USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -155:sc= -3.21! USER MOD Set 1.2: A 18 HIS : no HD1:sc= -12.2! C(o=-25!,f=-26!) USER MOD Set 1.3: A 34 CYS SG : rot -133:sc= -0.592 USER MOD Set 1.4: A 37 CYS SG : rot -139:sc= -9.16! USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= 0.112 USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0957 USER MOD Single : A 17 ASN : amide:sc= -0.0411 K(o=-0.041,f=-1.1!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -144:sc= -2.9! (180deg=-5.8!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -28:sc= 0.182 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -20.681 7.722 -6.210 1.00 0.00 N ATOM 2 CA ALA A 2 -20.259 9.118 -5.925 1.00 0.00 C ATOM 3 C ALA A 2 -19.166 9.567 -6.888 1.00 0.00 C ATOM 4 O ALA A 2 -18.464 8.743 -7.475 1.00 0.00 O ATOM 5 CB ALA A 2 -19.775 9.238 -4.487 1.00 0.00 C ATOM 0 HA ALA A 2 -21.122 9.769 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.469 10.265 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.582 8.964 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.927 8.571 -4.332 1.00 0.00 H new ATOM 10 N SER A 3 -19.026 10.880 -7.047 1.00 0.00 N ATOM 11 CA SER A 3 -18.018 11.439 -7.940 1.00 0.00 C ATOM 12 C SER A 3 -17.162 12.471 -7.214 1.00 0.00 C ATOM 13 O SER A 3 -17.290 13.674 -7.445 1.00 0.00 O ATOM 14 CB SER A 3 -18.684 12.077 -9.160 1.00 0.00 C ATOM 15 OG SER A 3 -19.931 11.462 -9.439 1.00 0.00 O ATOM 0 H SER A 3 -19.598 11.576 -6.569 1.00 0.00 H new ATOM 0 HA SER A 3 -17.372 10.627 -8.273 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.832 13.142 -8.982 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.028 11.986 -10.026 1.00 0.00 H new ATOM 0 HG SER A 3 -20.338 11.888 -10.222 1.00 0.00 H new ATOM 21 N THR A 4 -16.289 11.994 -6.332 1.00 0.00 N ATOM 22 CA THR A 4 -15.411 12.874 -5.570 1.00 0.00 C ATOM 23 C THR A 4 -14.026 12.256 -5.414 1.00 0.00 C ATOM 24 O THR A 4 -13.057 12.718 -6.016 1.00 0.00 O ATOM 25 CB THR A 4 -16.013 13.162 -4.194 1.00 0.00 C ATOM 26 OG1 THR A 4 -16.300 11.955 -3.510 1.00 0.00 O ATOM 27 CG2 THR A 4 -17.291 13.971 -4.257 1.00 0.00 C ATOM 0 H THR A 4 -16.171 11.002 -6.128 1.00 0.00 H new ATOM 0 HA THR A 4 -15.311 13.811 -6.118 1.00 0.00 H new ATOM 0 HB THR A 4 -15.260 13.746 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.683 12.160 -2.631 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.665 14.140 -3.247 1.00 0.00 H new ATOM 0 HG22 THR A 4 -17.091 14.930 -4.735 1.00 0.00 H new ATOM 0 HG23 THR A 4 -18.038 13.427 -4.834 1.00 0.00 H new ATOM 35 N SER A 5 -13.941 11.208 -4.601 1.00 0.00 N ATOM 36 CA SER A 5 -12.674 10.525 -4.366 1.00 0.00 C ATOM 37 C SER A 5 -12.477 9.389 -5.365 1.00 0.00 C ATOM 38 O SER A 5 -13.327 8.506 -5.491 1.00 0.00 O ATOM 39 CB SER A 5 -12.622 9.978 -2.937 1.00 0.00 C ATOM 40 OG SER A 5 -13.075 10.946 -2.005 1.00 0.00 O ATOM 0 H SER A 5 -14.734 10.814 -4.094 1.00 0.00 H new ATOM 0 HA SER A 5 -11.869 11.248 -4.500 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.238 9.082 -2.864 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.601 9.684 -2.694 1.00 0.00 H new ATOM 0 HG SER A 5 -13.034 10.573 -1.100 1.00 0.00 H new ATOM 46 N ARG A 6 -11.354 9.419 -6.073 1.00 0.00 N ATOM 47 CA ARG A 6 -11.048 8.392 -7.063 1.00 0.00 C ATOM 48 C ARG A 6 -10.354 7.198 -6.415 1.00 0.00 C ATOM 49 O ARG A 6 -10.923 6.110 -6.328 1.00 0.00 O ATOM 50 CB ARG A 6 -10.167 8.969 -8.171 1.00 0.00 C ATOM 51 CG ARG A 6 -10.955 9.528 -9.346 1.00 0.00 C ATOM 52 CD ARG A 6 -10.179 9.406 -10.646 1.00 0.00 C ATOM 53 NE ARG A 6 -11.027 9.635 -11.813 1.00 0.00 N ATOM 54 CZ ARG A 6 -11.459 10.836 -12.191 1.00 0.00 C ATOM 55 NH1 ARG A 6 -11.127 11.918 -11.498 1.00 0.00 N ATOM 56 NH2 ARG A 6 -12.228 10.956 -13.266 1.00 0.00 N ATOM 0 H ARG A 6 -10.641 10.142 -5.981 1.00 0.00 H new ATOM 0 HA ARG A 6 -11.988 8.050 -7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.543 9.759 -7.753 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.495 8.190 -8.532 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.903 8.997 -9.436 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.193 10.575 -9.160 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.359 10.124 -10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.734 8.413 -10.711 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.304 8.827 -12.371 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.537 11.832 -10.670 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.461 12.835 -11.793 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.488 10.128 -13.802 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.559 11.876 -13.556 1.00 0.00 H new ATOM 70 N LEU A 7 -9.122 7.408 -5.963 1.00 0.00 N ATOM 71 CA LEU A 7 -8.352 6.346 -5.325 1.00 0.00 C ATOM 72 C LEU A 7 -8.951 5.975 -3.971 1.00 0.00 C ATOM 73 O LEU A 7 -9.726 5.024 -3.866 1.00 0.00 O ATOM 74 CB LEU A 7 -6.891 6.773 -5.162 1.00 0.00 C ATOM 75 CG LEU A 7 -6.084 6.830 -6.462 1.00 0.00 C ATOM 76 CD1 LEU A 7 -5.076 7.968 -6.416 1.00 0.00 C ATOM 77 CD2 LEU A 7 -5.384 5.502 -6.713 1.00 0.00 C ATOM 0 H LEU A 7 -8.636 8.302 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.391 5.465 -5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.866 7.757 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.400 6.081 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.772 7.016 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.512 7.992 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.601 8.914 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.391 7.814 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.815 5.560 -7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.708 5.285 -5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.127 4.708 -6.792 1.00 0.00 H new ATOM 89 N ASP A 8 -8.590 6.734 -2.933 1.00 0.00 N ATOM 90 CA ASP A 8 -9.092 6.491 -1.579 1.00 0.00 C ATOM 91 C ASP A 8 -9.114 5.000 -1.248 1.00 0.00 C ATOM 92 O ASP A 8 -10.165 4.360 -1.294 1.00 0.00 O ATOM 93 CB ASP A 8 -10.494 7.083 -1.418 1.00 0.00 C ATOM 94 CG ASP A 8 -11.475 6.539 -2.437 1.00 0.00 C ATOM 95 OD1 ASP A 8 -11.488 7.048 -3.577 1.00 0.00 O ATOM 96 OD2 ASP A 8 -12.228 5.604 -2.095 1.00 0.00 O ATOM 0 H ASP A 8 -7.950 7.525 -3.006 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.412 6.981 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.862 6.869 -0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.440 8.167 -1.514 1.00 0.00 H new ATOM 101 N ALA A 9 -7.949 4.454 -0.914 1.00 0.00 N ATOM 102 CA ALA A 9 -7.837 3.040 -0.577 1.00 0.00 C ATOM 103 C ALA A 9 -6.436 2.704 -0.078 1.00 0.00 C ATOM 104 O ALA A 9 -5.441 3.038 -0.722 1.00 0.00 O ATOM 105 CB ALA A 9 -8.190 2.181 -1.783 1.00 0.00 C ATOM 0 H ALA A 9 -7.070 4.969 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.541 2.826 0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.102 1.127 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.213 2.393 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.508 2.407 -2.603 1.00 0.00 H new ATOM 111 N LEU A 10 -6.366 2.044 1.073 1.00 0.00 N ATOM 112 CA LEU A 10 -5.084 1.666 1.658 1.00 0.00 C ATOM 113 C LEU A 10 -4.619 0.304 1.140 1.00 0.00 C ATOM 114 O LEU A 10 -3.577 0.206 0.493 1.00 0.00 O ATOM 115 CB LEU A 10 -5.182 1.645 3.187 1.00 0.00 C ATOM 116 CG LEU A 10 -4.628 2.888 3.886 1.00 0.00 C ATOM 117 CD1 LEU A 10 -5.696 3.968 3.977 1.00 0.00 C ATOM 118 CD2 LEU A 10 -4.108 2.532 5.272 1.00 0.00 C ATOM 0 H LEU A 10 -7.180 1.760 1.619 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.346 2.411 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.228 1.524 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.649 0.770 3.559 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.797 3.275 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.285 4.845 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.023 4.242 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.546 3.592 4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.718 3.428 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.921 2.121 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.313 1.792 5.183 1.00 0.00 H new ATOM 130 N PRO A 11 -5.383 -0.770 1.417 1.00 0.00 N ATOM 131 CA PRO A 11 -5.030 -2.119 0.972 1.00 0.00 C ATOM 132 C PRO A 11 -5.359 -2.351 -0.509 1.00 0.00 C ATOM 133 O PRO A 11 -4.612 -1.910 -1.382 1.00 0.00 O ATOM 134 CB PRO A 11 -5.869 -3.008 1.892 1.00 0.00 C ATOM 135 CG PRO A 11 -7.088 -2.200 2.175 1.00 0.00 C ATOM 136 CD PRO A 11 -6.645 -0.757 2.186 1.00 0.00 C ATOM 0 HA PRO A 11 -3.961 -2.321 1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.121 -3.953 1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.331 -3.251 2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.851 -2.367 1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.526 -2.480 3.133 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.388 -0.107 1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.491 -0.394 3.202 1.00 0.00 H new ATOM 144 N ARG A 12 -6.473 -3.036 -0.796 1.00 0.00 N ATOM 145 CA ARG A 12 -6.875 -3.306 -2.175 1.00 0.00 C ATOM 146 C ARG A 12 -8.005 -4.334 -2.222 1.00 0.00 C ATOM 147 O ARG A 12 -9.175 -3.977 -2.368 1.00 0.00 O ATOM 148 CB ARG A 12 -5.684 -3.802 -3.003 1.00 0.00 C ATOM 149 CG ARG A 12 -5.134 -2.759 -3.962 1.00 0.00 C ATOM 150 CD ARG A 12 -5.903 -2.747 -5.274 1.00 0.00 C ATOM 151 NE ARG A 12 -5.028 -2.505 -6.417 1.00 0.00 N ATOM 152 CZ ARG A 12 -4.122 -3.378 -6.856 1.00 0.00 C ATOM 153 NH1 ARG A 12 -3.978 -4.552 -6.255 1.00 0.00 N ATOM 154 NH2 ARG A 12 -3.363 -3.075 -7.899 1.00 0.00 N ATOM 0 H ARG A 12 -7.108 -3.411 -0.091 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.235 -2.371 -2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.889 -4.118 -2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.988 -4.681 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.187 -1.774 -3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.081 -2.963 -4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.414 -3.701 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.672 -1.976 -5.236 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.115 -1.615 -6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.562 -4.790 -5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.283 -5.217 -6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.473 -2.174 -8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.669 -3.742 -8.236 1.00 0.00 H new ATOM 168 N VAL A 13 -7.650 -5.611 -2.099 1.00 0.00 N ATOM 169 CA VAL A 13 -8.636 -6.687 -2.128 1.00 0.00 C ATOM 170 C VAL A 13 -8.027 -8.008 -1.645 1.00 0.00 C ATOM 171 O VAL A 13 -7.981 -8.269 -0.443 1.00 0.00 O ATOM 172 CB VAL A 13 -9.240 -6.872 -3.539 1.00 0.00 C ATOM 173 CG1 VAL A 13 -10.526 -6.071 -3.677 1.00 0.00 C ATOM 174 CG2 VAL A 13 -8.238 -6.473 -4.614 1.00 0.00 C ATOM 0 H VAL A 13 -6.687 -5.925 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.438 -6.400 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.476 -7.927 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.938 -6.213 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.248 -6.412 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.315 -5.013 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.686 -6.612 -5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.963 -5.426 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.347 -7.095 -4.530 1.00 0.00 H new ATOM 184 N THR A 14 -7.561 -8.841 -2.577 1.00 0.00 N ATOM 185 CA THR A 14 -6.964 -10.124 -2.216 1.00 0.00 C ATOM 186 C THR A 14 -6.411 -10.843 -3.442 1.00 0.00 C ATOM 187 O THR A 14 -6.657 -10.448 -4.580 1.00 0.00 O ATOM 188 CB THR A 14 -7.993 -11.024 -1.528 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.310 -10.650 -1.892 1.00 0.00 O ATOM 190 CG2 THR A 14 -7.909 -10.999 -0.017 1.00 0.00 C ATOM 0 H THR A 14 -7.586 -8.651 -3.579 1.00 0.00 H new ATOM 0 HA THR A 14 -6.143 -9.917 -1.529 1.00 0.00 H new ATOM 0 HB THR A 14 -7.759 -12.033 -1.867 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.953 -11.238 -1.443 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.668 -11.660 0.401 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.921 -11.336 0.298 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.077 -9.983 0.340 1.00 0.00 H new ATOM 198 N CYS A 15 -5.660 -11.907 -3.182 1.00 0.00 N ATOM 199 CA CYS A 15 -5.054 -12.713 -4.239 1.00 0.00 C ATOM 200 C CYS A 15 -6.068 -13.675 -4.872 1.00 0.00 C ATOM 201 O CYS A 15 -6.972 -14.169 -4.195 1.00 0.00 O ATOM 202 CB CYS A 15 -3.886 -13.498 -3.650 1.00 0.00 C ATOM 203 SG CYS A 15 -3.193 -14.766 -4.736 1.00 0.00 S ATOM 0 H CYS A 15 -5.454 -12.235 -2.238 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.704 -12.046 -5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.095 -12.797 -3.383 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.216 -13.973 -2.726 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.617 -15.684 -4.018 1.00 0.00 H new ATOM 209 N PRO A 16 -5.924 -13.954 -6.184 1.00 0.00 N ATOM 210 CA PRO A 16 -6.823 -14.863 -6.911 1.00 0.00 C ATOM 211 C PRO A 16 -6.788 -16.288 -6.365 1.00 0.00 C ATOM 212 O PRO A 16 -7.834 -16.908 -6.165 1.00 0.00 O ATOM 213 CB PRO A 16 -6.295 -14.826 -8.350 1.00 0.00 C ATOM 214 CG PRO A 16 -4.888 -14.351 -8.229 1.00 0.00 C ATOM 215 CD PRO A 16 -4.876 -13.409 -7.061 1.00 0.00 C ATOM 0 HA PRO A 16 -7.864 -14.553 -6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.341 -15.812 -8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.887 -14.154 -8.971 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.206 -15.185 -8.066 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.565 -13.848 -9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.905 -13.392 -6.566 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.097 -12.386 -7.366 1.00 0.00 H new ATOM 223 N ASN A 17 -5.588 -16.800 -6.093 1.00 0.00 N ATOM 224 CA ASN A 17 -5.431 -18.141 -5.533 1.00 0.00 C ATOM 225 C ASN A 17 -5.013 -18.012 -4.074 1.00 0.00 C ATOM 226 O ASN A 17 -4.299 -18.833 -3.531 1.00 0.00 O ATOM 227 CB ASN A 17 -4.386 -18.932 -6.322 1.00 0.00 C ATOM 228 CG ASN A 17 -4.876 -19.312 -7.704 1.00 0.00 C ATOM 229 OD1 ASN A 17 -6.074 -19.495 -7.921 1.00 0.00 O ATOM 230 ND2 ASN A 17 -3.950 -19.435 -8.649 1.00 0.00 N ATOM 0 H ASN A 17 -4.710 -16.306 -6.252 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.376 -18.680 -5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.476 -18.339 -6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.124 -19.835 -5.771 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.221 -19.690 -9.599 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.968 -19.274 -8.425 1.00 0.00 H new ATOM 237 N HIS A 18 -5.593 -17.030 -3.434 1.00 0.00 N ATOM 238 CA HIS A 18 -5.382 -16.807 -2.013 1.00 0.00 C ATOM 239 C HIS A 18 -6.482 -15.929 -1.489 1.00 0.00 C ATOM 240 O HIS A 18 -6.288 -14.788 -1.062 1.00 0.00 O ATOM 241 CB HIS A 18 -3.990 -16.266 -1.720 1.00 0.00 C ATOM 242 CG HIS A 18 -2.942 -17.328 -1.847 1.00 0.00 C ATOM 243 ND1 HIS A 18 -1.808 -17.185 -2.617 1.00 0.00 N ATOM 244 CD2 HIS A 18 -2.889 -18.582 -1.333 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.105 -18.305 -2.575 1.00 0.00 C ATOM 246 NE2 HIS A 18 -1.739 -19.167 -1.803 1.00 0.00 N ATOM 0 H HIS A 18 -6.224 -16.360 -3.874 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.427 -17.760 -1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.765 -15.450 -2.407 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -3.966 -15.851 -0.713 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.616 -19.036 -0.676 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.170 -18.483 -3.086 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.426 -20.114 -1.590 1.00 0.00 H new ATOM 255 N PRO A 19 -7.676 -16.513 -1.550 1.00 0.00 N ATOM 256 CA PRO A 19 -8.923 -15.893 -1.127 1.00 0.00 C ATOM 257 C PRO A 19 -9.026 -15.729 0.379 1.00 0.00 C ATOM 258 O PRO A 19 -10.101 -15.432 0.897 1.00 0.00 O ATOM 259 CB PRO A 19 -9.981 -16.882 -1.624 1.00 0.00 C ATOM 260 CG PRO A 19 -9.269 -18.193 -1.687 1.00 0.00 C ATOM 261 CD PRO A 19 -7.874 -17.875 -2.068 1.00 0.00 C ATOM 0 HA PRO A 19 -9.026 -14.882 -1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.833 -16.926 -0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.366 -16.593 -2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.305 -18.704 -0.725 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.733 -18.855 -2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.168 -18.578 -1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.734 -17.918 -3.148 1.00 0.00 H new ATOM 269 N ASP A 20 -7.913 -15.891 1.091 1.00 0.00 N ATOM 270 CA ASP A 20 -7.904 -15.730 2.530 1.00 0.00 C ATOM 271 C ASP A 20 -6.664 -14.928 2.963 1.00 0.00 C ATOM 272 O ASP A 20 -6.628 -14.355 4.052 1.00 0.00 O ATOM 273 CB ASP A 20 -7.925 -17.092 3.225 1.00 0.00 C ATOM 274 CG ASP A 20 -9.266 -17.387 3.867 1.00 0.00 C ATOM 275 OD1 ASP A 20 -10.303 -17.162 3.207 1.00 0.00 O ATOM 276 OD2 ASP A 20 -9.280 -17.843 5.029 1.00 0.00 O ATOM 0 H ASP A 20 -7.008 -16.134 0.688 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.799 -15.182 2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.692 -17.872 2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.145 -17.122 3.986 1.00 0.00 H new ATOM 281 N ALA A 21 -5.673 -14.844 2.071 1.00 0.00 N ATOM 282 CA ALA A 21 -4.466 -14.069 2.332 1.00 0.00 C ATOM 283 C ALA A 21 -4.613 -12.720 1.659 1.00 0.00 C ATOM 284 O ALA A 21 -5.008 -12.641 0.496 1.00 0.00 O ATOM 285 CB ALA A 21 -3.227 -14.793 1.834 1.00 0.00 C ATOM 0 H ALA A 21 -5.687 -15.306 1.162 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.343 -13.936 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.344 -14.189 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.138 -15.754 2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.308 -14.956 0.759 1.00 0.00 H new ATOM 291 N ILE A 22 -4.342 -11.659 2.393 1.00 0.00 N ATOM 292 CA ILE A 22 -4.501 -10.321 1.848 1.00 0.00 C ATOM 293 C ILE A 22 -3.174 -9.639 1.546 1.00 0.00 C ATOM 294 O ILE A 22 -2.654 -8.903 2.385 1.00 0.00 O ATOM 295 CB ILE A 22 -5.307 -9.417 2.803 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.430 -10.210 3.475 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.871 -8.222 2.049 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.006 -10.882 4.761 1.00 0.00 C ATOM 0 H ILE A 22 -4.014 -11.693 3.358 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.041 -10.455 0.911 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.637 -9.050 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.264 -9.540 3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.795 -10.968 2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.437 -7.593 2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.053 -7.644 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.527 -8.571 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.851 -11.426 5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.192 -11.578 4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.669 -10.128 5.472 1.00 0.00 H new ATOM 310 N LEU A 23 -2.642 -9.866 0.332 1.00 0.00 N ATOM 311 CA LEU A 23 -1.387 -9.239 -0.087 1.00 0.00 C ATOM 312 C LEU A 23 -1.057 -8.080 0.831 1.00 0.00 C ATOM 313 O LEU A 23 -1.682 -7.036 0.774 1.00 0.00 O ATOM 314 CB LEU A 23 -1.496 -8.717 -1.519 1.00 0.00 C ATOM 315 CG LEU A 23 -1.079 -9.690 -2.619 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.239 -10.602 -2.978 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.589 -8.928 -3.845 1.00 0.00 C ATOM 0 H LEU A 23 -3.063 -10.476 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.599 -9.991 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.529 -8.418 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.885 -7.819 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.258 -10.306 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.930 -11.292 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.543 -11.168 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.078 -10.002 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.295 -9.636 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.389 -8.290 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.268 -8.313 -3.572 1.00 0.00 H new ATOM 329 N VAL A 24 -0.105 -8.275 1.701 1.00 0.00 N ATOM 330 CA VAL A 24 0.248 -7.230 2.641 1.00 0.00 C ATOM 331 C VAL A 24 0.776 -6.031 1.908 1.00 0.00 C ATOM 332 O VAL A 24 1.000 -6.082 0.701 1.00 0.00 O ATOM 333 CB VAL A 24 1.226 -7.760 3.685 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.242 -6.880 4.926 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.812 -9.188 4.027 1.00 0.00 C ATOM 0 H VAL A 24 0.439 -9.134 1.784 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.644 -6.909 3.180 1.00 0.00 H new ATOM 0 HB VAL A 24 2.240 -7.749 3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.949 -7.285 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.543 -5.869 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.245 -6.855 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.494 -9.596 4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.203 -9.187 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.849 -9.803 3.128 1.00 0.00 H new ATOM 345 N GLU A 25 0.956 -4.951 2.627 1.00 0.00 N ATOM 346 CA GLU A 25 1.428 -3.741 2.028 1.00 0.00 C ATOM 347 C GLU A 25 2.867 -3.511 2.374 1.00 0.00 C ATOM 348 O GLU A 25 3.172 -3.021 3.448 1.00 0.00 O ATOM 349 CB GLU A 25 0.580 -2.552 2.482 1.00 0.00 C ATOM 350 CG GLU A 25 -0.625 -2.291 1.591 1.00 0.00 C ATOM 351 CD GLU A 25 -0.586 -0.920 0.939 1.00 0.00 C ATOM 352 OE1 GLU A 25 0.117 -0.770 -0.081 1.00 0.00 O ATOM 353 OE2 GLU A 25 -1.259 -0.001 1.450 1.00 0.00 O ATOM 0 H GLU A 25 0.781 -4.891 3.630 1.00 0.00 H new ATOM 0 HA GLU A 25 1.341 -3.838 0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.237 -2.729 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.204 -1.659 2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.671 -3.056 0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.536 -2.381 2.183 1.00 0.00 H new ATOM 360 N ASP A 26 3.745 -3.899 1.466 1.00 0.00 N ATOM 361 CA ASP A 26 5.176 -3.741 1.636 1.00 0.00 C ATOM 362 C ASP A 26 5.803 -4.844 2.477 1.00 0.00 C ATOM 363 O ASP A 26 5.923 -4.729 3.696 1.00 0.00 O ATOM 364 CB ASP A 26 5.505 -2.365 2.214 1.00 0.00 C ATOM 365 CG ASP A 26 4.692 -1.256 1.572 1.00 0.00 C ATOM 366 OD1 ASP A 26 4.114 -1.491 0.493 1.00 0.00 O ATOM 367 OD2 ASP A 26 4.636 -0.151 2.153 1.00 0.00 O ATOM 0 H ASP A 26 3.481 -4.336 0.583 1.00 0.00 H new ATOM 0 HA ASP A 26 5.616 -3.823 0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.320 -2.372 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.567 -2.160 2.075 1.00 0.00 H new ATOM 372 N TYR A 27 6.215 -5.908 1.797 1.00 0.00 N ATOM 373 CA TYR A 27 6.852 -7.040 2.450 1.00 0.00 C ATOM 374 C TYR A 27 7.485 -7.960 1.416 1.00 0.00 C ATOM 375 O TYR A 27 6.967 -8.129 0.311 1.00 0.00 O ATOM 376 CB TYR A 27 5.847 -7.801 3.315 1.00 0.00 C ATOM 377 CG TYR A 27 5.877 -7.391 4.771 1.00 0.00 C ATOM 378 CD1 TYR A 27 7.083 -7.222 5.438 1.00 0.00 C ATOM 379 CD2 TYR A 27 4.702 -7.169 5.474 1.00 0.00 C ATOM 380 CE1 TYR A 27 7.116 -6.844 6.767 1.00 0.00 C ATOM 381 CE2 TYR A 27 4.725 -6.792 6.804 1.00 0.00 C ATOM 382 CZ TYR A 27 5.935 -6.631 7.445 1.00 0.00 C ATOM 383 OH TYR A 27 5.964 -6.253 8.767 1.00 0.00 O ATOM 0 H TYR A 27 6.117 -6.008 0.787 1.00 0.00 H new ATOM 0 HA TYR A 27 7.640 -6.665 3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.844 -7.640 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.051 -8.869 3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.010 -7.389 4.910 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.753 -7.293 4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.062 -6.716 7.272 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.801 -6.625 7.337 1.00 0.00 H new ATOM 0 HH TYR A 27 5.047 -6.143 9.096 1.00 0.00 H new ATOM 393 N ARG A 28 8.630 -8.531 1.777 1.00 0.00 N ATOM 394 CA ARG A 28 9.361 -9.415 0.882 1.00 0.00 C ATOM 395 C ARG A 28 9.991 -8.621 -0.264 1.00 0.00 C ATOM 396 O ARG A 28 10.556 -9.205 -1.188 1.00 0.00 O ATOM 397 CB ARG A 28 8.439 -10.505 0.325 1.00 0.00 C ATOM 398 CG ARG A 28 8.943 -11.919 0.579 1.00 0.00 C ATOM 399 CD ARG A 28 9.147 -12.185 2.063 1.00 0.00 C ATOM 400 NE ARG A 28 8.345 -13.313 2.531 1.00 0.00 N ATOM 401 CZ ARG A 28 8.550 -13.938 3.689 1.00 0.00 C ATOM 402 NH1 ARG A 28 9.531 -13.550 4.497 1.00 0.00 N ATOM 403 NH2 ARG A 28 7.775 -14.955 4.040 1.00 0.00 N ATOM 0 H ARG A 28 9.071 -8.395 2.687 1.00 0.00 H new ATOM 0 HA ARG A 28 10.157 -9.892 1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.450 -10.395 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.323 -10.357 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.230 -12.638 0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.883 -12.071 0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.201 -12.385 2.254 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.884 -11.293 2.631 1.00 0.00 H new ATOM 0 HE ARG A 28 7.584 -13.641 1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.132 -12.770 4.232 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.683 -14.033 5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.022 -15.259 3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.932 -15.434 4.927 1.00 0.00 H new ATOM 417 N ALA A 29 9.897 -7.288 -0.191 1.00 0.00 N ATOM 418 CA ALA A 29 10.458 -6.400 -1.213 1.00 0.00 C ATOM 419 C ALA A 29 9.769 -5.040 -1.175 1.00 0.00 C ATOM 420 O ALA A 29 10.306 -4.072 -0.635 1.00 0.00 O ATOM 421 CB ALA A 29 10.326 -7.012 -2.604 1.00 0.00 C ATOM 0 H ALA A 29 9.433 -6.798 0.574 1.00 0.00 H new ATOM 0 HA ALA A 29 11.518 -6.267 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.750 -6.332 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.860 -7.962 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.273 -7.181 -2.829 1.00 0.00 H new ATOM 427 N GLY A 30 8.571 -4.983 -1.745 1.00 0.00 N ATOM 428 CA GLY A 30 7.806 -3.750 -1.769 1.00 0.00 C ATOM 429 C GLY A 30 6.446 -3.950 -2.407 1.00 0.00 C ATOM 430 O GLY A 30 6.110 -5.065 -2.807 1.00 0.00 O ATOM 0 H GLY A 30 8.113 -5.776 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.680 -3.379 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.359 -2.989 -2.320 1.00 0.00 H new ATOM 434 N ASP A 31 5.648 -2.888 -2.496 1.00 0.00 N ATOM 435 CA ASP A 31 4.316 -3.000 -3.080 1.00 0.00 C ATOM 436 C ASP A 31 3.454 -3.915 -2.214 1.00 0.00 C ATOM 437 O ASP A 31 3.544 -3.865 -0.997 1.00 0.00 O ATOM 438 CB ASP A 31 4.400 -3.514 -4.524 1.00 0.00 C ATOM 439 CG ASP A 31 5.615 -2.989 -5.264 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.147 -1.936 -4.857 1.00 0.00 O ATOM 441 OD2 ASP A 31 6.034 -3.630 -6.251 1.00 0.00 O ATOM 0 H ASP A 31 5.897 -1.952 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 31 3.852 -2.014 -3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.428 -4.604 -4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.498 -3.222 -5.062 1.00 0.00 H new ATOM 446 N MET A 32 2.615 -4.740 -2.835 1.00 0.00 N ATOM 447 CA MET A 32 1.747 -5.642 -2.084 1.00 0.00 C ATOM 448 C MET A 32 2.146 -7.102 -2.305 1.00 0.00 C ATOM 449 O MET A 32 2.118 -7.602 -3.429 1.00 0.00 O ATOM 450 CB MET A 32 0.300 -5.425 -2.500 1.00 0.00 C ATOM 451 CG MET A 32 -0.237 -4.048 -2.138 1.00 0.00 C ATOM 452 SD MET A 32 -1.928 -3.790 -2.708 1.00 0.00 S ATOM 453 CE MET A 32 -1.640 -3.262 -4.395 1.00 0.00 C ATOM 0 H MET A 32 2.518 -4.803 -3.848 1.00 0.00 H new ATOM 0 HA MET A 32 1.856 -5.421 -1.022 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.215 -5.567 -3.577 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.323 -6.185 -2.028 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.199 -3.920 -1.056 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.409 -3.285 -2.572 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.376 -2.506 -4.670 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.638 -2.841 -4.478 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.731 -4.117 -5.064 1.00 0.00 H new ATOM 463 N ILE A 33 2.570 -7.760 -1.229 1.00 0.00 N ATOM 464 CA ILE A 33 3.040 -9.143 -1.281 1.00 0.00 C ATOM 465 C ILE A 33 2.083 -10.116 -0.593 1.00 0.00 C ATOM 466 O ILE A 33 1.767 -9.968 0.587 1.00 0.00 O ATOM 467 CB ILE A 33 4.410 -9.212 -0.572 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.111 -10.555 -0.808 1.00 0.00 C ATOM 469 CG2 ILE A 33 4.240 -8.937 0.917 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.736 -11.642 0.181 1.00 0.00 C ATOM 0 H ILE A 33 2.598 -7.350 -0.296 1.00 0.00 H new ATOM 0 HA ILE A 33 3.107 -9.437 -2.329 1.00 0.00 H new ATOM 0 HB ILE A 33 5.051 -8.442 -1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.877 -10.901 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.189 -10.400 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.211 -8.988 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.813 -7.944 1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.574 -9.683 1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.278 -12.556 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.996 -11.322 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.664 -11.830 0.126 1.00 0.00 H new ATOM 482 N CYS A 34 1.637 -11.124 -1.329 1.00 0.00 N ATOM 483 CA CYS A 34 0.762 -12.131 -0.754 1.00 0.00 C ATOM 484 C CYS A 34 1.631 -13.162 -0.046 1.00 0.00 C ATOM 485 O CYS A 34 2.201 -14.014 -0.698 1.00 0.00 O ATOM 486 CB CYS A 34 -0.055 -12.831 -1.834 1.00 0.00 C ATOM 487 SG CYS A 34 -1.537 -13.665 -1.216 1.00 0.00 S ATOM 0 H CYS A 34 1.864 -11.264 -2.313 1.00 0.00 H new ATOM 0 HA CYS A 34 0.071 -11.651 -0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.350 -12.097 -2.584 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.578 -13.563 -2.336 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.600 -14.864 -1.715 1.00 0.00 H new ATOM 493 N PRO A 35 1.749 -13.121 1.293 1.00 0.00 N ATOM 494 CA PRO A 35 2.586 -14.081 2.037 1.00 0.00 C ATOM 495 C PRO A 35 2.407 -15.524 1.554 1.00 0.00 C ATOM 496 O PRO A 35 3.254 -16.389 1.784 1.00 0.00 O ATOM 497 CB PRO A 35 2.111 -13.927 3.493 1.00 0.00 C ATOM 498 CG PRO A 35 0.952 -12.973 3.457 1.00 0.00 C ATOM 499 CD PRO A 35 1.083 -12.176 2.191 1.00 0.00 C ATOM 0 HA PRO A 35 3.648 -13.877 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.811 -14.889 3.908 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.912 -13.543 4.125 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.006 -13.514 3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.963 -12.318 4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.113 -11.864 1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.673 -11.272 2.339 1.00 0.00 H new ATOM 507 N GLU A 36 1.283 -15.757 0.903 1.00 0.00 N ATOM 508 CA GLU A 36 0.938 -17.073 0.395 1.00 0.00 C ATOM 509 C GLU A 36 1.556 -17.321 -0.978 1.00 0.00 C ATOM 510 O GLU A 36 2.405 -18.190 -1.129 1.00 0.00 O ATOM 511 CB GLU A 36 -0.577 -17.242 0.346 1.00 0.00 C ATOM 512 CG GLU A 36 -1.211 -17.432 1.716 1.00 0.00 C ATOM 513 CD GLU A 36 -0.906 -18.794 2.309 1.00 0.00 C ATOM 514 OE1 GLU A 36 -1.501 -19.789 1.847 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.071 -18.866 3.235 1.00 0.00 O ATOM 0 H GLU A 36 0.583 -15.040 0.711 1.00 0.00 H new ATOM 0 HA GLU A 36 1.350 -17.816 1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.017 -16.366 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.819 -18.101 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.851 -16.656 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.291 -17.308 1.634 1.00 0.00 H new ATOM 522 N CYS A 37 1.207 -16.503 -1.954 1.00 0.00 N ATOM 523 CA CYS A 37 1.817 -16.639 -3.273 1.00 0.00 C ATOM 524 C CYS A 37 3.011 -15.709 -3.356 1.00 0.00 C ATOM 525 O CYS A 37 3.838 -15.803 -4.262 1.00 0.00 O ATOM 526 CB CYS A 37 0.826 -16.370 -4.408 1.00 0.00 C ATOM 527 SG CYS A 37 0.054 -14.746 -4.360 1.00 0.00 S ATOM 0 H CYS A 37 0.521 -15.753 -1.868 1.00 0.00 H new ATOM 0 HA CYS A 37 2.142 -17.672 -3.399 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.345 -16.483 -5.360 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.045 -17.130 -4.378 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.205 -14.855 -4.666 1.00 0.00 H new ATOM 533 N GLY A 38 3.097 -14.822 -2.368 1.00 0.00 N ATOM 534 CA GLY A 38 4.171 -13.876 -2.254 1.00 0.00 C ATOM 535 C GLY A 38 4.367 -13.043 -3.480 1.00 0.00 C ATOM 536 O GLY A 38 5.462 -12.543 -3.741 1.00 0.00 O ATOM 0 H GLY A 38 2.406 -14.750 -1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.977 -13.219 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.095 -14.412 -2.038 1.00 0.00 H new ATOM 540 N LEU A 39 3.300 -12.877 -4.226 1.00 0.00 N ATOM 541 CA LEU A 39 3.321 -12.085 -5.426 1.00 0.00 C ATOM 542 C LEU A 39 3.434 -10.607 -5.065 1.00 0.00 C ATOM 543 O LEU A 39 3.084 -10.222 -3.953 1.00 0.00 O ATOM 544 CB LEU A 39 2.017 -12.341 -6.168 1.00 0.00 C ATOM 545 CG LEU A 39 0.889 -11.385 -5.784 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.897 -10.200 -6.716 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.458 -12.081 -5.806 1.00 0.00 C ATOM 0 H LEU A 39 2.392 -13.290 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 39 4.174 -12.352 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.198 -12.261 -7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.695 -13.364 -5.974 1.00 0.00 H new ATOM 0 HG LEU A 39 1.056 -11.040 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.093 -9.517 -6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.854 -9.683 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.751 -10.542 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.238 -11.372 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.654 -12.462 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.451 -12.909 -5.098 1.00 0.00 H new ATOM 559 N VAL A 40 3.923 -9.789 -5.991 1.00 0.00 N ATOM 560 CA VAL A 40 4.073 -8.363 -5.731 1.00 0.00 C ATOM 561 C VAL A 40 3.230 -7.520 -6.679 1.00 0.00 C ATOM 562 O VAL A 40 3.438 -7.529 -7.892 1.00 0.00 O ATOM 563 CB VAL A 40 5.540 -7.916 -5.845 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.719 -6.533 -5.241 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.466 -8.923 -5.181 1.00 0.00 C ATOM 0 H VAL A 40 4.220 -10.086 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 40 3.726 -8.206 -4.710 1.00 0.00 H new ATOM 0 HB VAL A 40 5.804 -7.866 -6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.762 -6.230 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.088 -5.820 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.435 -6.556 -4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.498 -8.585 -5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.208 -9.014 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.356 -9.893 -5.666 1.00 0.00 H new ATOM 575 N VAL A 41 2.295 -6.772 -6.108 1.00 0.00 N ATOM 576 CA VAL A 41 1.436 -5.895 -6.889 1.00 0.00 C ATOM 577 C VAL A 41 1.375 -4.511 -6.262 1.00 0.00 C ATOM 578 O VAL A 41 1.193 -4.375 -5.054 1.00 0.00 O ATOM 579 CB VAL A 41 -0.011 -6.423 -7.010 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.919 -5.384 -7.653 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.053 -7.716 -7.801 1.00 0.00 C ATOM 0 H VAL A 41 2.113 -6.756 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 41 1.878 -5.856 -7.885 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.375 -6.623 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.931 -5.781 -7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.927 -4.480 -7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.550 -5.146 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.083 -8.066 -7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.341 -7.543 -8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.553 -8.470 -7.298 1.00 0.00 H new ATOM 591 N GLY A 42 1.520 -3.487 -7.086 1.00 0.00 N ATOM 592 CA GLY A 42 1.464 -2.135 -6.578 1.00 0.00 C ATOM 593 C GLY A 42 2.544 -1.246 -7.148 1.00 0.00 C ATOM 594 O GLY A 42 3.517 -1.727 -7.731 1.00 0.00 O ATOM 0 H GLY A 42 1.674 -3.567 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.489 -1.706 -6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.554 -2.157 -5.492 1.00 0.00 H new ATOM 598 N ASP A 43 2.375 0.055 -6.971 1.00 0.00 N ATOM 599 CA ASP A 43 3.342 1.024 -7.460 1.00 0.00 C ATOM 600 C ASP A 43 3.498 2.171 -6.468 1.00 0.00 C ATOM 601 O ASP A 43 4.608 2.649 -6.229 1.00 0.00 O ATOM 602 CB ASP A 43 2.911 1.561 -8.827 1.00 0.00 C ATOM 603 CG ASP A 43 4.007 1.443 -9.867 1.00 0.00 C ATOM 604 OD1 ASP A 43 4.247 0.318 -10.352 1.00 0.00 O ATOM 605 OD2 ASP A 43 4.624 2.477 -10.198 1.00 0.00 O ATOM 0 H ASP A 43 1.574 0.465 -6.490 1.00 0.00 H new ATOM 0 HA ASP A 43 4.306 0.526 -7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.031 1.015 -9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.619 2.607 -8.728 1.00 0.00 H new ATOM 610 N ARG A 44 2.382 2.602 -5.889 1.00 0.00 N ATOM 611 CA ARG A 44 2.391 3.688 -4.914 1.00 0.00 C ATOM 612 C ARG A 44 3.243 3.312 -3.706 1.00 0.00 C ATOM 613 O ARG A 44 2.723 2.874 -2.679 1.00 0.00 O ATOM 614 CB ARG A 44 0.962 4.011 -4.468 1.00 0.00 C ATOM 615 CG ARG A 44 0.464 5.364 -4.954 1.00 0.00 C ATOM 616 CD ARG A 44 -0.785 5.231 -5.815 1.00 0.00 C ATOM 617 NE ARG A 44 -0.587 5.782 -7.154 1.00 0.00 N ATOM 618 CZ ARG A 44 -0.438 7.079 -7.404 1.00 0.00 C ATOM 619 NH1 ARG A 44 -0.471 7.963 -6.414 1.00 0.00 N ATOM 620 NH2 ARG A 44 -0.258 7.497 -8.651 1.00 0.00 N ATOM 0 H ARG A 44 1.457 2.215 -6.078 1.00 0.00 H new ATOM 0 HA ARG A 44 2.822 4.572 -5.384 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.291 3.233 -4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.915 3.986 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.248 6.001 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.250 5.856 -5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.062 4.180 -5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.616 5.744 -5.331 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.562 5.134 -7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.611 7.648 -5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.356 8.957 -6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.234 6.823 -9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.144 8.492 -8.844 1.00 0.00 H new ATOM 634 N VAL A 45 4.555 3.474 -3.839 1.00 0.00 N ATOM 635 CA VAL A 45 5.484 3.143 -2.765 1.00 0.00 C ATOM 636 C VAL A 45 5.057 3.775 -1.437 1.00 0.00 C ATOM 637 O VAL A 45 4.646 3.069 -0.517 1.00 0.00 O ATOM 638 CB VAL A 45 6.934 3.564 -3.118 1.00 0.00 C ATOM 639 CG1 VAL A 45 6.968 4.921 -3.812 1.00 0.00 C ATOM 640 CG2 VAL A 45 7.822 3.569 -1.878 1.00 0.00 C ATOM 0 H VAL A 45 5.000 3.834 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 45 5.461 2.059 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 45 7.327 2.824 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.000 5.185 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.389 4.873 -4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.540 5.677 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.833 3.868 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.423 4.273 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.846 2.570 -1.443 1.00 0.00 H new ATOM 650 N ILE A 46 5.156 5.099 -1.344 1.00 0.00 N ATOM 651 CA ILE A 46 4.782 5.813 -0.127 1.00 0.00 C ATOM 652 C ILE A 46 5.604 5.324 1.068 1.00 0.00 C ATOM 653 O ILE A 46 6.047 4.177 1.103 1.00 0.00 O ATOM 654 CB ILE A 46 3.265 5.673 0.168 1.00 0.00 C ATOM 655 CG1 ILE A 46 2.654 7.047 0.458 1.00 0.00 C ATOM 656 CG2 ILE A 46 2.999 4.716 1.326 1.00 0.00 C ATOM 657 CD1 ILE A 46 1.866 7.614 -0.702 1.00 0.00 C ATOM 0 H ILE A 46 5.492 5.699 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 46 4.999 6.869 -0.288 1.00 0.00 H new ATOM 0 HB ILE A 46 2.792 5.252 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.001 6.969 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.451 7.743 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.925 4.646 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.392 3.729 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.489 5.088 2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.462 8.588 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.520 7.724 -1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.047 6.939 -0.950 1.00 0.00 H new ATOM 669 N ASP A 47 5.805 6.204 2.044 1.00 0.00 N ATOM 670 CA ASP A 47 6.576 5.858 3.235 1.00 0.00 C ATOM 671 C ASP A 47 6.734 7.066 4.152 1.00 0.00 C ATOM 672 O ASP A 47 6.319 8.174 3.814 1.00 0.00 O ATOM 673 CB ASP A 47 7.953 5.319 2.843 1.00 0.00 C ATOM 674 CG ASP A 47 8.644 6.192 1.813 1.00 0.00 C ATOM 675 OD1 ASP A 47 9.281 7.188 2.210 1.00 0.00 O ATOM 676 OD2 ASP A 47 8.545 5.876 0.608 1.00 0.00 O ATOM 0 H ASP A 47 5.446 7.159 2.035 1.00 0.00 H new ATOM 0 HA ASP A 47 6.031 5.083 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.579 5.247 3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.846 4.309 2.446 1.00 0.00 H new ATOM 681 N VAL A 48 7.341 6.841 5.312 1.00 0.00 N ATOM 682 CA VAL A 48 7.560 7.910 6.279 1.00 0.00 C ATOM 683 C VAL A 48 9.010 7.929 6.753 1.00 0.00 C ATOM 684 O VAL A 48 9.672 8.965 6.713 1.00 0.00 O ATOM 685 CB VAL A 48 6.628 7.771 7.498 1.00 0.00 C ATOM 686 CG1 VAL A 48 5.218 8.220 7.145 1.00 0.00 C ATOM 687 CG2 VAL A 48 6.624 6.339 8.014 1.00 0.00 C ATOM 0 H VAL A 48 7.690 5.929 5.605 1.00 0.00 H new ATOM 0 HA VAL A 48 7.334 8.848 5.772 1.00 0.00 H new ATOM 0 HB VAL A 48 7.005 8.416 8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.573 8.115 8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.236 9.264 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.832 7.604 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.959 6.264 8.875 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.276 5.670 7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.634 6.056 8.310 1.00 0.00 H new ATOM 697 N GLY A 49 9.497 6.772 7.198 1.00 0.00 N ATOM 698 CA GLY A 49 10.869 6.668 7.673 1.00 0.00 C ATOM 699 C GLY A 49 11.270 7.814 8.584 1.00 0.00 C ATOM 700 O GLY A 49 12.253 8.508 8.322 1.00 0.00 O ATOM 0 H GLY A 49 8.965 5.903 7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.992 5.726 8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.543 6.639 6.817 1.00 0.00 H new ATOM 704 N SER A 50 10.511 8.012 9.656 1.00 0.00 N ATOM 705 CA SER A 50 10.797 9.081 10.605 1.00 0.00 C ATOM 706 C SER A 50 9.827 9.046 11.782 1.00 0.00 C ATOM 707 O SER A 50 8.715 9.568 11.698 1.00 0.00 O ATOM 708 CB SER A 50 10.721 10.442 9.908 1.00 0.00 C ATOM 709 OG SER A 50 11.101 11.487 10.785 1.00 0.00 O ATOM 0 H SER A 50 9.694 7.447 9.889 1.00 0.00 H new ATOM 0 HA SER A 50 11.806 8.929 10.988 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.372 10.443 9.033 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.706 10.615 9.550 1.00 0.00 H new ATOM 0 HG SER A 50 11.045 12.345 10.315 1.00 0.00 H new ATOM 715 N GLU A 51 10.258 8.431 12.879 1.00 0.00 N ATOM 716 CA GLU A 51 9.426 8.332 14.073 1.00 0.00 C ATOM 717 C GLU A 51 10.243 8.579 15.343 1.00 0.00 C ATOM 718 O GLU A 51 9.769 8.330 16.450 1.00 0.00 O ATOM 719 CB GLU A 51 8.758 6.956 14.139 1.00 0.00 C ATOM 720 CG GLU A 51 7.240 7.020 14.198 1.00 0.00 C ATOM 721 CD GLU A 51 6.711 7.008 15.617 1.00 0.00 C ATOM 722 OE1 GLU A 51 7.127 6.128 16.399 1.00 0.00 O ATOM 723 OE2 GLU A 51 5.878 7.878 15.948 1.00 0.00 O ATOM 0 H GLU A 51 11.176 7.995 12.966 1.00 0.00 H new ATOM 0 HA GLU A 51 8.657 9.102 14.010 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.055 6.374 13.266 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.126 6.424 15.017 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.898 7.924 13.695 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.823 6.174 13.652 1.00 0.00 H new ATOM 730 N TRP A 52 11.471 9.068 15.178 1.00 0.00 N ATOM 731 CA TRP A 52 12.347 9.347 16.312 1.00 0.00 C ATOM 732 C TRP A 52 12.645 8.075 17.101 1.00 0.00 C ATOM 733 O TRP A 52 13.699 7.461 16.933 1.00 0.00 O ATOM 734 CB TRP A 52 11.714 10.399 17.226 1.00 0.00 C ATOM 735 CG TRP A 52 12.008 11.811 16.810 1.00 0.00 C ATOM 736 CD1 TRP A 52 12.967 12.227 15.930 1.00 0.00 C ATOM 737 CD2 TRP A 52 11.336 12.993 17.259 1.00 0.00 C ATOM 738 NE1 TRP A 52 12.932 13.595 15.806 1.00 0.00 N ATOM 739 CE2 TRP A 52 11.939 14.088 16.612 1.00 0.00 C ATOM 740 CE3 TRP A 52 10.282 13.233 18.145 1.00 0.00 C ATOM 741 CZ2 TRP A 52 11.523 15.401 16.824 1.00 0.00 C ATOM 742 CZ3 TRP A 52 9.871 14.535 18.354 1.00 0.00 C ATOM 743 CH2 TRP A 52 10.489 15.605 17.696 1.00 0.00 C ATOM 0 H TRP A 52 11.881 9.279 14.268 1.00 0.00 H new ATOM 0 HA TRP A 52 13.289 9.735 15.924 1.00 0.00 H new ATOM 0 HB2 TRP A 52 10.634 10.251 17.243 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.072 10.247 18.244 1.00 0.00 H new ATOM 0 HD1 TRP A 52 13.652 11.576 15.408 1.00 0.00 H new ATOM 0 HE1 TRP A 52 13.545 14.153 15.211 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.797 12.415 18.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.000 16.228 16.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.058 14.731 19.037 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.143 16.611 17.880 1.00 0.00 H new ATOM 754 N ARG A 53 11.711 7.680 17.963 1.00 0.00 N ATOM 755 CA ARG A 53 11.874 6.479 18.776 1.00 0.00 C ATOM 756 C ARG A 53 13.011 6.649 19.779 1.00 0.00 C ATOM 757 O ARG A 53 14.054 7.221 19.460 1.00 0.00 O ATOM 758 CB ARG A 53 12.140 5.262 17.887 1.00 0.00 C ATOM 759 CG ARG A 53 11.471 3.990 18.380 1.00 0.00 C ATOM 760 CD ARG A 53 12.446 3.104 19.138 1.00 0.00 C ATOM 761 NE ARG A 53 12.025 1.706 19.143 1.00 0.00 N ATOM 762 CZ ARG A 53 12.809 0.695 19.517 1.00 0.00 C ATOM 763 NH1 ARG A 53 14.054 0.926 19.915 1.00 0.00 N ATOM 764 NH2 ARG A 53 12.346 -0.546 19.492 1.00 0.00 N ATOM 0 H ARG A 53 10.833 8.175 18.116 1.00 0.00 H new ATOM 0 HA ARG A 53 10.947 6.319 19.327 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.792 5.478 16.877 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.216 5.096 17.825 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.632 4.246 19.027 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.063 3.441 17.532 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.435 3.183 18.686 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.536 3.459 20.165 1.00 0.00 H new ATOM 0 HE ARG A 53 11.074 1.490 18.842 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.414 1.880 19.935 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.651 0.149 20.200 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.390 -0.728 19.187 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.946 -1.320 19.778 1.00 0.00 H new ATOM 778 N THR A 54 12.802 6.148 20.992 1.00 0.00 N ATOM 779 CA THR A 54 13.807 6.241 22.045 1.00 0.00 C ATOM 780 C THR A 54 13.523 5.234 23.155 1.00 0.00 C ATOM 781 O THR A 54 12.424 4.686 23.242 1.00 0.00 O ATOM 782 CB THR A 54 13.841 7.657 22.623 1.00 0.00 C ATOM 783 OG1 THR A 54 13.888 8.621 21.585 1.00 0.00 O ATOM 784 CG2 THR A 54 15.026 7.904 23.530 1.00 0.00 C ATOM 0 H THR A 54 11.944 5.672 21.271 1.00 0.00 H new ATOM 0 HA THR A 54 14.779 6.011 21.608 1.00 0.00 H new ATOM 0 HB THR A 54 12.927 7.752 23.210 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.325 8.233 20.798 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.990 8.927 23.906 1.00 0.00 H new ATOM 0 HG22 THR A 54 14.994 7.208 24.368 1.00 0.00 H new ATOM 0 HG23 THR A 54 15.950 7.756 22.970 1.00 0.00 H new ATOM 792 N PHE A 55 14.521 4.992 23.999 1.00 0.00 N ATOM 793 CA PHE A 55 14.375 4.049 25.101 1.00 0.00 C ATOM 794 C PHE A 55 15.062 4.568 26.361 1.00 0.00 C ATOM 795 O PHE A 55 16.289 4.625 26.432 1.00 0.00 O ATOM 796 CB PHE A 55 14.955 2.687 24.716 1.00 0.00 C ATOM 797 CG PHE A 55 16.338 2.766 24.132 1.00 0.00 C ATOM 798 CD1 PHE A 55 16.519 3.001 22.779 1.00 0.00 C ATOM 799 CD2 PHE A 55 17.453 2.608 24.937 1.00 0.00 C ATOM 800 CE1 PHE A 55 17.789 3.074 22.239 1.00 0.00 C ATOM 801 CE2 PHE A 55 18.726 2.680 24.403 1.00 0.00 C ATOM 802 CZ PHE A 55 18.894 2.914 23.052 1.00 0.00 C ATOM 0 H PHE A 55 15.438 5.435 23.941 1.00 0.00 H new ATOM 0 HA PHE A 55 13.311 3.938 25.309 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.978 2.048 25.599 1.00 0.00 H new ATOM 0 HB3 PHE A 55 14.292 2.210 23.995 1.00 0.00 H new ATOM 0 HD1 PHE A 55 15.658 3.129 22.139 1.00 0.00 H new ATOM 0 HD2 PHE A 55 17.327 2.426 25.994 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.917 3.256 21.182 1.00 0.00 H new ATOM 0 HE2 PHE A 55 19.588 2.553 25.041 1.00 0.00 H new ATOM 0 HZ PHE A 55 19.887 2.972 22.632 1.00 0.00 H new ATOM 812 N SER A 56 14.260 4.944 27.352 1.00 0.00 N ATOM 813 CA SER A 56 14.788 5.457 28.612 1.00 0.00 C ATOM 814 C SER A 56 15.658 6.689 28.380 1.00 0.00 C ATOM 815 O SER A 56 15.928 7.065 27.239 1.00 0.00 O ATOM 816 CB SER A 56 15.600 4.375 29.326 1.00 0.00 C ATOM 817 OG SER A 56 14.821 3.212 29.545 1.00 0.00 O ATOM 0 H SER A 56 13.242 4.903 27.307 1.00 0.00 H new ATOM 0 HA SER A 56 13.944 5.744 29.239 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.477 4.122 28.730 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.962 4.758 30.280 1.00 0.00 H new ATOM 0 HG SER A 56 15.364 2.536 30.001 1.00 0.00 H new ATOM 823 N ASN A 57 16.090 7.315 29.470 1.00 0.00 N ATOM 824 CA ASN A 57 16.928 8.505 29.388 1.00 0.00 C ATOM 825 C ASN A 57 17.568 8.811 30.738 1.00 0.00 C ATOM 826 O ASN A 57 17.410 8.055 31.697 1.00 0.00 O ATOM 827 CB ASN A 57 16.104 9.703 28.916 1.00 0.00 C ATOM 828 CG ASN A 57 16.168 9.894 27.413 1.00 0.00 C ATOM 829 OD1 ASN A 57 17.043 9.345 26.743 1.00 0.00 O ATOM 830 ND2 ASN A 57 15.239 10.676 26.874 1.00 0.00 N ATOM 0 H ASN A 57 15.873 7.017 30.421 1.00 0.00 H new ATOM 0 HA ASN A 57 17.721 8.313 28.665 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.066 9.568 29.218 1.00 0.00 H new ATOM 0 HB3 ASN A 57 16.465 10.605 29.410 1.00 0.00 H new ATOM 0 HD21 ASN A 57 15.233 10.841 25.867 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.532 11.111 27.467 1.00 0.00 H new ATOM 837 N ASP A 58 18.290 9.925 30.807 1.00 0.00 N ATOM 838 CA ASP A 58 18.953 10.329 32.041 1.00 0.00 C ATOM 839 C ASP A 58 18.254 11.533 32.666 1.00 0.00 C ATOM 840 O ASP A 58 18.126 11.624 33.887 1.00 0.00 O ATOM 841 CB ASP A 58 20.421 10.664 31.770 1.00 0.00 C ATOM 842 CG ASP A 58 21.304 10.409 32.976 1.00 0.00 C ATOM 843 OD1 ASP A 58 21.481 9.228 33.342 1.00 0.00 O ATOM 844 OD2 ASP A 58 21.818 11.390 33.553 1.00 0.00 O ATOM 0 H ASP A 58 18.431 10.563 30.024 1.00 0.00 H new ATOM 0 HA ASP A 58 18.900 9.495 32.741 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.778 10.069 30.930 1.00 0.00 H new ATOM 0 HB3 ASP A 58 20.504 11.711 31.477 1.00 0.00 H new ATOM 849 N LYS A 59 17.801 12.452 31.819 1.00 0.00 N ATOM 850 CA LYS A 59 17.113 13.650 32.290 1.00 0.00 C ATOM 851 C LYS A 59 15.848 13.283 33.058 1.00 0.00 C ATOM 852 O LYS A 59 15.178 12.307 32.663 1.00 0.00 O ATOM 853 CB LYS A 59 16.762 14.557 31.108 1.00 0.00 C ATOM 854 CG LYS A 59 17.836 15.586 30.791 1.00 0.00 C ATOM 855 CD LYS A 59 17.851 15.938 29.313 1.00 0.00 C ATOM 856 CE LYS A 59 18.960 15.204 28.574 1.00 0.00 C ATOM 857 NZ LYS A 59 18.432 14.402 27.436 1.00 0.00 N ATOM 0 H LYS A 59 17.897 12.391 30.805 1.00 0.00 H new ATOM 0 HA LYS A 59 17.783 14.184 32.964 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.590 13.940 30.226 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.827 15.074 31.323 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.663 16.487 31.379 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.811 15.197 31.083 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.888 15.686 28.869 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.985 17.013 29.196 1.00 0.00 H new ATOM 0 HE2 LYS A 59 19.688 15.925 28.203 1.00 0.00 H new ATOM 0 HE3 LYS A 59 19.486 14.548 29.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.219 13.917 26.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.756 13.697 27.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.952 15.031 26.761 1.00 0.00 H new TER 871 LYS A 59