USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.81 USER MOD Single : A 17 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.6!) USER MOD Single : A 18 HIS : no HD1:sc= -53.6! C(o=-54!,f=-53!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -166:sc= -0.0136 (180deg=-0.432) USER MOD Single : A 50 SER OG : rot -66:sc= 0.911 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.34) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.101) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -25.494 2.667 -0.986 1.00 0.00 N ATOM 2 CA ALA A 2 -25.552 3.860 -1.871 1.00 0.00 C ATOM 3 C ALA A 2 -24.554 3.741 -3.018 1.00 0.00 C ATOM 4 O ALA A 2 -23.426 3.288 -2.828 1.00 0.00 O ATOM 5 CB ALA A 2 -25.283 5.124 -1.068 1.00 0.00 C ATOM 0 HA ALA A 2 -26.553 3.917 -2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -25.328 5.991 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -26.034 5.224 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -24.293 5.064 -0.615 1.00 0.00 H new ATOM 10 N SER A 3 -24.979 4.149 -4.208 1.00 0.00 N ATOM 11 CA SER A 3 -24.123 4.088 -5.389 1.00 0.00 C ATOM 12 C SER A 3 -22.993 5.112 -5.302 1.00 0.00 C ATOM 13 O SER A 3 -21.958 4.961 -5.952 1.00 0.00 O ATOM 14 CB SER A 3 -24.948 4.329 -6.655 1.00 0.00 C ATOM 15 OG SER A 3 -25.893 3.292 -6.854 1.00 0.00 O ATOM 0 H SER A 3 -25.911 4.526 -4.382 1.00 0.00 H new ATOM 0 HA SER A 3 -23.681 3.092 -5.433 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.464 5.286 -6.579 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.285 4.392 -7.518 1.00 0.00 H new ATOM 0 HG SER A 3 -26.408 3.471 -7.668 1.00 0.00 H new ATOM 21 N THR A 4 -23.198 6.153 -4.499 1.00 0.00 N ATOM 22 CA THR A 4 -22.195 7.200 -4.331 1.00 0.00 C ATOM 23 C THR A 4 -20.849 6.612 -3.916 1.00 0.00 C ATOM 24 O THR A 4 -19.796 7.170 -4.227 1.00 0.00 O ATOM 25 CB THR A 4 -22.661 8.216 -3.285 1.00 0.00 C ATOM 26 OG1 THR A 4 -22.563 7.675 -1.981 1.00 0.00 O ATOM 27 CG2 THR A 4 -24.090 8.669 -3.488 1.00 0.00 C ATOM 0 H THR A 4 -24.049 6.294 -3.955 1.00 0.00 H new ATOM 0 HA THR A 4 -22.070 7.701 -5.291 1.00 0.00 H new ATOM 0 HB THR A 4 -22.003 9.077 -3.405 1.00 0.00 H new ATOM 0 HG1 THR A 4 -22.864 8.340 -1.327 1.00 0.00 H new ATOM 0 HG21 THR A 4 -24.357 9.388 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 4 -24.188 9.138 -4.467 1.00 0.00 H new ATOM 0 HG23 THR A 4 -24.756 7.808 -3.430 1.00 0.00 H new ATOM 35 N SER A 5 -20.889 5.484 -3.215 1.00 0.00 N ATOM 36 CA SER A 5 -19.669 4.823 -2.759 1.00 0.00 C ATOM 37 C SER A 5 -19.200 3.785 -3.772 1.00 0.00 C ATOM 38 O SER A 5 -19.592 2.619 -3.709 1.00 0.00 O ATOM 39 CB SER A 5 -19.903 4.160 -1.401 1.00 0.00 C ATOM 40 OG SER A 5 -18.678 3.929 -0.729 1.00 0.00 O ATOM 0 H SER A 5 -21.751 5.008 -2.950 1.00 0.00 H new ATOM 0 HA SER A 5 -18.891 5.580 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.543 4.795 -0.788 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.429 3.216 -1.540 1.00 0.00 H new ATOM 0 HG SER A 5 -18.855 3.506 0.137 1.00 0.00 H new ATOM 46 N ARG A 6 -18.355 4.213 -4.705 1.00 0.00 N ATOM 47 CA ARG A 6 -17.828 3.320 -5.729 1.00 0.00 C ATOM 48 C ARG A 6 -16.854 2.314 -5.122 1.00 0.00 C ATOM 49 O ARG A 6 -17.194 1.148 -4.922 1.00 0.00 O ATOM 50 CB ARG A 6 -17.131 4.122 -6.829 1.00 0.00 C ATOM 51 CG ARG A 6 -18.088 4.912 -7.707 1.00 0.00 C ATOM 52 CD ARG A 6 -17.348 5.671 -8.799 1.00 0.00 C ATOM 53 NE ARG A 6 -17.881 5.380 -10.128 1.00 0.00 N ATOM 54 CZ ARG A 6 -18.971 5.955 -10.634 1.00 0.00 C ATOM 55 NH1 ARG A 6 -19.648 6.849 -9.924 1.00 0.00 N ATOM 56 NH2 ARG A 6 -19.384 5.633 -11.852 1.00 0.00 N ATOM 0 H ARG A 6 -18.021 5.174 -4.772 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.665 2.774 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.420 4.810 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -16.556 3.440 -7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.811 4.234 -8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -18.651 5.614 -7.092 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.418 6.742 -8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.290 5.410 -8.768 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.389 4.696 -10.703 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -19.334 7.099 -8.986 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -20.482 7.286 -10.316 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.867 4.946 -12.401 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.218 6.073 -12.240 1.00 0.00 H new ATOM 70 N LEU A 7 -15.644 2.776 -4.828 1.00 0.00 N ATOM 71 CA LEU A 7 -14.619 1.921 -4.239 1.00 0.00 C ATOM 72 C LEU A 7 -14.338 2.331 -2.798 1.00 0.00 C ATOM 73 O LEU A 7 -13.583 3.270 -2.545 1.00 0.00 O ATOM 74 CB LEU A 7 -13.328 1.986 -5.063 1.00 0.00 C ATOM 75 CG LEU A 7 -13.524 2.192 -6.566 1.00 0.00 C ATOM 76 CD1 LEU A 7 -12.182 2.338 -7.266 1.00 0.00 C ATOM 77 CD2 LEU A 7 -14.316 1.037 -7.164 1.00 0.00 C ATOM 0 H LEU A 7 -15.348 3.739 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.989 0.896 -4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.711 2.798 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -12.771 1.062 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.090 3.112 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.343 2.484 -8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.651 3.198 -6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.589 1.437 -7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -14.446 1.200 -8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.777 0.104 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -15.293 0.979 -6.685 1.00 0.00 H new ATOM 89 N ASP A 8 -14.955 1.626 -1.857 1.00 0.00 N ATOM 90 CA ASP A 8 -14.777 1.921 -0.439 1.00 0.00 C ATOM 91 C ASP A 8 -13.605 1.136 0.145 1.00 0.00 C ATOM 92 O ASP A 8 -13.751 0.439 1.149 1.00 0.00 O ATOM 93 CB ASP A 8 -16.058 1.597 0.332 1.00 0.00 C ATOM 94 CG ASP A 8 -16.508 0.165 0.127 1.00 0.00 C ATOM 95 OD1 ASP A 8 -16.604 -0.268 -1.041 1.00 0.00 O ATOM 96 OD2 ASP A 8 -16.767 -0.527 1.136 1.00 0.00 O ATOM 0 H ASP A 8 -15.583 0.846 -2.050 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.557 2.984 -0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.894 1.775 1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.851 2.273 0.014 1.00 0.00 H new ATOM 101 N ALA A 9 -12.441 1.253 -0.489 1.00 0.00 N ATOM 102 CA ALA A 9 -11.247 0.553 -0.027 1.00 0.00 C ATOM 103 C ALA A 9 -10.048 0.847 -0.921 1.00 0.00 C ATOM 104 O ALA A 9 -10.194 1.369 -2.026 1.00 0.00 O ATOM 105 CB ALA A 9 -11.502 -0.946 0.035 1.00 0.00 C ATOM 0 H ALA A 9 -12.300 1.825 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.016 0.916 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.602 -1.454 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.321 -1.147 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.766 -1.312 -0.957 1.00 0.00 H new ATOM 111 N LEU A 10 -8.861 0.500 -0.434 1.00 0.00 N ATOM 112 CA LEU A 10 -7.626 0.714 -1.185 1.00 0.00 C ATOM 113 C LEU A 10 -7.441 -0.396 -2.220 1.00 0.00 C ATOM 114 O LEU A 10 -8.150 -1.402 -2.182 1.00 0.00 O ATOM 115 CB LEU A 10 -6.422 0.758 -0.232 1.00 0.00 C ATOM 116 CG LEU A 10 -6.742 1.142 1.215 1.00 0.00 C ATOM 117 CD1 LEU A 10 -6.812 -0.096 2.095 1.00 0.00 C ATOM 118 CD2 LEU A 10 -5.704 2.120 1.751 1.00 0.00 C ATOM 0 H LEU A 10 -8.727 0.068 0.480 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.694 1.670 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.944 -0.222 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.695 1.468 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.716 1.630 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.040 0.198 3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.593 -0.761 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.853 -0.614 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.948 2.381 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.717 1.658 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.703 3.021 1.138 1.00 0.00 H new ATOM 130 N PRO A 11 -6.491 -0.237 -3.163 1.00 0.00 N ATOM 131 CA PRO A 11 -6.227 -1.233 -4.203 1.00 0.00 C ATOM 132 C PRO A 11 -6.309 -2.664 -3.675 1.00 0.00 C ATOM 133 O PRO A 11 -6.715 -3.577 -4.393 1.00 0.00 O ATOM 134 CB PRO A 11 -4.797 -0.908 -4.670 1.00 0.00 C ATOM 135 CG PRO A 11 -4.354 0.284 -3.873 1.00 0.00 C ATOM 136 CD PRO A 11 -5.596 0.913 -3.309 1.00 0.00 C ATOM 0 HA PRO A 11 -6.966 -1.185 -5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.132 -1.755 -4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.777 -0.691 -5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.675 -0.015 -3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.814 0.991 -4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.406 1.404 -2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.009 1.667 -3.978 1.00 0.00 H new ATOM 144 N ARG A 12 -5.930 -2.847 -2.413 1.00 0.00 N ATOM 145 CA ARG A 12 -5.967 -4.164 -1.782 1.00 0.00 C ATOM 146 C ARG A 12 -5.423 -4.100 -0.358 1.00 0.00 C ATOM 147 O ARG A 12 -4.379 -3.499 -0.107 1.00 0.00 O ATOM 148 CB ARG A 12 -5.166 -5.181 -2.601 1.00 0.00 C ATOM 149 CG ARG A 12 -5.810 -6.559 -2.663 1.00 0.00 C ATOM 150 CD ARG A 12 -7.249 -6.486 -3.155 1.00 0.00 C ATOM 151 NE ARG A 12 -7.537 -7.498 -4.167 1.00 0.00 N ATOM 152 CZ ARG A 12 -7.890 -8.752 -3.886 1.00 0.00 C ATOM 153 NH1 ARG A 12 -7.991 -9.156 -2.626 1.00 0.00 N ATOM 154 NH2 ARG A 12 -8.142 -9.605 -4.870 1.00 0.00 N ATOM 0 H ARG A 12 -5.593 -2.099 -1.806 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.008 -4.486 -1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.043 -4.801 -3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.168 -5.275 -2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.231 -7.202 -3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.786 -7.017 -1.674 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.927 -6.615 -2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.440 -5.496 -3.569 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.464 -7.229 -5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.798 -8.505 -1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.262 -10.117 -2.419 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.066 -9.301 -5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.412 -10.565 -4.656 1.00 0.00 H new ATOM 168 N VAL A 13 -6.140 -4.725 0.572 1.00 0.00 N ATOM 169 CA VAL A 13 -5.730 -4.743 1.972 1.00 0.00 C ATOM 170 C VAL A 13 -5.147 -6.100 2.368 1.00 0.00 C ATOM 171 O VAL A 13 -4.597 -6.252 3.459 1.00 0.00 O ATOM 172 CB VAL A 13 -6.908 -4.407 2.906 1.00 0.00 C ATOM 173 CG1 VAL A 13 -8.007 -5.452 2.787 1.00 0.00 C ATOM 174 CG2 VAL A 13 -6.430 -4.284 4.345 1.00 0.00 C ATOM 0 H VAL A 13 -7.008 -5.226 0.381 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.959 -3.981 2.081 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.323 -3.446 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.828 -5.194 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.371 -5.482 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.610 -6.430 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.276 -4.046 4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.985 -5.227 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.686 -3.490 4.415 1.00 0.00 H new ATOM 184 N THR A 14 -5.268 -7.084 1.477 1.00 0.00 N ATOM 185 CA THR A 14 -4.748 -8.420 1.743 1.00 0.00 C ATOM 186 C THR A 14 -4.536 -9.185 0.441 1.00 0.00 C ATOM 187 O THR A 14 -5.172 -8.903 -0.574 1.00 0.00 O ATOM 188 CB THR A 14 -5.699 -9.192 2.661 1.00 0.00 C ATOM 189 OG1 THR A 14 -6.974 -8.576 2.696 1.00 0.00 O ATOM 190 CG2 THR A 14 -5.201 -9.295 4.086 1.00 0.00 C ATOM 0 H THR A 14 -5.720 -6.979 0.569 1.00 0.00 H new ATOM 0 HA THR A 14 -3.785 -8.317 2.244 1.00 0.00 H new ATOM 0 HB THR A 14 -5.757 -10.195 2.239 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.567 -9.085 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.921 -9.854 4.684 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.241 -9.811 4.099 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.082 -8.295 4.503 1.00 0.00 H new ATOM 198 N CYS A 15 -3.606 -10.126 0.478 1.00 0.00 N ATOM 199 CA CYS A 15 -3.247 -10.923 -0.686 1.00 0.00 C ATOM 200 C CYS A 15 -4.378 -11.808 -1.199 1.00 0.00 C ATOM 201 O CYS A 15 -5.175 -12.331 -0.421 1.00 0.00 O ATOM 202 CB CYS A 15 -2.054 -11.789 -0.339 1.00 0.00 C ATOM 203 SG CYS A 15 -0.725 -11.702 -1.551 1.00 0.00 S ATOM 0 H CYS A 15 -3.077 -10.360 1.318 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.015 -10.222 -1.488 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.667 -11.487 0.634 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.382 -12.824 -0.245 1.00 0.00 H new ATOM 208 N PRO A 16 -4.425 -12.019 -2.532 1.00 0.00 N ATOM 209 CA PRO A 16 -5.420 -12.882 -3.163 1.00 0.00 C ATOM 210 C PRO A 16 -5.034 -14.346 -3.004 1.00 0.00 C ATOM 211 O PRO A 16 -5.865 -15.242 -3.159 1.00 0.00 O ATOM 212 CB PRO A 16 -5.351 -12.468 -4.625 1.00 0.00 C ATOM 213 CG PRO A 16 -3.923 -12.113 -4.817 1.00 0.00 C ATOM 214 CD PRO A 16 -3.482 -11.470 -3.529 1.00 0.00 C ATOM 0 HA PRO A 16 -6.416 -12.782 -2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.656 -13.279 -5.287 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.006 -11.623 -4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.326 -12.998 -5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.800 -11.430 -5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.450 -11.722 -3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.541 -10.383 -3.582 1.00 0.00 H new ATOM 222 N ASN A 17 -3.772 -14.574 -2.634 1.00 0.00 N ATOM 223 CA ASN A 17 -3.247 -15.904 -2.373 1.00 0.00 C ATOM 224 C ASN A 17 -2.729 -15.887 -0.938 1.00 0.00 C ATOM 225 O ASN A 17 -1.864 -16.631 -0.538 1.00 0.00 O ATOM 226 CB ASN A 17 -2.121 -16.251 -3.347 1.00 0.00 C ATOM 227 CG ASN A 17 -2.627 -16.969 -4.582 1.00 0.00 C ATOM 228 OD1 ASN A 17 -3.802 -17.326 -4.669 1.00 0.00 O ATOM 229 ND2 ASN A 17 -1.740 -17.185 -5.545 1.00 0.00 N ATOM 0 H ASN A 17 -3.085 -13.831 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.020 -16.660 -2.507 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.608 -15.337 -3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.387 -16.878 -2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.022 -17.664 -6.400 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.776 -16.872 -5.430 1.00 0.00 H new ATOM 236 N HIS A 18 -3.446 -15.161 -0.138 1.00 0.00 N ATOM 237 CA HIS A 18 -3.247 -15.111 1.290 1.00 0.00 C ATOM 238 C HIS A 18 -4.126 -14.052 1.867 1.00 0.00 C ATOM 239 O HIS A 18 -3.699 -12.992 2.336 1.00 0.00 O ATOM 240 CB HIS A 18 -1.833 -15.027 1.884 1.00 0.00 C ATOM 241 CG HIS A 18 -0.729 -14.452 1.115 1.00 0.00 C ATOM 242 ND1 HIS A 18 -0.554 -14.618 -0.205 1.00 0.00 N ATOM 243 CD2 HIS A 18 0.245 -13.660 1.593 1.00 0.00 C ATOM 244 CE1 HIS A 18 0.511 -13.918 -0.514 1.00 0.00 C ATOM 245 NE2 HIS A 18 1.033 -13.320 0.555 1.00 0.00 N ATOM 0 H HIS A 18 -4.209 -14.567 -0.463 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.516 -16.124 1.590 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.908 -14.458 2.810 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.539 -16.041 2.156 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.373 -13.353 2.620 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.915 -13.837 -1.512 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.861 -12.725 0.582 1.00 0.00 H new ATOM 253 N PRO A 19 -5.407 -14.424 1.888 1.00 0.00 N ATOM 254 CA PRO A 19 -6.504 -13.643 2.459 1.00 0.00 C ATOM 255 C PRO A 19 -6.389 -13.655 3.975 1.00 0.00 C ATOM 256 O PRO A 19 -7.376 -13.758 4.705 1.00 0.00 O ATOM 257 CB PRO A 19 -7.732 -14.425 2.013 1.00 0.00 C ATOM 258 CG PRO A 19 -7.236 -15.827 1.905 1.00 0.00 C ATOM 259 CD PRO A 19 -5.865 -15.728 1.382 1.00 0.00 C ATOM 0 HA PRO A 19 -6.523 -12.598 2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.544 -14.342 2.735 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.115 -14.061 1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.249 -16.322 2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.867 -16.415 1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.237 -16.543 1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.845 -15.767 0.293 1.00 0.00 H new ATOM 267 N ASP A 20 -5.150 -13.549 4.413 1.00 0.00 N ATOM 268 CA ASP A 20 -4.790 -13.541 5.808 1.00 0.00 C ATOM 269 C ASP A 20 -3.589 -12.626 5.976 1.00 0.00 C ATOM 270 O ASP A 20 -3.547 -11.780 6.868 1.00 0.00 O ATOM 271 CB ASP A 20 -4.458 -14.952 6.295 1.00 0.00 C ATOM 272 CG ASP A 20 -5.649 -15.636 6.936 1.00 0.00 C ATOM 273 OD1 ASP A 20 -6.796 -15.277 6.594 1.00 0.00 O ATOM 274 OD2 ASP A 20 -5.435 -16.531 7.780 1.00 0.00 O ATOM 0 H ASP A 20 -4.348 -13.464 3.788 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.628 -13.180 6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.107 -15.551 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.640 -14.902 7.014 1.00 0.00 H new ATOM 279 N ALA A 21 -2.636 -12.779 5.060 1.00 0.00 N ATOM 280 CA ALA A 21 -1.447 -11.945 5.038 1.00 0.00 C ATOM 281 C ALA A 21 -1.784 -10.637 4.417 1.00 0.00 C ATOM 282 O ALA A 21 -2.536 -10.565 3.442 1.00 0.00 O ATOM 283 CB ALA A 21 -0.327 -12.600 4.268 1.00 0.00 C ATOM 0 H ALA A 21 -2.669 -13.480 4.320 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.107 -11.801 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.547 -11.948 4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.072 -13.551 4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.645 -12.774 3.240 1.00 0.00 H new ATOM 289 N ILE A 22 -1.289 -9.607 5.045 1.00 0.00 N ATOM 290 CA ILE A 22 -1.597 -8.283 4.629 1.00 0.00 C ATOM 291 C ILE A 22 -0.461 -7.539 3.929 1.00 0.00 C ATOM 292 O ILE A 22 -0.191 -6.389 4.254 1.00 0.00 O ATOM 293 CB ILE A 22 -2.076 -7.494 5.848 1.00 0.00 C ATOM 294 CG1 ILE A 22 -0.936 -7.306 6.854 1.00 0.00 C ATOM 295 CG2 ILE A 22 -3.262 -8.190 6.503 1.00 0.00 C ATOM 296 CD1 ILE A 22 -1.348 -6.551 8.100 1.00 0.00 C ATOM 0 H ILE A 22 -0.667 -9.668 5.851 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.374 -8.369 3.870 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.399 -6.509 5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.551 -8.284 7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.119 -6.772 6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.589 -7.614 7.369 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.080 -8.266 5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.966 -9.189 6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.491 -6.455 8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.705 -5.559 7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.145 -7.095 8.608 1.00 0.00 H new ATOM 308 N LEU A 23 0.177 -8.175 2.945 1.00 0.00 N ATOM 309 CA LEU A 23 1.240 -7.505 2.196 1.00 0.00 C ATOM 310 C LEU A 23 1.745 -6.320 2.993 1.00 0.00 C ATOM 311 O LEU A 23 1.392 -5.183 2.709 1.00 0.00 O ATOM 312 CB LEU A 23 0.697 -6.980 0.860 1.00 0.00 C ATOM 313 CG LEU A 23 0.865 -7.883 -0.359 1.00 0.00 C ATOM 314 CD1 LEU A 23 -0.463 -8.499 -0.758 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.454 -7.101 -1.514 1.00 0.00 C ATOM 0 H LEU A 23 -0.018 -9.133 2.653 1.00 0.00 H new ATOM 0 HA LEU A 23 2.042 -8.221 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.366 -6.773 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.184 -6.029 0.647 1.00 0.00 H new ATOM 0 HG LEU A 23 1.550 -8.690 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.320 -9.139 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.852 -9.093 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.172 -7.708 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.568 -7.757 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.790 -6.276 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.428 -6.706 -1.227 1.00 0.00 H new ATOM 327 N VAL A 24 2.524 -6.565 4.017 1.00 0.00 N ATOM 328 CA VAL A 24 2.986 -5.464 4.838 1.00 0.00 C ATOM 329 C VAL A 24 3.655 -4.427 4.011 1.00 0.00 C ATOM 330 O VAL A 24 4.431 -4.712 3.104 1.00 0.00 O ATOM 331 CB VAL A 24 3.892 -5.895 5.959 1.00 0.00 C ATOM 332 CG1 VAL A 24 3.944 -4.828 7.038 1.00 0.00 C ATOM 333 CG2 VAL A 24 3.373 -7.214 6.483 1.00 0.00 C ATOM 0 H VAL A 24 2.847 -7.490 4.301 1.00 0.00 H new ATOM 0 HA VAL A 24 2.093 -5.040 5.298 1.00 0.00 H new ATOM 0 HB VAL A 24 4.916 -6.026 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.604 -5.155 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.323 -3.899 6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.942 -4.663 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.009 -7.557 7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.353 -7.085 6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.382 -7.953 5.682 1.00 0.00 H new ATOM 343 N GLU A 25 3.293 -3.226 4.312 1.00 0.00 N ATOM 344 CA GLU A 25 3.773 -2.108 3.584 1.00 0.00 C ATOM 345 C GLU A 25 5.105 -1.657 4.032 1.00 0.00 C ATOM 346 O GLU A 25 5.208 -0.975 5.039 1.00 0.00 O ATOM 347 CB GLU A 25 2.786 -0.939 3.684 1.00 0.00 C ATOM 348 CG GLU A 25 1.330 -1.361 3.820 1.00 0.00 C ATOM 349 CD GLU A 25 0.373 -0.354 3.217 1.00 0.00 C ATOM 350 OE1 GLU A 25 0.837 0.545 2.485 1.00 0.00 O ATOM 351 OE2 GLU A 25 -0.843 -0.466 3.476 1.00 0.00 O ATOM 0 H GLU A 25 2.654 -2.994 5.073 1.00 0.00 H new ATOM 0 HA GLU A 25 3.867 -2.436 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.056 -0.323 4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.890 -0.314 2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.189 -2.327 3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.092 -1.496 4.875 1.00 0.00 H new ATOM 358 N ASP A 26 6.117 -2.029 3.265 1.00 0.00 N ATOM 359 CA ASP A 26 7.470 -1.631 3.507 1.00 0.00 C ATOM 360 C ASP A 26 8.426 -2.792 3.417 1.00 0.00 C ATOM 361 O ASP A 26 8.941 -3.235 4.426 1.00 0.00 O ATOM 362 CB ASP A 26 7.640 -0.894 4.816 1.00 0.00 C ATOM 363 CG ASP A 26 7.397 0.600 4.686 1.00 0.00 C ATOM 364 OD1 ASP A 26 6.284 0.992 4.275 1.00 0.00 O ATOM 365 OD2 ASP A 26 8.323 1.379 4.995 1.00 0.00 O ATOM 0 H ASP A 26 6.006 -2.626 2.446 1.00 0.00 H new ATOM 0 HA ASP A 26 7.718 -0.929 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.951 -1.307 5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.648 -1.062 5.194 1.00 0.00 H new ATOM 370 N TYR A 27 8.614 -3.301 2.201 1.00 0.00 N ATOM 371 CA TYR A 27 9.502 -4.435 1.959 1.00 0.00 C ATOM 372 C TYR A 27 10.916 -3.965 1.673 1.00 0.00 C ATOM 373 O TYR A 27 11.885 -4.502 2.206 1.00 0.00 O ATOM 374 CB TYR A 27 8.997 -5.267 0.783 1.00 0.00 C ATOM 375 CG TYR A 27 9.544 -4.870 -0.574 1.00 0.00 C ATOM 376 CD1 TYR A 27 9.025 -3.779 -1.259 1.00 0.00 C ATOM 377 CD2 TYR A 27 10.567 -5.595 -1.171 1.00 0.00 C ATOM 378 CE1 TYR A 27 9.511 -3.419 -2.500 1.00 0.00 C ATOM 379 CE2 TYR A 27 11.058 -5.242 -2.415 1.00 0.00 C ATOM 380 CZ TYR A 27 10.527 -4.153 -3.074 1.00 0.00 C ATOM 381 OH TYR A 27 11.011 -3.799 -4.313 1.00 0.00 O ATOM 0 H TYR A 27 8.159 -2.942 1.362 1.00 0.00 H new ATOM 0 HA TYR A 27 9.510 -5.049 2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.246 -6.312 0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.910 -5.199 0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.228 -3.203 -0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.985 -6.447 -0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.097 -2.567 -3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.853 -5.816 -2.868 1.00 0.00 H new ATOM 0 HH TYR A 27 11.725 -4.417 -4.574 1.00 0.00 H new ATOM 391 N ARG A 28 11.024 -2.956 0.821 1.00 0.00 N ATOM 392 CA ARG A 28 12.310 -2.392 0.436 1.00 0.00 C ATOM 393 C ARG A 28 12.104 -0.955 -0.012 1.00 0.00 C ATOM 394 O ARG A 28 12.645 -0.022 0.582 1.00 0.00 O ATOM 395 CB ARG A 28 12.933 -3.219 -0.690 1.00 0.00 C ATOM 396 CG ARG A 28 14.245 -2.660 -1.215 1.00 0.00 C ATOM 397 CD ARG A 28 14.557 -3.200 -2.602 1.00 0.00 C ATOM 398 NE ARG A 28 15.923 -2.894 -3.016 1.00 0.00 N ATOM 399 CZ ARG A 28 16.368 -3.043 -4.263 1.00 0.00 C ATOM 400 NH1 ARG A 28 15.558 -3.492 -5.214 1.00 0.00 N ATOM 401 NH2 ARG A 28 17.624 -2.743 -4.558 1.00 0.00 N ATOM 0 H ARG A 28 10.224 -2.505 0.377 1.00 0.00 H new ATOM 0 HA ARG A 28 12.990 -2.412 1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.100 -4.235 -0.331 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.223 -3.285 -1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.192 -1.572 -1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.053 -2.919 -0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.409 -4.280 -2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.857 -2.776 -3.322 1.00 0.00 H new ATOM 0 HE ARG A 28 16.573 -2.547 -2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.590 -3.725 -4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.903 -3.604 -6.167 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.250 -2.398 -3.831 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.965 -2.857 -5.513 1.00 0.00 H new ATOM 415 N ALA A 29 11.278 -0.786 -1.036 1.00 0.00 N ATOM 416 CA ALA A 29 10.950 0.538 -1.537 1.00 0.00 C ATOM 417 C ALA A 29 10.024 1.227 -0.544 1.00 0.00 C ATOM 418 O ALA A 29 10.041 2.449 -0.397 1.00 0.00 O ATOM 419 CB ALA A 29 10.297 0.445 -2.909 1.00 0.00 C ATOM 0 H ALA A 29 10.824 -1.551 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 29 11.863 1.123 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.059 1.447 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.983 -0.036 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.381 -0.142 -2.837 1.00 0.00 H new ATOM 425 N GLY A 30 9.228 0.415 0.152 1.00 0.00 N ATOM 426 CA GLY A 30 8.313 0.929 1.149 1.00 0.00 C ATOM 427 C GLY A 30 6.892 0.431 0.961 1.00 0.00 C ATOM 428 O GLY A 30 6.142 0.312 1.929 1.00 0.00 O ATOM 0 H GLY A 30 9.205 -0.598 0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.665 0.642 2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.318 2.018 1.112 1.00 0.00 H new ATOM 432 N ASP A 31 6.513 0.162 -0.285 1.00 0.00 N ATOM 433 CA ASP A 31 5.167 -0.309 -0.604 1.00 0.00 C ATOM 434 C ASP A 31 4.754 -1.520 0.247 1.00 0.00 C ATOM 435 O ASP A 31 5.257 -1.722 1.323 1.00 0.00 O ATOM 436 CB ASP A 31 5.087 -0.635 -2.097 1.00 0.00 C ATOM 437 CG ASP A 31 5.584 0.504 -2.965 1.00 0.00 C ATOM 438 OD1 ASP A 31 5.309 1.674 -2.624 1.00 0.00 O ATOM 439 OD2 ASP A 31 6.250 0.226 -3.985 1.00 0.00 O ATOM 0 H ASP A 31 7.123 0.263 -1.096 1.00 0.00 H new ATOM 0 HA ASP A 31 4.463 0.488 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.676 -1.529 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.055 -0.866 -2.361 1.00 0.00 H new ATOM 444 N MET A 32 3.783 -2.294 -0.275 1.00 0.00 N ATOM 445 CA MET A 32 3.223 -3.475 0.404 1.00 0.00 C ATOM 446 C MET A 32 3.833 -4.790 -0.098 1.00 0.00 C ATOM 447 O MET A 32 3.887 -5.038 -1.286 1.00 0.00 O ATOM 448 CB MET A 32 1.715 -3.481 0.177 1.00 0.00 C ATOM 449 CG MET A 32 1.032 -2.194 0.603 1.00 0.00 C ATOM 450 SD MET A 32 -0.686 -2.448 1.091 1.00 0.00 S ATOM 451 CE MET A 32 -1.543 -1.849 -0.363 1.00 0.00 C ATOM 0 H MET A 32 3.363 -2.114 -1.187 1.00 0.00 H new ATOM 0 HA MET A 32 3.462 -3.408 1.465 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.516 -3.656 -0.880 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.277 -4.314 0.726 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.581 -1.754 1.436 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.070 -1.478 -0.218 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.598 -1.706 -0.130 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.108 -0.900 -0.676 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.445 -2.576 -1.169 1.00 0.00 H new ATOM 461 N ILE A 33 4.331 -5.599 0.833 1.00 0.00 N ATOM 462 CA ILE A 33 5.001 -6.870 0.523 1.00 0.00 C ATOM 463 C ILE A 33 4.326 -8.093 1.134 1.00 0.00 C ATOM 464 O ILE A 33 4.356 -8.288 2.344 1.00 0.00 O ATOM 465 CB ILE A 33 6.440 -6.780 1.062 1.00 0.00 C ATOM 466 CG1 ILE A 33 7.399 -7.692 0.297 1.00 0.00 C ATOM 467 CG2 ILE A 33 6.494 -7.082 2.547 1.00 0.00 C ATOM 468 CD1 ILE A 33 6.858 -9.072 0.050 1.00 0.00 C ATOM 0 H ILE A 33 4.284 -5.395 1.831 1.00 0.00 H new ATOM 0 HA ILE A 33 4.960 -7.006 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 33 6.767 -5.752 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.639 -7.230 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.332 -7.772 0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.524 -7.010 2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.877 -6.364 3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.120 -8.090 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.595 -9.659 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.645 -9.555 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.941 -9.004 -0.536 1.00 0.00 H new ATOM 480 N CYS A 34 3.652 -8.895 0.321 1.00 0.00 N ATOM 481 CA CYS A 34 2.961 -10.086 0.798 1.00 0.00 C ATOM 482 C CYS A 34 3.908 -11.043 1.503 1.00 0.00 C ATOM 483 O CYS A 34 4.658 -11.754 0.859 1.00 0.00 O ATOM 484 CB CYS A 34 2.377 -10.773 -0.418 1.00 0.00 C ATOM 485 SG CYS A 34 0.696 -11.370 -0.204 1.00 0.00 S ATOM 0 H CYS A 34 3.569 -8.740 -0.684 1.00 0.00 H new ATOM 0 HA CYS A 34 2.194 -9.799 1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.398 -10.077 -1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.016 -11.614 -0.686 1.00 0.00 H new ATOM 490 N PRO A 35 3.871 -11.127 2.828 1.00 0.00 N ATOM 491 CA PRO A 35 4.755 -12.037 3.550 1.00 0.00 C ATOM 492 C PRO A 35 4.612 -13.502 3.116 1.00 0.00 C ATOM 493 O PRO A 35 5.356 -14.355 3.586 1.00 0.00 O ATOM 494 CB PRO A 35 4.359 -11.857 5.022 1.00 0.00 C ATOM 495 CG PRO A 35 3.048 -11.143 5.015 1.00 0.00 C ATOM 496 CD PRO A 35 2.958 -10.388 3.717 1.00 0.00 C ATOM 0 HA PRO A 35 5.801 -11.803 3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.275 -12.821 5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.113 -11.282 5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.224 -11.851 5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.977 -10.461 5.862 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.940 -10.377 3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.265 -9.349 3.834 1.00 0.00 H new ATOM 504 N GLU A 36 3.689 -13.795 2.195 1.00 0.00 N ATOM 505 CA GLU A 36 3.510 -15.175 1.732 1.00 0.00 C ATOM 506 C GLU A 36 3.901 -15.405 0.280 1.00 0.00 C ATOM 507 O GLU A 36 4.623 -16.340 0.006 1.00 0.00 O ATOM 508 CB GLU A 36 2.097 -15.660 1.966 1.00 0.00 C ATOM 509 CG GLU A 36 1.630 -15.520 3.406 1.00 0.00 C ATOM 510 CD GLU A 36 2.470 -16.334 4.371 1.00 0.00 C ATOM 511 OE1 GLU A 36 2.708 -17.528 4.090 1.00 0.00 O ATOM 512 OE2 GLU A 36 2.891 -15.777 5.407 1.00 0.00 O ATOM 0 H GLU A 36 3.066 -13.112 1.763 1.00 0.00 H new ATOM 0 HA GLU A 36 4.203 -15.760 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.420 -15.103 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.029 -16.707 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.665 -14.470 3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.589 -15.836 3.479 1.00 0.00 H new ATOM 519 N CYS A 37 3.627 -14.492 -0.632 1.00 0.00 N ATOM 520 CA CYS A 37 4.168 -14.662 -1.979 1.00 0.00 C ATOM 521 C CYS A 37 5.147 -13.534 -2.184 1.00 0.00 C ATOM 522 O CYS A 37 5.738 -13.352 -3.241 1.00 0.00 O ATOM 523 CB CYS A 37 3.113 -14.708 -3.083 1.00 0.00 C ATOM 524 SG CYS A 37 1.964 -13.318 -3.109 1.00 0.00 S ATOM 0 H CYS A 37 3.059 -13.658 -0.483 1.00 0.00 H new ATOM 0 HA CYS A 37 4.649 -15.637 -2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.621 -14.757 -4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.540 -15.630 -2.978 1.00 0.00 H new ATOM 529 N GLY A 38 5.277 -12.789 -1.095 1.00 0.00 N ATOM 530 CA GLY A 38 6.125 -11.668 -0.967 1.00 0.00 C ATOM 531 C GLY A 38 6.202 -10.803 -2.174 1.00 0.00 C ATOM 532 O GLY A 38 7.296 -10.447 -2.612 1.00 0.00 O ATOM 0 H GLY A 38 4.752 -12.983 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.782 -11.065 -0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.129 -12.015 -0.722 1.00 0.00 H new ATOM 536 N LEU A 39 5.062 -10.418 -2.708 1.00 0.00 N ATOM 537 CA LEU A 39 4.974 -9.549 -3.848 1.00 0.00 C ATOM 538 C LEU A 39 4.885 -8.139 -3.307 1.00 0.00 C ATOM 539 O LEU A 39 4.520 -7.996 -2.143 1.00 0.00 O ATOM 540 CB LEU A 39 3.630 -9.903 -4.501 1.00 0.00 C ATOM 541 CG LEU A 39 2.416 -9.254 -3.778 1.00 0.00 C ATOM 542 CD1 LEU A 39 1.994 -8.004 -4.506 1.00 0.00 C ATOM 543 CD2 LEU A 39 1.223 -10.193 -3.595 1.00 0.00 C ATOM 0 H LEU A 39 4.154 -10.711 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 39 5.809 -9.641 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.641 -9.580 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.508 -10.986 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 39 2.755 -9.009 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.143 -7.555 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.822 -7.296 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.711 -8.256 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.419 -9.664 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.872 -10.530 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.526 -11.055 -3.001 1.00 0.00 H new ATOM 555 N VAL A 40 5.173 -7.078 -4.058 1.00 0.00 N ATOM 556 CA VAL A 40 5.049 -5.761 -3.481 1.00 0.00 C ATOM 557 C VAL A 40 3.999 -4.952 -4.246 1.00 0.00 C ATOM 558 O VAL A 40 3.914 -5.040 -5.471 1.00 0.00 O ATOM 559 CB VAL A 40 6.398 -5.029 -3.511 1.00 0.00 C ATOM 560 CG1 VAL A 40 6.357 -3.804 -2.615 1.00 0.00 C ATOM 561 CG2 VAL A 40 7.524 -5.970 -3.097 1.00 0.00 C ATOM 0 H VAL A 40 5.482 -7.108 -5.030 1.00 0.00 H new ATOM 0 HA VAL A 40 4.734 -5.866 -2.443 1.00 0.00 H new ATOM 0 HB VAL A 40 6.592 -4.697 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.321 -3.297 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.578 -3.125 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.142 -4.109 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.473 -5.435 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.341 -6.334 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.564 -6.815 -3.785 1.00 0.00 H new ATOM 571 N VAL A 41 3.198 -4.170 -3.526 1.00 0.00 N ATOM 572 CA VAL A 41 2.155 -3.361 -4.153 1.00 0.00 C ATOM 573 C VAL A 41 2.124 -1.950 -3.578 1.00 0.00 C ATOM 574 O VAL A 41 1.997 -1.762 -2.368 1.00 0.00 O ATOM 575 CB VAL A 41 0.754 -3.987 -3.978 1.00 0.00 C ATOM 576 CG1 VAL A 41 -0.312 -3.147 -4.667 1.00 0.00 C ATOM 577 CG2 VAL A 41 0.730 -5.411 -4.491 1.00 0.00 C ATOM 0 H VAL A 41 3.250 -4.079 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 41 2.402 -3.323 -5.214 1.00 0.00 H new ATOM 0 HB VAL A 41 0.529 -4.006 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.288 -3.612 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.322 -2.146 -4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.091 -3.081 -5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.267 -5.829 -4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.988 -5.421 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.452 -6.010 -3.936 1.00 0.00 H new ATOM 587 N GLY A 42 2.226 -0.961 -4.451 1.00 0.00 N ATOM 588 CA GLY A 42 2.193 0.416 -4.010 1.00 0.00 C ATOM 589 C GLY A 42 3.164 1.288 -4.764 1.00 0.00 C ATOM 590 O GLY A 42 4.112 0.798 -5.375 1.00 0.00 O ATOM 0 H GLY A 42 2.331 -1.087 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.184 0.810 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.423 0.459 -2.945 1.00 0.00 H new ATOM 594 N ASP A 43 2.925 2.587 -4.712 1.00 0.00 N ATOM 595 CA ASP A 43 3.780 3.547 -5.387 1.00 0.00 C ATOM 596 C ASP A 43 3.254 4.961 -5.182 1.00 0.00 C ATOM 597 O ASP A 43 3.725 5.688 -4.308 1.00 0.00 O ATOM 598 CB ASP A 43 3.875 3.225 -6.883 1.00 0.00 C ATOM 599 CG ASP A 43 5.233 2.673 -7.269 1.00 0.00 C ATOM 600 OD1 ASP A 43 6.183 3.473 -7.404 1.00 0.00 O ATOM 601 OD2 ASP A 43 5.348 1.441 -7.439 1.00 0.00 O ATOM 0 H ASP A 43 2.142 3.002 -4.207 1.00 0.00 H new ATOM 0 HA ASP A 43 4.779 3.481 -4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.103 2.501 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.675 4.128 -7.460 1.00 0.00 H new ATOM 606 N ARG A 44 2.273 5.354 -5.997 1.00 0.00 N ATOM 607 CA ARG A 44 1.685 6.688 -5.906 1.00 0.00 C ATOM 608 C ARG A 44 2.777 7.756 -5.852 1.00 0.00 C ATOM 609 O ARG A 44 3.038 8.341 -4.800 1.00 0.00 O ATOM 610 CB ARG A 44 0.783 6.789 -4.672 1.00 0.00 C ATOM 611 CG ARG A 44 -0.698 6.859 -5.010 1.00 0.00 C ATOM 612 CD ARG A 44 -1.468 5.692 -4.410 1.00 0.00 C ATOM 613 NE ARG A 44 -1.301 5.614 -2.959 1.00 0.00 N ATOM 614 CZ ARG A 44 -2.007 6.333 -2.090 1.00 0.00 C ATOM 615 NH1 ARG A 44 -2.926 7.190 -2.518 1.00 0.00 N ATOM 616 NH2 ARG A 44 -1.793 6.196 -0.788 1.00 0.00 N ATOM 0 H ARG A 44 1.870 4.766 -6.727 1.00 0.00 H new ATOM 0 HA ARG A 44 1.081 6.858 -6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.961 5.927 -4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.060 7.675 -4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.112 7.797 -4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.825 6.860 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.527 5.795 -4.648 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.128 4.761 -4.865 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.601 4.970 -2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.094 7.300 -3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.464 7.738 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.087 5.540 -0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.334 6.747 -0.122 1.00 0.00 H new ATOM 630 N VAL A 45 3.419 7.995 -6.990 1.00 0.00 N ATOM 631 CA VAL A 45 4.491 8.980 -7.071 1.00 0.00 C ATOM 632 C VAL A 45 3.982 10.325 -7.585 1.00 0.00 C ATOM 633 O VAL A 45 4.667 11.005 -8.350 1.00 0.00 O ATOM 634 CB VAL A 45 5.632 8.492 -7.983 1.00 0.00 C ATOM 635 CG1 VAL A 45 6.428 7.391 -7.300 1.00 0.00 C ATOM 636 CG2 VAL A 45 5.081 8.013 -9.319 1.00 0.00 C ATOM 0 H VAL A 45 3.216 7.520 -7.869 1.00 0.00 H new ATOM 0 HA VAL A 45 4.871 9.110 -6.058 1.00 0.00 H new ATOM 0 HB VAL A 45 6.304 9.329 -8.173 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.230 7.059 -7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.856 7.773 -6.373 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.770 6.551 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.902 7.672 -9.950 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.386 7.190 -9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.560 8.833 -9.813 1.00 0.00 H new ATOM 646 N ILE A 46 2.784 10.707 -7.155 1.00 0.00 N ATOM 647 CA ILE A 46 2.199 11.976 -7.570 1.00 0.00 C ATOM 648 C ILE A 46 2.909 13.146 -6.890 1.00 0.00 C ATOM 649 O ILE A 46 2.320 13.860 -6.078 1.00 0.00 O ATOM 650 CB ILE A 46 0.690 12.031 -7.251 1.00 0.00 C ATOM 651 CG1 ILE A 46 0.077 13.329 -7.780 1.00 0.00 C ATOM 652 CG2 ILE A 46 0.458 11.898 -5.753 1.00 0.00 C ATOM 653 CD1 ILE A 46 -0.763 13.137 -9.024 1.00 0.00 C ATOM 0 H ILE A 46 2.202 10.159 -6.522 1.00 0.00 H new ATOM 0 HA ILE A 46 2.328 12.056 -8.649 1.00 0.00 H new ATOM 0 HB ILE A 46 0.200 11.194 -7.749 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.540 13.774 -7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.877 14.037 -7.997 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.611 11.939 -5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.859 10.946 -5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.960 12.714 -5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.166 14.098 -9.343 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.145 12.720 -9.820 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.584 12.454 -8.807 1.00 0.00 H new ATOM 665 N ASP A 47 4.184 13.327 -7.224 1.00 0.00 N ATOM 666 CA ASP A 47 4.990 14.399 -6.645 1.00 0.00 C ATOM 667 C ASP A 47 4.303 15.755 -6.783 1.00 0.00 C ATOM 668 O ASP A 47 4.227 16.522 -5.824 1.00 0.00 O ATOM 669 CB ASP A 47 6.373 14.446 -7.305 1.00 0.00 C ATOM 670 CG ASP A 47 6.319 14.212 -8.803 1.00 0.00 C ATOM 671 OD1 ASP A 47 5.273 14.512 -9.415 1.00 0.00 O ATOM 672 OD2 ASP A 47 7.324 13.726 -9.362 1.00 0.00 O ATOM 0 H ASP A 47 4.683 12.743 -7.895 1.00 0.00 H new ATOM 0 HA ASP A 47 5.106 14.184 -5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.831 15.416 -7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.015 13.693 -6.847 1.00 0.00 H new ATOM 677 N VAL A 48 3.808 16.050 -7.982 1.00 0.00 N ATOM 678 CA VAL A 48 3.133 17.318 -8.238 1.00 0.00 C ATOM 679 C VAL A 48 2.010 17.560 -7.230 1.00 0.00 C ATOM 680 O VAL A 48 2.170 18.336 -6.288 1.00 0.00 O ATOM 681 CB VAL A 48 2.564 17.375 -9.670 1.00 0.00 C ATOM 682 CG1 VAL A 48 1.921 18.727 -9.941 1.00 0.00 C ATOM 683 CG2 VAL A 48 3.658 17.084 -10.688 1.00 0.00 C ATOM 0 H VAL A 48 3.862 15.429 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 48 3.881 18.104 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 48 1.794 16.610 -9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.526 18.745 -10.957 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.109 18.892 -9.233 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.667 19.514 -9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.240 17.128 -11.694 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.451 17.825 -10.592 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.067 16.090 -10.508 1.00 0.00 H new ATOM 693 N GLY A 49 0.876 16.893 -7.433 1.00 0.00 N ATOM 694 CA GLY A 49 -0.255 17.050 -6.533 1.00 0.00 C ATOM 695 C GLY A 49 -0.548 18.502 -6.201 1.00 0.00 C ATOM 696 O GLY A 49 -0.051 19.411 -6.867 1.00 0.00 O ATOM 0 H GLY A 49 0.720 16.246 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.139 16.601 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.057 16.504 -5.610 1.00 0.00 H new ATOM 700 N SER A 50 -1.354 18.717 -5.167 1.00 0.00 N ATOM 701 CA SER A 50 -1.714 20.066 -4.742 1.00 0.00 C ATOM 702 C SER A 50 -2.685 20.024 -3.567 1.00 0.00 C ATOM 703 O SER A 50 -3.838 20.439 -3.683 1.00 0.00 O ATOM 704 CB SER A 50 -2.335 20.846 -5.905 1.00 0.00 C ATOM 705 OG SER A 50 -2.929 22.050 -5.452 1.00 0.00 O ATOM 0 H SER A 50 -1.771 17.974 -4.607 1.00 0.00 H new ATOM 0 HA SER A 50 -0.804 20.573 -4.422 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.568 21.072 -6.646 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.086 20.230 -6.400 1.00 0.00 H new ATOM 0 HG SER A 50 -3.693 21.841 -4.875 1.00 0.00 H new ATOM 711 N GLU A 51 -2.211 19.517 -2.432 1.00 0.00 N ATOM 712 CA GLU A 51 -3.039 19.419 -1.237 1.00 0.00 C ATOM 713 C GLU A 51 -2.278 19.880 0.004 1.00 0.00 C ATOM 714 O GLU A 51 -2.634 19.523 1.127 1.00 0.00 O ATOM 715 CB GLU A 51 -3.524 17.979 -1.047 1.00 0.00 C ATOM 716 CG GLU A 51 -5.037 17.855 -0.944 1.00 0.00 C ATOM 717 CD GLU A 51 -5.620 18.738 0.141 1.00 0.00 C ATOM 718 OE1 GLU A 51 -5.668 18.292 1.308 1.00 0.00 O ATOM 719 OE2 GLU A 51 -6.031 19.874 -0.173 1.00 0.00 O ATOM 0 H GLU A 51 -1.259 19.169 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.900 20.074 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.174 17.373 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.072 17.568 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.486 18.118 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.300 16.817 -0.743 1.00 0.00 H new ATOM 726 N TRP A 52 -1.231 20.678 -0.206 1.00 0.00 N ATOM 727 CA TRP A 52 -0.418 21.192 0.894 1.00 0.00 C ATOM 728 C TRP A 52 0.292 20.062 1.633 1.00 0.00 C ATOM 729 O TRP A 52 1.508 19.900 1.516 1.00 0.00 O ATOM 730 CB TRP A 52 -1.284 21.993 1.870 1.00 0.00 C ATOM 731 CG TRP A 52 -1.673 23.342 1.349 1.00 0.00 C ATOM 732 CD1 TRP A 52 -0.836 24.308 0.868 1.00 0.00 C ATOM 733 CD2 TRP A 52 -2.999 23.876 1.256 1.00 0.00 C ATOM 734 NE1 TRP A 52 -1.560 25.410 0.481 1.00 0.00 N ATOM 735 CE2 TRP A 52 -2.889 25.170 0.709 1.00 0.00 C ATOM 736 CE3 TRP A 52 -4.266 23.387 1.579 1.00 0.00 C ATOM 737 CZ2 TRP A 52 -4.001 25.978 0.481 1.00 0.00 C ATOM 738 CZ3 TRP A 52 -5.369 24.190 1.352 1.00 0.00 C ATOM 739 CH2 TRP A 52 -5.230 25.472 0.807 1.00 0.00 C ATOM 0 H TRP A 52 -0.926 20.983 -1.131 1.00 0.00 H new ATOM 0 HA TRP A 52 0.340 21.849 0.468 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.186 21.424 2.095 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.743 22.116 2.808 1.00 0.00 H new ATOM 0 HD1 TRP A 52 0.238 24.219 0.801 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.171 26.267 0.088 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.383 22.399 1.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -3.897 26.968 0.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -6.354 23.822 1.599 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -6.111 26.074 0.640 1.00 0.00 H new ATOM 750 N ARG A 53 -0.470 19.284 2.396 1.00 0.00 N ATOM 751 CA ARG A 53 0.087 18.169 3.158 1.00 0.00 C ATOM 752 C ARG A 53 0.895 18.680 4.350 1.00 0.00 C ATOM 753 O ARG A 53 2.110 18.500 4.416 1.00 0.00 O ATOM 754 CB ARG A 53 0.959 17.286 2.260 1.00 0.00 C ATOM 755 CG ARG A 53 0.632 15.805 2.362 1.00 0.00 C ATOM 756 CD ARG A 53 1.069 15.228 3.699 1.00 0.00 C ATOM 757 NE ARG A 53 0.906 13.778 3.749 1.00 0.00 N ATOM 758 CZ ARG A 53 1.301 13.021 4.771 1.00 0.00 C ATOM 759 NH1 ARG A 53 1.884 13.574 5.828 1.00 0.00 N ATOM 760 NH2 ARG A 53 1.113 11.709 4.736 1.00 0.00 N ATOM 0 H ARG A 53 -1.477 19.405 2.504 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.740 17.568 3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.840 17.605 1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.006 17.437 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.441 15.659 2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.125 15.266 1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.114 15.482 3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.487 15.686 4.499 1.00 0.00 H new ATOM 0 HE ARG A 53 0.463 13.317 2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.031 14.583 5.860 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.185 12.990 6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.666 11.279 3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.416 11.129 5.519 1.00 0.00 H new ATOM 774 N THR A 54 0.206 19.319 5.290 1.00 0.00 N ATOM 775 CA THR A 54 0.852 19.858 6.481 1.00 0.00 C ATOM 776 C THR A 54 -0.177 20.489 7.414 1.00 0.00 C ATOM 777 O THR A 54 -1.382 20.354 7.208 1.00 0.00 O ATOM 778 CB THR A 54 1.912 20.893 6.089 1.00 0.00 C ATOM 779 OG1 THR A 54 1.739 21.305 4.744 1.00 0.00 O ATOM 780 CG2 THR A 54 3.329 20.380 6.233 1.00 0.00 C ATOM 0 H THR A 54 -0.801 19.476 5.250 1.00 0.00 H new ATOM 0 HA THR A 54 1.338 19.037 7.007 1.00 0.00 H new ATOM 0 HB THR A 54 1.771 21.726 6.778 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.424 21.967 4.514 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.030 21.161 5.940 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.511 20.100 7.271 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.467 19.509 5.593 1.00 0.00 H new ATOM 788 N PHE A 55 0.307 21.181 8.443 1.00 0.00 N ATOM 789 CA PHE A 55 -0.577 21.833 9.402 1.00 0.00 C ATOM 790 C PHE A 55 -0.751 23.310 9.064 1.00 0.00 C ATOM 791 O PHE A 55 -0.200 24.184 9.732 1.00 0.00 O ATOM 792 CB PHE A 55 -0.031 21.678 10.827 1.00 0.00 C ATOM 793 CG PHE A 55 1.414 22.067 10.974 1.00 0.00 C ATOM 794 CD1 PHE A 55 2.422 21.156 10.697 1.00 0.00 C ATOM 795 CD2 PHE A 55 1.765 23.340 11.394 1.00 0.00 C ATOM 796 CE1 PHE A 55 3.752 21.509 10.835 1.00 0.00 C ATOM 797 CE2 PHE A 55 3.092 23.698 11.534 1.00 0.00 C ATOM 798 CZ PHE A 55 4.087 22.781 11.254 1.00 0.00 C ATOM 0 H PHE A 55 1.302 21.304 8.632 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.552 21.350 9.345 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.631 22.287 11.503 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.151 20.641 11.140 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.165 20.159 10.370 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.992 24.061 11.615 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.528 20.790 10.615 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.351 24.694 11.862 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.125 23.059 11.363 1.00 0.00 H new ATOM 808 N SER A 56 -1.524 23.582 8.016 1.00 0.00 N ATOM 809 CA SER A 56 -1.774 24.953 7.583 1.00 0.00 C ATOM 810 C SER A 56 -0.486 25.614 7.105 1.00 0.00 C ATOM 811 O SER A 56 0.570 24.982 7.066 1.00 0.00 O ATOM 812 CB SER A 56 -2.388 25.769 8.722 1.00 0.00 C ATOM 813 OG SER A 56 -3.505 25.102 9.284 1.00 0.00 O ATOM 0 H SER A 56 -1.988 22.871 7.451 1.00 0.00 H new ATOM 0 HA SER A 56 -2.477 24.922 6.751 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.638 25.943 9.494 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.694 26.746 8.349 1.00 0.00 H new ATOM 0 HG SER A 56 -3.878 25.644 10.011 1.00 0.00 H new ATOM 819 N ASN A 57 -0.581 26.888 6.741 1.00 0.00 N ATOM 820 CA ASN A 57 0.578 27.634 6.264 1.00 0.00 C ATOM 821 C ASN A 57 1.279 28.346 7.417 1.00 0.00 C ATOM 822 O ASN A 57 0.711 28.509 8.497 1.00 0.00 O ATOM 823 CB ASN A 57 0.154 28.653 5.205 1.00 0.00 C ATOM 824 CG ASN A 57 1.326 29.152 4.381 1.00 0.00 C ATOM 825 OD1 ASN A 57 2.017 28.370 3.729 1.00 0.00 O ATOM 826 ND2 ASN A 57 1.553 30.460 4.407 1.00 0.00 N ATOM 0 H ASN A 57 -1.448 27.425 6.767 1.00 0.00 H new ATOM 0 HA ASN A 57 1.276 26.925 5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.585 28.200 4.544 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.331 29.499 5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.327 30.854 3.872 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.954 31.071 4.962 1.00 0.00 H new ATOM 833 N ASP A 58 2.517 28.766 7.180 1.00 0.00 N ATOM 834 CA ASP A 58 3.299 29.459 8.198 1.00 0.00 C ATOM 835 C ASP A 58 2.605 30.746 8.634 1.00 0.00 C ATOM 836 O ASP A 58 2.494 31.030 9.827 1.00 0.00 O ATOM 837 CB ASP A 58 4.699 29.775 7.671 1.00 0.00 C ATOM 838 CG ASP A 58 5.598 30.370 8.735 1.00 0.00 C ATOM 839 OD1 ASP A 58 6.270 29.594 9.447 1.00 0.00 O ATOM 840 OD2 ASP A 58 5.632 31.613 8.859 1.00 0.00 O ATOM 0 H ASP A 58 3.001 28.639 6.291 1.00 0.00 H new ATOM 0 HA ASP A 58 3.385 28.802 9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.153 28.862 7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.621 30.470 6.835 1.00 0.00 H new ATOM 845 N LYS A 59 2.141 31.522 7.658 1.00 0.00 N ATOM 846 CA LYS A 59 1.458 32.779 7.942 1.00 0.00 C ATOM 847 C LYS A 59 -0.055 32.588 7.942 1.00 0.00 C ATOM 848 O LYS A 59 -0.571 31.640 7.351 1.00 0.00 O ATOM 849 CB LYS A 59 1.850 33.838 6.912 1.00 0.00 C ATOM 850 CG LYS A 59 3.089 34.630 7.297 1.00 0.00 C ATOM 851 CD LYS A 59 4.031 34.806 6.115 1.00 0.00 C ATOM 852 CE LYS A 59 4.980 33.625 5.978 1.00 0.00 C ATOM 853 NZ LYS A 59 4.546 32.681 4.912 1.00 0.00 N ATOM 0 H LYS A 59 2.226 31.302 6.666 1.00 0.00 H new ATOM 0 HA LYS A 59 1.763 33.115 8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.023 33.353 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.016 34.527 6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.793 35.608 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.611 34.119 8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.451 34.916 5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.606 35.724 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.982 33.990 5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.039 33.095 6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.300 31.987 4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.684 32.186 5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.351 33.210 4.038 1.00 0.00 H new TER 867 LYS A 59 HETATM 868 ZN ZN A 61 0.710 -13.456 -1.200 1.00 0.00 ZN