOM 840 N CYS A 61 3.479 -4.198 -11.260 1.00 0.00 N ATOM 841 CA CYS A 61 4.711 -4.921 -11.554 1.00 0.00 C ATOM 842 C CYS A 61 4.396 -6.368 -11.925 1.00 0.00 C ATOM 843 O CYS A 61 3.369 -6.927 -11.517 1.00 0.00 O ATOM 844 CB CYS A 61 5.716 -4.905 -10.396 1.00 0.00 C ATOM 845 SG CYS A 61 5.011 -4.551 -8.755 1.00 0.00 S ATOM 0 H CYS A 61 2.679 -4.812 -11.109 1.00 0.00 H new ATOM 0 HA CYS A 61 5.176 -4.402 -12.392 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.215 -5.873 -10.357 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.482 -4.160 -10.612 1.00 0.00 H new ATOM 850 N GLY A 62 5.290 -6.965 -12.703 1.00 0.00 N ATOM 851 CA GLY A 62 5.115 -8.334 -13.144 1.00 0.00 C ATOM 852 C GLY A 62 5.171 -9.359 -12.021 1.00 0.00 C ATOM 853 O GLY A 62 5.110 -10.560 -12.280 1.00 0.00 O ATOM 0 H GLY A 62 6.143 -6.518 -13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.155 -8.421 -13.653 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.887 -8.570 -13.876 1.00 0.00 H new ATOM 857 N SER A 63 5.300 -8.904 -10.779 1.00 0.00 N ATOM 858 CA SER A 63 5.373 -9.812 -9.656 1.00 0.00 C ATOM 859 C SER A 63 3.990 -10.075 -9.063 1.00 0.00 C ATOM 860 O SER A 63 3.768 -9.898 -7.866 1.00 0.00 O ATOM 861 CB SER A 63 6.320 -9.269 -8.587 1.00 0.00 C ATOM 862 OG SER A 63 6.642 -10.267 -7.635 1.00 0.00 O ATOM 0 H SER A 63 5.355 -7.916 -10.532 1.00 0.00 H new ATOM 0 HA SER A 63 5.766 -10.761 -10.020 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.233 -8.903 -9.057 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.857 -8.419 -8.085 1.00 0.00 H new ATOM 0 HG SER A 63 7.591 -10.200 -7.399 1.00 0.00 H new ATOM 868 N GLY A 64 3.069 -10.514 -9.917 1.00 0.00 N ATOM 869 CA GLY A 64 1.721 -10.822 -9.484 1.00 0.00 C ATOM 870 C GLY A 64 1.048 -9.700 -8.730 1.00 0.00 C ATOM 871 O GLY A 64 0.277 -9.939 -7.800 1.00 0.00 O ATOM 0 H GLY A 64 3.238 -10.662 -10.912 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.118 -11.073 -10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.747 -11.708 -8.850 1.00 0.00 H new ATOM 875 N GLY A 65 1.327 -8.482 -9.137 1.00 0.00 N ATOM 876 CA GLY A 65 0.726 -7.338 -8.500 1.00 0.00 C ATOM 877 C GLY A 65 1.424 -6.035 -8.750 1.00 0.00 C ATOM 878 O GLY A 65 2.090 -5.849 -9.767 1.00 0.00 O ATOM 0 H GLY A 65 1.964 -8.261 -9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.306 -7.252 -8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.693 -7.515 -7.425 1.00 0.00 H new ATOM 882 N ARG A 66 1.243 -5.112 -7.821 1.00 0.00 N ATOM 883 CA ARG A 66 1.833 -3.807 -7.938 1.00 0.00 C ATOM 884 C ARG A 66 2.851 -3.554 -6.841 1.00 0.00 C ATOM 885 O ARG A 66 2.788 -4.148 -5.769 1.00 0.00 O ATOM 886 CB ARG A 66 0.779 -2.706 -7.903 1.00 0.00 C ATOM 887 CG ARG A 66 -0.619 -3.134 -8.345 1.00 0.00 C ATOM 888 CD ARG A 66 -0.584 -3.915 -9.647 1.00 0.00 C ATOM 889 NE ARG A 66 -1.907 -4.115 -10.227 1.00 0.00 N ATOM 890 CZ ARG A 66 -2.193 -5.097 -11.081 1.00 0.00 C ATOM 891 NH1 ARG A 66 -1.276 -6.010 -11.389 1.00 0.00 N ATOM 892 NH2 ARG A 66 -3.401 -5.178 -11.618 1.00 0.00 N ATOM 0 H ARG A 66 0.688 -5.252 -6.977 1.00 0.00 H new ATOM 0 HA ARG A 66 2.337 -3.784 -8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.718 -2.315 -6.888 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.110 -1.887 -8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.075 -3.745 -7.566 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.248 -2.252 -8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.045 -3.387 -10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.120 -4.885 -9.470 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.652 -3.470 -9.965 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.347 -5.961 -10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.502 -6.759 -12.044 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.113 -4.488 -11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.619 -5.930 -12.272 1.00 0.00 H new ATOM 906 N CYS A 67 3.786 -2.654 -7.123 1.00 0.00 N ATOM 907 CA CYS A 67 4.823 -2.299 -6.174 1.00 0.00 C ATOM 908 C CYS A 67 4.202 -1.718 -4.919 1.00 0.00 C ATOM 909 O CYS A 67 3.090 -1.191 -4.950 1.00 0.00 O ATOM 910 CB CYS A 67 5.819 -1.318 -6.800 1.00 0.00 C ATOM 911 SG CYS A 67 7.324 -1.038 -5.808 1.00 0.00 S ATOM 0 H CYS A 67 3.843 -2.155 -8.011 1.00 0.00 H new ATOM 0 HA CYS A 67 5.372 -3.200 -5.902 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.110 -1.691 -7.782 1.00 0.00 H new ATOM 0 HB3 CYS A 67 5.319 -0.362 -6.957 1.00 0.00 H new ATOM 916 N ALA A 68 4.896 -1.859 -3.809 1.00 0.00 N ATOM 917 CA ALA A 68 4.371 -1.387 -2.546 1.00 0.00 C ATOM 918 C ALA A 68 5.477 -0.984 -1.556 1.00 0.00 C ATOM 919 O ALA A 68 5.918 0.166 -1.532 1.00 0.00 O ATOM 920 CB ALA A 68 3.484 -2.492 -1.989 1.00 0.00 C ATOM 0 H ALA A 68 5.818 -2.293 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 68 3.795 -0.475 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.066 -2.176 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.674 -2.696 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.076 -3.396 -1.845 1.00 0.00 H new ATOM 926 N ALA A 69 5.877 -1.930 -0.724 1.00 0.00 N ATOM 927 CA ALA A 69 6.900 -1.721 0.289 1.00 0.00 C ATOM 928 C ALA A 69 8.303 -1.722 -0.290 1.00 0.00 C ATOM 929 O ALA A 69 8.464 -1.768 -1.506 1.00 0.00 O ATOM 930 CB ALA A 69 6.779 -2.771 1.372 1.00 0.00 C ATOM 0 H ALA A 69 5.497 -2.876 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 69 6.733 -0.732 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.549 -2.607 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.795 -2.703 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.905 -3.761 0.934 1.00 0.00 H new ATOM 936 N ALA A 70 9.327 -1.663 0.590 1.00 0.00 N ATOM 937 CA ALA A 70 10.716 -1.664 0.125 1.00 0.00 C ATOM 938 C ALA A 70 10.878 -2.712 -0.934 1.00 0.00 C ATOM 939 O ALA A 70 11.092 -3.875 -0.611 1.00 0.00 O ATOM 940 CB ALA A 70 11.701 -1.978 1.239 1.00 0.00 C ATOM 0 H ALA A 70 9.214 -1.615 1.603 1.00 0.00 H new ATOM 0 HA ALA A 70 10.928 -0.664 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.716 -1.966 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.611 -1.229 2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.484 -2.964 1.650 1.00 0.00 H new ATOM 946 N GLY A 71 10.713 -2.339 -2.183 1.00 0.00 N ATOM 947 CA GLY A 71 10.801 -3.329 -3.210 1.00 0.00 C ATOM 948 C GLY A 71 9.827 -4.446 -2.941 1.00 0.00 C ATOM 949 O GLY A 71 10.214 -5.583 -2.682 1.00 0.00 O ATOM 0 H GLY A 71 10.524 -1.387 -2.497 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.589 -2.878 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.815 -3.725 -3.258 1.00 0.00 H new ATOM 953 N ILE A 72 8.558 -4.114 -3.010 1.00 0.00 N ATOM 954 CA ILE A 72 7.511 -5.069 -2.782 1.00 0.00 C ATOM 955 C ILE A 72 6.466 -4.919 -3.858 1.00 0.00 C ATOM 956 O ILE A 72 6.197 -3.822 -4.329 1.00 0.00 O ATOM 957 CB ILE A 72 6.865 -4.903 -1.382 1.00 0.00 C ATOM 958 CG1 ILE A 72 7.741 -5.547 -0.298 1.00 0.00 C ATOM 959 CG2 ILE A 72 5.447 -5.477 -1.330 1.00 0.00 C ATOM 960 CD1 ILE A 72 7.469 -7.017 -0.047 1.00 0.00 C ATOM 0 H ILE A 72 8.228 -3.173 -3.226 1.00 0.00 H new ATOM 0 HA ILE A 72 7.947 -6.068 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 72 6.793 -3.833 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.787 -5.429 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.599 -5.002 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.035 -5.338 -0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.819 -4.961 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.476 -6.541 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.136 -7.382 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.434 -7.147 0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.641 -7.581 -0.964 1.00 0.00 H new ATOM 972 N CYS A 73 5.895 -6.030 -4.237 1.00 0.00 N ATOM 973 CA CYS A 73 4.880 -6.069 -5.238 1.00 0.00 C ATOM 974 C CYS A 73 3.774 -6.927 -4.663 1.00 0.00 C ATOM 975 O CYS A 73 3.939 -8.134 -4.461 1.00 0.00 O ATOM 976 CB CYS A 73 5.457 -6.595 -6.560 1.00 0.00 C ATOM 977 SG CYS A 73 4.402 -6.351 -8.025 1.00 0.00 S ATOM 0 H CYS A 73 6.130 -6.944 -3.849 1.00 0.00 H new ATOM 0 HA CYS A 73 4.482 -5.085 -5.484 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.415 -6.107 -6.738 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.657 -7.661 -6.451 1.00 0.00 H new ATOM 982 N CYS A 74 2.701 -6.265 -4.267 1.00 0.00 N ATOM 983 CA CYS A 74 1.622 -6.930 -3.570 1.00 0.00 C ATOM 984 C CYS A 74 0.504 -7.457 -4.452 1.00 0.00 C ATOM 985 O CYS A 74 0.235 -6.948 -5.538 1.00 0.00 O ATOM 986 CB CYS A 74 1.072 -5.985 -2.510 1.00 0.00 C ATOM 987 SG CYS A 74 0.408 -6.819 -1.042 1.00 0.00 S ATOM 0 H CYS A 74 2.557 -5.267 -4.418 1.00 0.00 H new ATOM 0 HA CYS A 74 2.052 -7.826 -3.122 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.865 -5.304 -2.200 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.285 -5.376 -2.955 1.00 0.00 H new ATOM 992 N SER A 75 -0.147 -8.492 -3.923 1.00 0.00 N ATOM 993 CA SER A 75 -1.257 -9.155 -4.568 1.00 0.00 C ATOM 994 C SER A 75 -2.506 -9.038 -3.692 1.00 0.00 C ATOM 995 O SER A 75 -2.458 -8.425 -2.626 1.00 0.00 O ATOM 996 CB SER A 75 -0.918 -10.626 -4.836 1.00 0.00 C ATOM 997 OG SER A 75 0.418 -10.767 -5.288 1.00 0.00 O ATOM 0 H SER A 75 0.094 -8.893 -3.017 1.00 0.00 H new ATOM 0 HA SER A 75 -1.453 -8.674 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.060 -11.207 -3.925 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.602 -11.030 -5.582 1.00 0.00 H new ATOM 0 HG SER A 75 0.526 -10.298 -6.141 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.645 -9.606 -4.119 1.00 0.00 N ATOM 1004 CA PRO A 76 -4.893 -9.533 -3.352 1.00 0.00 C ATOM 1005 C PRO A 76 -4.862 -10.406 -2.096 1.00 0.00 C ATOM 1006 O PRO A 76 -5.752 -10.318 -1.249 1.00 0.00 O ATOM 1007 CB PRO A 76 -5.951 -10.076 -4.324 1.00 0.00 C ATOM 1008 CG PRO A 76 -5.284 -10.137 -5.658 1.00 0.00 C ATOM 1009 CD PRO A 76 -3.827 -10.338 -5.377 1.00 0.00 C ATOM 0 HA PRO A 76 -5.083 -8.518 -3.003 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.297 -11.062 -4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.825 -9.426 -4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.683 -10.955 -6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.451 -9.219 -6.221 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.575 -11.393 -5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.201 -9.938 -6.174 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.838 -11.249 -1.982 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.700 -12.139 -0.828 1.00 0.00 C ATOM 1019 C ASP A 77 -2.563 -11.694 0.096 1.00 0.00 C ATOM 1020 O ASP A 77 -2.632 -11.884 1.311 1.00 0.00 O ATOM 1021 CB ASP A 77 -3.450 -13.574 -1.296 1.00 0.00 C ATOM 1022 CG ASP A 77 -4.583 -14.512 -0.923 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -4.654 -14.917 0.257 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -5.398 -14.840 -1.810 1.00 0.00 O ATOM 0 H ASP A 77 -3.092 -11.336 -2.672 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.632 -12.094 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.317 -13.582 -2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.521 -13.939 -0.858 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.518 -11.107 -0.483 1.00 0.00 N ATOM 1030 CA GLY A 78 -0.392 -10.655 0.302 1.00 0.00 C ATOM 1031 C GLY A 78 0.723 -10.083 -0.550 1.00 0.00 C ATOM 1032 O GLY A 78 0.706 -10.216 -1.774 1.00 0.00 O ATOM 0 H GLY A 78 -1.435 -10.938 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.728 -9.897 1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.005 -11.489 0.888 1.00 0.00 H new ATOM 1036 N CYS A 79 1.690 -9.431 0.091 1.00 0.00 N ATOM 1037 CA CYS A 79 2.800 -8.843 -0.637 1.00 0.00 C ATOM 1038 C CYS A 79 4.024 -9.749 -0.662 1.00 0.00 C ATOM 1039 O CYS A 79 4.132 -10.705 0.106 1.00 0.00 O ATOM 1040 CB CYS A 79 3.195 -7.493 -0.040 1.00 0.00 C ATOM 1041 SG CYS A 79 1.800 -6.397 0.368 1.00 0.00 S ATOM 0 H CYS A 79 1.724 -9.300 1.102 1.00 0.00 H new ATOM 0 HA CYS A 79 2.452 -8.707 -1.661 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.777 -7.669 0.865 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.849 -6.978 -0.744 1.00 0.00 H new ATOM 1046 N GLU A 80 4.956 -9.405 -1.547 1.00 0.00 N ATOM 1047 CA GLU A 80 6.203 -10.130 -1.698 1.00 0.00 C ATOM 1048 C GLU A 80 7.285 -9.184 -2.216 1.00 0.00 C ATOM 1049 O GLU A 80 7.001 -8.307 -3.033 1.00 0.00 O ATOM 1050 CB GLU A 80 6.025 -11.318 -2.646 1.00 0.00 C ATOM 1051 CG GLU A 80 5.797 -10.917 -4.093 1.00 0.00 C ATOM 1052 CD GLU A 80 6.874 -11.442 -5.021 1.00 0.00 C ATOM 1053 OE1 GLU A 80 7.933 -10.789 -5.130 1.00 0.00 O ATOM 1054 OE2 GLU A 80 6.659 -12.506 -5.638 1.00 0.00 O ATOM 0 H GLU A 80 4.862 -8.611 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 80 6.508 -10.520 -0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.910 -11.952 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.180 -11.918 -2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.827 -11.290 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.761 -9.830 -4.163 1.00 0.00 H new ATOM 1061 N GLU A 81 8.521 -9.339 -1.738 1.00 0.00 N ATOM 1062 CA GLU A 81 9.595 -8.470 -2.162 1.00 0.00 C ATOM 1063 C GLU A 81 9.818 -8.589 -3.654 1.00 0.00 C ATOM 1064 O GLU A 81 10.152 -9.659 -4.156 1.00 0.00 O ATOM 1065 CB GLU A 81 10.869 -8.795 -1.394 1.00 0.00 C ATOM 1066 CG GLU A 81 11.118 -10.270 -1.208 1.00 0.00 C ATOM 1067 CD GLU A 81 11.387 -10.640 0.237 1.00 0.00 C ATOM 1068 OE1 GLU A 81 10.598 -10.228 1.115 1.00 0.00 O ATOM 1069 OE2 GLU A 81 12.390 -11.338 0.492 1.00 0.00 O ATOM 0 H GLU A 81 8.791 -10.055 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 81 9.317 -7.439 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.718 -8.358 -1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.821 -8.320 -0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.253 -10.828 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.968 -10.571 -1.820 1.00 0.00 H new ATOM 1076 N ASP A 82 9.622 -7.484 -4.360 1.00 0.00 N ATOM 1077 CA ASP A 82 9.784 -7.468 -5.790 1.00 0.00 C ATOM 1078 C ASP A 82 11.158 -6.919 -6.188 1.00 0.00 C ATOM 1079 O ASP A 82 11.434 -5.728 -6.067 1.00 0.00 O ATOM 1080 CB ASP A 82 8.655 -6.665 -6.440 1.00 0.00 C ATOM 1081 CG ASP A 82 8.571 -5.250 -5.932 1.00 0.00 C ATOM 1082 OD1 ASP A 82 9.512 -4.819 -5.247 1.00 0.00 O ATOM 1083 OD2 ASP A 82 7.571 -4.566 -6.231 1.00 0.00 O ATOM 0 H ASP A 82 9.350 -6.588 -3.955 1.00 0.00 H new ATOM 0 HA ASP A 82 9.729 -8.494 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.803 -6.649 -7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.706 -7.168 -6.256 1.00 0.00 H new ATOM 1088 N PRO A 83 12.036 -7.815 -6.665 1.00 0.00 N ATOM 1089 CA PRO A 83 13.383 -7.483 -7.105 1.00 0.00 C ATOM 1090 C PRO A 83 13.333 -6.422 -8.176 1.00 0.00 C ATOM 1091 O PRO A 83 14.334 -5.804 -8.546 1.00 0.00 O ATOM 1092 CB PRO A 83 13.911 -8.814 -7.647 1.00 0.00 C ATOM 1093 CG PRO A 83 13.119 -9.832 -6.915 1.00 0.00 C ATOM 1094 CD PRO A 83 11.758 -9.225 -6.802 1.00 0.00 C ATOM 0 HA PRO A 83 14.017 -7.076 -6.318 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.766 -8.893 -8.724 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.979 -8.927 -7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.090 -10.778 -7.455 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.546 -10.039 -5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.150 -9.432 -7.683 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.214 -9.614 -5.941 1.00 0.00 H new ATOM 1102 N ALA A 84 12.128 -6.202 -8.633 1.00 0.00 N ATOM 1103 CA ALA A 84 11.833 -5.212 -9.601 1.00 0.00 C ATOM 1104 C ALA A 84 11.818 -3.835 -8.955 1.00 0.00 C ATOM 1105 O ALA A 84 12.024 -2.817 -9.616 1.00 0.00 O ATOM 1106 CB ALA A 84 10.475 -5.535 -10.179 1.00 0.00 C ATOM 0 H ALA A 84 11.311 -6.729 -8.325 1.00 0.00 H new ATOM 0 HA ALA A 84 12.590 -5.204 -10.385 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.213 -4.791 -10.931 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.501 -6.523 -10.639 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.729 -5.525 -9.384 1.00 0.00 H new ATOM 1112 N CYS A 85 11.476 -3.812 -7.669 1.00 0.00 N ATOM 1113 CA CYS A 85 11.334 -2.562 -6.957 1.00 0.00 C ATOM 1114 C CYS A 85 12.401 -2.210 -5.887 1.00 0.00 C ATOM 1115 O CYS A 85 12.571 -1.014 -5.649 1.00 0.00 O ATOM 1116 CB CYS A 85 9.930 -2.458 -6.360 1.00 0.00 C ATOM 1117 SG CYS A 85 8.853 -1.212 -7.137 1.00 0.00 S ATOM 0 H CYS A 85 11.295 -4.645 -7.108 1.00 0.00 H new ATOM 0 HA CYS A 85 11.508 -1.813 -7.729 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.446 -3.432 -6.435 1.00 0.00 H new ATOM 0 HB3 CYS A 85 10.019 -2.228 -5.298 1.00 0.00 H new ATOM 1122 N ASP A 86 13.115 -3.153 -5.194 1.00 0.00 N ATOM 1123 CA ASP A 86 14.078 -2.634 -4.162 1.00 0.00 C ATOM 1124 C ASP A 86 14.867 -3.579 -3.204 1.00 0.00 C ATOM 1125 O ASP A 86 15.900 -3.146 -2.690 1.00 0.00 O ATOM 1126 CB ASP A 86 13.298 -1.746 -3.205 1.00 0.00 C ATOM 1127 CG ASP A 86 14.162 -0.724 -2.495 1.00 0.00 C ATOM 1128 OD1 ASP A 86 14.986 -1.129 -1.647 1.00 0.00 O ATOM 1129 OD2 ASP A 86 14.009 0.482 -2.778 1.00 0.00 O ATOM 0 H ASP A 86 13.059 -4.165 -5.307 1.00 0.00 H new ATOM 0 HA ASP A 86 14.837 -2.204 -4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.515 -1.228 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.803 -2.371 -2.462 1.00 0.00 H new ATOM 1134 N PRO A 87 14.386 -4.773 -2.807 1.00 0.00 N ATOM 1135 CA PRO A 87 15.046 -5.595 -1.786 1.00 0.00 C ATOM 1136 C PRO A 87 15.734 -6.784 -2.373 1.00 0.00 C ATOM 1137 O PRO A 87 16.958 -6.849 -2.483 1.00 0.00 O ATOM 1138 CB PRO A 87 13.843 -6.051 -0.948 1.00 0.00 C ATOM 1139 CG PRO A 87 12.641 -5.675 -1.767 1.00 0.00 C ATOM 1140 CD PRO A 87 13.147 -5.416 -3.158 1.00 0.00 C ATOM 0 HA PRO A 87 15.823 -5.059 -1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.875 -7.124 -0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.829 -5.559 0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.902 -6.476 -1.764 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.153 -4.790 -1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 87 13.291 -6.330 -3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.485 -4.774 -3.738 1.00 0.00 H new ATOM 1148 N GLU A 88 14.900 -7.689 -2.823 1.00 0.00 N ATOM 1149 CA GLU A 88 15.350 -8.864 -3.504 1.00 0.00 C ATOM 1150 C GLU A 88 15.856 -8.379 -4.860 1.00 0.00 C ATOM 1151 O GLU A 88 16.418 -9.118 -5.669 1.00 0.00 O ATOM 1152 CB GLU A 88 14.179 -9.844 -3.653 1.00 0.00 C ATOM 1153 CG GLU A 88 14.610 -11.271 -3.943 1.00 0.00 C ATOM 1154 CD GLU A 88 14.441 -12.182 -2.746 1.00 0.00 C ATOM 1155 OE1 GLU A 88 13.314 -12.674 -2.529 1.00 0.00 O ATOM 1156 OE2 GLU A 88 15.435 -12.404 -2.023 1.00 0.00 O ATOM 0 H GLU A 88 13.887 -7.625 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 88 16.138 -9.392 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.588 -9.831 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.529 -9.500 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.027 -11.661 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.655 -11.276 -4.254 1.00 0.00 H new ATOM 1163 N ALA A 89 15.615 -7.081 -5.042 1.00 0.00 N ATOM 1164 CA ALA A 89 15.963 -6.298 -6.199 1.00 0.00 C ATOM 1165 C ALA A 89 17.440 -5.941 -6.233 1.00 0.00 C ATOM 1166 O ALA A 89 18.268 -6.537 -5.545 1.00 0.00 O ATOM 1167 CB ALA A 89 15.141 -5.015 -6.110 1.00 0.00 C ATOM 0 H ALA A 89 15.140 -6.524 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 89 15.757 -6.871 -7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 89 15.365 -4.379 -6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.079 -5.262 -6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 89 15.391 -4.486 -5.190 1.00 0.00 H new ATOM 1173 N ALA A 90 17.730 -4.914 -7.015 1.00 0.00 N ATOM 1174 CA ALA A 90 19.051 -4.364 -7.145 1.00 0.00 C ATOM 1175 C ALA A 90 19.438 -3.779 -5.807 1.00 0.00 C ATOM 1176 O ALA A 90 18.647 -3.840 -4.865 1.00 0.00 O ATOM 1177 CB ALA A 90 19.037 -3.264 -8.189 1.00 0.00 C ATOM 0 H ALA A 90 17.032 -4.436 -7.585 1.00 0.00 H new ATOM 0 HA ALA A 90 19.760 -5.134 -7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 90 20.038 -2.845 -8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 90 18.718 -3.675 -9.147 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.345 -2.480 -7.882 1.00 0.00 H new ATOM 1183 N PHE A 91 20.607 -3.171 -5.710 1.00 0.00 N ATOM 1184 CA PHE A 91 20.985 -2.547 -4.455 1.00 0.00 C ATOM 1185 C PHE A 91 20.165 -1.268 -4.333 1.00 0.00 C ATOM 1186 O PHE A 91 20.697 -0.159 -4.303 1.00 0.00 O ATOM 1187 CB PHE A 91 22.482 -2.220 -4.436 1.00 0.00 C ATOM 1188 CG PHE A 91 23.370 -3.405 -4.697 1.00 0.00 C ATOM 1189 CD1 PHE A 91 23.400 -4.012 -5.943 1.00 0.00 C ATOM 1190 CD2 PHE A 91 24.177 -3.911 -3.692 1.00 0.00 C ATOM 1191 CE1 PHE A 91 24.217 -5.099 -6.181 1.00 0.00 C ATOM 1192 CE2 PHE A 91 24.997 -4.998 -3.924 1.00 0.00 C ATOM 1193 CZ PHE A 91 25.017 -5.593 -5.171 1.00 0.00 C ATOM 0 H PHE A 91 21.293 -3.096 -6.461 1.00 0.00 H new ATOM 0 HA PHE A 91 20.792 -3.220 -3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 91 22.686 -1.454 -5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 91 22.738 -1.794 -3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 91 22.776 -3.630 -6.738 1.00 0.00 H new ATOM 0 HD2 PHE A 91 24.165 -3.450 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.230 -5.562 -7.157 1.00 0.00 H new ATOM 0 HE2 PHE A 91 25.622 -5.383 -3.132 1.00 0.00 H new ATOM 0 HZ PHE A 91 25.657 -6.443 -5.355 1.00 0.00 H new ATOM 1203 N SER A 92 18.846 -1.460 -4.291 1.00 0.00 N ATOM 1204 CA SER A 92 17.886 -0.375 -4.208 1.00 0.00 C ATOM 1205 C SER A 92 17.427 -0.152 -2.770 1.00 0.00 C ATOM 1206 O SER A 92 16.873 0.930 -2.488 1.00 0.00 O ATOM 1207 CB SER A 92 16.689 -0.687 -5.124 1.00 0.00 C ATOM 1208 OG SER A 92 15.522 -0.010 -4.691 1.00 0.00 O ATOM 1209 OXT SER A 92 17.626 -1.063 -1.938 1.00 0.00 O ATOM 0 H SER A 92 18.417 -2.385 -4.314 1.00 0.00 H new ATOM 0 HA SER A 92 18.364 0.547 -4.540 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.924 -0.393 -6.147 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.506 -1.762 -5.135 1.00 0.00 H new ATOM 0 HG SER A 92 14.823 -0.094 -5.373 1.00 0.00 H new TER 1215 SER A 92