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 Set 1.1: A 57 ASN : amide:sc= -0.208 K(o=-0.22,f=-0.93) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -157:sc=-0.00835 (180deg=0) 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= -0.366 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -45.2! C(o=-45!,f=-46!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -160:sc= -0.0247 (180deg=-0.523) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -32.399 -3.022 -0.642 1.00 0.00 N ATOM 2 CA ALA A 2 -32.029 -1.584 -0.570 1.00 0.00 C ATOM 3 C ALA A 2 -31.634 -1.051 -1.943 1.00 0.00 C ATOM 4 O ALA A 2 -31.526 -1.807 -2.907 1.00 0.00 O ATOM 5 CB ALA A 2 -30.893 -1.383 0.421 1.00 0.00 C ATOM 0 HA ALA A 2 -32.900 -1.025 -0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -30.631 -0.326 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -31.208 -1.720 1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -30.025 -1.959 0.101 1.00 0.00 H new ATOM 10 N SER A 3 -31.421 0.258 -2.023 1.00 0.00 N ATOM 11 CA SER A 3 -31.036 0.896 -3.278 1.00 0.00 C ATOM 12 C SER A 3 -29.728 1.674 -3.130 1.00 0.00 C ATOM 13 O SER A 3 -29.267 2.309 -4.078 1.00 0.00 O ATOM 14 CB SER A 3 -32.146 1.833 -3.756 1.00 0.00 C ATOM 15 OG SER A 3 -33.348 1.122 -3.994 1.00 0.00 O ATOM 0 H SER A 3 -31.508 0.899 -1.234 1.00 0.00 H new ATOM 0 HA SER A 3 -30.882 0.110 -4.017 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.320 2.607 -3.008 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.832 2.338 -4.670 1.00 0.00 H new ATOM 0 HG SER A 3 -34.042 1.744 -4.297 1.00 0.00 H new ATOM 21 N THR A 4 -29.133 1.622 -1.940 1.00 0.00 N ATOM 22 CA THR A 4 -27.881 2.325 -1.682 1.00 0.00 C ATOM 23 C THR A 4 -26.806 1.374 -1.154 1.00 0.00 C ATOM 24 O THR A 4 -25.701 1.802 -0.819 1.00 0.00 O ATOM 25 CB THR A 4 -28.107 3.458 -0.681 1.00 0.00 C ATOM 26 OG1 THR A 4 -28.670 2.960 0.520 1.00 0.00 O ATOM 27 CG2 THR A 4 -29.024 4.543 -1.202 1.00 0.00 C ATOM 0 H THR A 4 -29.497 1.102 -1.142 1.00 0.00 H new ATOM 0 HA THR A 4 -27.533 2.741 -2.627 1.00 0.00 H new ATOM 0 HB THR A 4 -27.122 3.891 -0.507 1.00 0.00 H new ATOM 0 HG1 THR A 4 -28.806 3.699 1.149 1.00 0.00 H new ATOM 0 HG21 THR A 4 -29.142 5.316 -0.442 1.00 0.00 H new ATOM 0 HG22 THR A 4 -28.594 4.982 -2.102 1.00 0.00 H new ATOM 0 HG23 THR A 4 -29.998 4.114 -1.437 1.00 0.00 H new ATOM 35 N SER A 5 -27.132 0.086 -1.081 1.00 0.00 N ATOM 36 CA SER A 5 -26.188 -0.914 -0.595 1.00 0.00 C ATOM 37 C SER A 5 -25.713 -1.813 -1.732 1.00 0.00 C ATOM 38 O SER A 5 -26.391 -1.951 -2.750 1.00 0.00 O ATOM 39 CB SER A 5 -26.830 -1.759 0.507 1.00 0.00 C ATOM 40 OG SER A 5 -25.885 -2.097 1.507 1.00 0.00 O ATOM 0 H SER A 5 -28.041 -0.288 -1.352 1.00 0.00 H new ATOM 0 HA SER A 5 -25.323 -0.392 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.658 -1.209 0.955 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.248 -2.668 0.075 1.00 0.00 H new ATOM 0 HG SER A 5 -26.321 -2.635 2.200 1.00 0.00 H new ATOM 46 N ARG A 6 -24.546 -2.422 -1.551 1.00 0.00 N ATOM 47 CA ARG A 6 -23.981 -3.306 -2.563 1.00 0.00 C ATOM 48 C ARG A 6 -23.464 -4.596 -1.932 1.00 0.00 C ATOM 49 O ARG A 6 -23.991 -5.678 -2.190 1.00 0.00 O ATOM 50 CB ARG A 6 -22.850 -2.602 -3.312 1.00 0.00 C ATOM 51 CG ARG A 6 -23.200 -1.189 -3.753 1.00 0.00 C ATOM 52 CD ARG A 6 -22.786 -0.933 -5.193 1.00 0.00 C ATOM 53 NE ARG A 6 -23.873 -1.203 -6.131 1.00 0.00 N ATOM 54 CZ ARG A 6 -24.881 -0.363 -6.359 1.00 0.00 C ATOM 55 NH1 ARG A 6 -24.944 0.798 -5.720 1.00 0.00 N ATOM 56 NH2 ARG A 6 -25.828 -0.687 -7.229 1.00 0.00 N ATOM 0 H ARG A 6 -23.973 -2.319 -0.713 1.00 0.00 H new ATOM 0 HA ARG A 6 -24.771 -3.560 -3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -21.968 -2.566 -2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -22.583 -3.192 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -24.273 -1.030 -3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -22.706 -0.470 -3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -22.465 0.103 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -21.929 -1.560 -5.441 1.00 0.00 H new ATOM 0 HE ARG A 6 -23.859 -2.086 -6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -24.218 1.051 -5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -25.718 1.437 -5.899 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -25.784 -1.579 -7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -26.601 -0.045 -7.405 1.00 0.00 H new ATOM 70 N LEU A 7 -22.432 -4.472 -1.106 1.00 0.00 N ATOM 71 CA LEU A 7 -21.844 -5.629 -0.439 1.00 0.00 C ATOM 72 C LEU A 7 -20.943 -5.194 0.714 1.00 0.00 C ATOM 73 O LEU A 7 -19.809 -5.658 0.840 1.00 0.00 O ATOM 74 CB LEU A 7 -21.049 -6.474 -1.439 1.00 0.00 C ATOM 75 CG LEU A 7 -20.321 -5.684 -2.528 1.00 0.00 C ATOM 76 CD1 LEU A 7 -19.430 -4.618 -1.911 1.00 0.00 C ATOM 77 CD2 LEU A 7 -19.505 -6.620 -3.407 1.00 0.00 C ATOM 0 H LEU A 7 -21.985 -3.583 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 7 -22.655 -6.233 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.316 -7.064 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.730 -7.178 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 7 -21.066 -5.188 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.921 -4.067 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.039 -3.930 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.691 -5.091 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.993 -6.042 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -18.769 -7.143 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -20.167 -7.346 -3.878 1.00 0.00 H new ATOM 89 N ASP A 8 -21.456 -4.301 1.555 1.00 0.00 N ATOM 90 CA ASP A 8 -20.703 -3.801 2.701 1.00 0.00 C ATOM 91 C ASP A 8 -19.521 -2.947 2.250 1.00 0.00 C ATOM 92 O ASP A 8 -19.537 -1.723 2.395 1.00 0.00 O ATOM 93 CB ASP A 8 -20.211 -4.964 3.570 1.00 0.00 C ATOM 94 CG ASP A 8 -20.492 -4.744 5.044 1.00 0.00 C ATOM 95 OD1 ASP A 8 -21.472 -4.038 5.362 1.00 0.00 O ATOM 96 OD2 ASP A 8 -19.733 -5.278 5.879 1.00 0.00 O ATOM 0 H ASP A 8 -22.393 -3.908 1.464 1.00 0.00 H new ATOM 0 HA ASP A 8 -21.371 -3.176 3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -20.693 -5.886 3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.139 -5.096 3.423 1.00 0.00 H new ATOM 101 N ALA A 9 -18.497 -3.595 1.705 1.00 0.00 N ATOM 102 CA ALA A 9 -17.309 -2.891 1.235 1.00 0.00 C ATOM 103 C ALA A 9 -16.914 -3.350 -0.165 1.00 0.00 C ATOM 104 O ALA A 9 -16.823 -4.547 -0.434 1.00 0.00 O ATOM 105 CB ALA A 9 -16.154 -3.099 2.204 1.00 0.00 C ATOM 0 H ALA A 9 -18.466 -4.607 1.578 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.544 -1.828 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.274 -2.568 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.430 -2.715 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.930 -4.163 2.280 1.00 0.00 H new ATOM 111 N LEU A 10 -16.679 -2.388 -1.051 1.00 0.00 N ATOM 112 CA LEU A 10 -16.292 -2.694 -2.426 1.00 0.00 C ATOM 113 C LEU A 10 -14.801 -3.020 -2.518 1.00 0.00 C ATOM 114 O LEU A 10 -14.420 -4.044 -3.084 1.00 0.00 O ATOM 115 CB LEU A 10 -16.627 -1.525 -3.362 1.00 0.00 C ATOM 116 CG LEU A 10 -17.766 -0.611 -2.899 1.00 0.00 C ATOM 117 CD1 LEU A 10 -18.026 0.477 -3.929 1.00 0.00 C ATOM 118 CD2 LEU A 10 -19.029 -1.420 -2.644 1.00 0.00 C ATOM 0 H LEU A 10 -16.749 -1.392 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.860 -3.570 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.730 -0.920 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -16.885 -1.929 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 10 -17.469 -0.136 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -18.838 1.117 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.124 1.075 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.302 0.020 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -19.827 -0.754 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -19.331 -1.923 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -18.835 -2.163 -1.870 1.00 0.00 H new ATOM 130 N PRO A 11 -13.933 -2.152 -1.963 1.00 0.00 N ATOM 131 CA PRO A 11 -12.486 -2.362 -1.994 1.00 0.00 C ATOM 132 C PRO A 11 -12.015 -3.327 -0.911 1.00 0.00 C ATOM 133 O PRO A 11 -12.717 -3.565 0.072 1.00 0.00 O ATOM 134 CB PRO A 11 -11.935 -0.962 -1.741 1.00 0.00 C ATOM 135 CG PRO A 11 -12.958 -0.306 -0.878 1.00 0.00 C ATOM 136 CD PRO A 11 -14.291 -0.900 -1.266 1.00 0.00 C ATOM 0 HA PRO A 11 -12.153 -2.809 -2.930 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.965 -1.001 -1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.795 -0.416 -2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.747 -0.483 0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.956 0.774 -1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.912 -1.093 -0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.854 -0.229 -1.914 1.00 0.00 H new ATOM 144 N ARG A 12 -10.822 -3.884 -1.100 1.00 0.00 N ATOM 145 CA ARG A 12 -10.258 -4.826 -0.140 1.00 0.00 C ATOM 146 C ARG A 12 -8.837 -4.426 0.243 1.00 0.00 C ATOM 147 O ARG A 12 -8.323 -3.406 -0.215 1.00 0.00 O ATOM 148 CB ARG A 12 -10.262 -6.242 -0.722 1.00 0.00 C ATOM 149 CG ARG A 12 -11.584 -6.633 -1.364 1.00 0.00 C ATOM 150 CD ARG A 12 -11.372 -7.329 -2.699 1.00 0.00 C ATOM 151 NE ARG A 12 -11.549 -6.417 -3.827 1.00 0.00 N ATOM 152 CZ ARG A 12 -12.736 -6.048 -4.304 1.00 0.00 C ATOM 153 NH1 ARG A 12 -13.852 -6.511 -3.755 1.00 0.00 N ATOM 154 NH2 ARG A 12 -12.806 -5.215 -5.332 1.00 0.00 N ATOM 0 H ARG A 12 -10.228 -3.699 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.876 -4.807 0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.469 -6.322 -1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.029 -6.952 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.135 -7.292 -0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.196 -5.743 -1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.369 -7.754 -2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.073 -8.159 -2.790 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.714 -6.041 -4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.803 -7.153 -2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.759 -6.225 -4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.951 -4.857 -5.757 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.715 -4.932 -5.698 1.00 0.00 H new ATOM 168 N VAL A 13 -8.207 -5.239 1.084 1.00 0.00 N ATOM 169 CA VAL A 13 -6.844 -4.973 1.529 1.00 0.00 C ATOM 170 C VAL A 13 -6.190 -6.242 2.074 1.00 0.00 C ATOM 171 O VAL A 13 -6.148 -6.464 3.284 1.00 0.00 O ATOM 172 CB VAL A 13 -6.813 -3.867 2.605 1.00 0.00 C ATOM 173 CG1 VAL A 13 -7.653 -4.261 3.811 1.00 0.00 C ATOM 174 CG2 VAL A 13 -5.380 -3.557 3.014 1.00 0.00 C ATOM 0 H VAL A 13 -8.619 -6.088 1.471 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.280 -4.630 0.662 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.246 -2.962 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.616 -3.466 4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.686 -4.418 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.260 -5.181 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.379 -2.775 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.915 -4.456 3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.818 -3.218 2.143 1.00 0.00 H new ATOM 184 N THR A 14 -5.678 -7.071 1.168 1.00 0.00 N ATOM 185 CA THR A 14 -5.023 -8.320 1.546 1.00 0.00 C ATOM 186 C THR A 14 -4.382 -8.976 0.333 1.00 0.00 C ATOM 187 O THR A 14 -4.473 -8.461 -0.782 1.00 0.00 O ATOM 188 CB THR A 14 -6.027 -9.279 2.189 1.00 0.00 C ATOM 189 OG1 THR A 14 -7.355 -8.827 1.992 1.00 0.00 O ATOM 190 CG2 THR A 14 -5.819 -9.454 3.675 1.00 0.00 C ATOM 0 H THR A 14 -5.704 -6.899 0.163 1.00 0.00 H new ATOM 0 HA THR A 14 -4.243 -8.089 2.272 1.00 0.00 H new ATOM 0 HB THR A 14 -5.861 -10.238 1.699 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.980 -9.456 2.410 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.564 -10.146 4.068 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.821 -9.853 3.858 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.922 -8.490 4.173 1.00 0.00 H new ATOM 198 N CYS A 15 -3.708 -10.098 0.558 1.00 0.00 N ATOM 199 CA CYS A 15 -3.026 -10.794 -0.521 1.00 0.00 C ATOM 200 C CYS A 15 -3.957 -11.666 -1.355 1.00 0.00 C ATOM 201 O CYS A 15 -4.755 -12.435 -0.820 1.00 0.00 O ATOM 202 CB CYS A 15 -1.882 -11.638 0.018 1.00 0.00 C ATOM 203 SG CYS A 15 -0.391 -11.513 -1.012 1.00 0.00 S ATOM 0 H CYS A 15 -3.621 -10.541 1.473 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.634 -10.018 -1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.647 -11.321 1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.197 -12.680 0.074 1.00 0.00 H new ATOM 208 N PRO A 16 -3.838 -11.572 -2.698 1.00 0.00 N ATOM 209 CA PRO A 16 -4.644 -12.374 -3.620 1.00 0.00 C ATOM 210 C PRO A 16 -4.263 -13.848 -3.552 1.00 0.00 C ATOM 211 O PRO A 16 -4.944 -14.701 -4.121 1.00 0.00 O ATOM 212 CB PRO A 16 -4.307 -11.794 -4.994 1.00 0.00 C ATOM 213 CG PRO A 16 -2.947 -11.214 -4.831 1.00 0.00 C ATOM 214 CD PRO A 16 -2.888 -10.700 -3.419 1.00 0.00 C ATOM 0 HA PRO A 16 -5.708 -12.332 -3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.320 -12.565 -5.764 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.029 -11.034 -5.292 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.178 -11.966 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.776 -10.410 -5.547 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.882 -10.774 -3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.181 -9.652 -3.360 1.00 0.00 H new ATOM 222 N ASN A 17 -3.190 -14.145 -2.818 1.00 0.00 N ATOM 223 CA ASN A 17 -2.735 -15.514 -2.628 1.00 0.00 C ATOM 224 C ASN A 17 -2.865 -15.882 -1.152 1.00 0.00 C ATOM 225 O ASN A 17 -2.987 -17.053 -0.796 1.00 0.00 O ATOM 226 CB ASN A 17 -1.285 -15.672 -3.094 1.00 0.00 C ATOM 227 CG ASN A 17 -1.089 -16.897 -3.966 1.00 0.00 C ATOM 228 OD1 ASN A 17 -0.956 -16.790 -5.185 1.00 0.00 O ATOM 229 ND2 ASN A 17 -1.069 -18.069 -3.343 1.00 0.00 N ATOM 0 H ASN A 17 -2.619 -13.446 -2.344 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.352 -16.185 -3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.985 -14.783 -3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.632 -15.740 -2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.939 -18.928 -3.877 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.183 -18.110 -2.330 1.00 0.00 H new ATOM 236 N HIS A 18 -2.943 -14.867 -0.304 1.00 0.00 N ATOM 237 CA HIS A 18 -3.159 -15.081 1.110 1.00 0.00 C ATOM 238 C HIS A 18 -4.129 -14.051 1.633 1.00 0.00 C ATOM 239 O HIS A 18 -3.736 -13.008 2.154 1.00 0.00 O ATOM 240 CB HIS A 18 -1.895 -15.060 1.955 1.00 0.00 C ATOM 241 CG HIS A 18 -0.710 -14.470 1.325 1.00 0.00 C ATOM 242 ND1 HIS A 18 -0.400 -14.641 0.021 1.00 0.00 N ATOM 243 CD2 HIS A 18 0.188 -13.639 1.877 1.00 0.00 C ATOM 244 CE1 HIS A 18 0.665 -13.918 -0.208 1.00 0.00 C ATOM 245 NE2 HIS A 18 1.067 -13.294 0.897 1.00 0.00 N ATOM 0 H HIS A 18 -2.859 -13.888 -0.576 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.562 -16.090 1.200 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.105 -14.511 2.873 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.657 -16.084 2.243 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.209 -13.307 2.904 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.154 -13.838 -1.167 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.875 -12.678 0.991 1.00 0.00 H new ATOM 253 N PRO A 19 -5.428 -14.368 1.537 1.00 0.00 N ATOM 254 CA PRO A 19 -6.503 -13.511 2.036 1.00 0.00 C ATOM 255 C PRO A 19 -6.551 -13.561 3.550 1.00 0.00 C ATOM 256 O PRO A 19 -7.619 -13.585 4.163 1.00 0.00 O ATOM 257 CB PRO A 19 -7.752 -14.153 1.444 1.00 0.00 C ATOM 258 CG PRO A 19 -7.392 -15.594 1.366 1.00 0.00 C ATOM 259 CD PRO A 19 -5.950 -15.621 0.966 1.00 0.00 C ATOM 0 HA PRO A 19 -6.386 -12.462 1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.626 -13.990 2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.988 -13.744 0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.543 -16.089 2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.012 -16.115 0.637 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.435 -16.494 1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.831 -15.652 -0.117 1.00 0.00 H new ATOM 267 N ASP A 20 -5.367 -13.574 4.131 1.00 0.00 N ATOM 268 CA ASP A 20 -5.195 -13.618 5.559 1.00 0.00 C ATOM 269 C ASP A 20 -3.940 -12.836 5.913 1.00 0.00 C ATOM 270 O ASP A 20 -3.967 -11.933 6.749 1.00 0.00 O ATOM 271 CB ASP A 20 -5.081 -15.064 6.048 1.00 0.00 C ATOM 272 CG ASP A 20 -6.295 -15.499 6.842 1.00 0.00 C ATOM 273 OD1 ASP A 20 -6.554 -14.899 7.906 1.00 0.00 O ATOM 274 OD2 ASP A 20 -6.988 -16.439 6.400 1.00 0.00 O ATOM 0 H ASP A 20 -4.489 -13.554 3.612 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.062 -13.174 6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.953 -15.726 5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.189 -15.167 6.666 1.00 0.00 H new ATOM 279 N ALA A 21 -2.840 -13.189 5.255 1.00 0.00 N ATOM 280 CA ALA A 21 -1.571 -12.509 5.485 1.00 0.00 C ATOM 281 C ALA A 21 -1.588 -11.138 4.820 1.00 0.00 C ATOM 282 O ALA A 21 -1.351 -11.005 3.616 1.00 0.00 O ATOM 283 CB ALA A 21 -0.407 -13.351 4.996 1.00 0.00 C ATOM 0 H ALA A 21 -2.802 -13.937 4.563 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.437 -12.367 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.528 -12.821 5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.396 -14.301 5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.516 -13.536 3.927 1.00 0.00 H new ATOM 289 N ILE A 22 -1.934 -10.144 5.633 1.00 0.00 N ATOM 290 CA ILE A 22 -2.060 -8.755 5.188 1.00 0.00 C ATOM 291 C ILE A 22 -0.723 -8.139 4.781 1.00 0.00 C ATOM 292 O ILE A 22 0.052 -7.718 5.641 1.00 0.00 O ATOM 293 CB ILE A 22 -2.682 -7.847 6.277 1.00 0.00 C ATOM 294 CG1 ILE A 22 -3.650 -8.623 7.175 1.00 0.00 C ATOM 295 CG2 ILE A 22 -3.394 -6.671 5.631 1.00 0.00 C ATOM 296 CD1 ILE A 22 -4.693 -9.408 6.411 1.00 0.00 C ATOM 0 H ILE A 22 -2.136 -10.277 6.624 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.716 -8.803 4.319 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.872 -7.477 6.906 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.080 -9.308 7.802 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.152 -7.923 7.843 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.828 -6.038 6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.681 -6.091 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.185 -7.039 4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.342 -9.931 7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.290 -8.726 5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.200 -10.133 5.763 1.00 0.00 H new ATOM 308 N LEU A 23 -0.466 -8.065 3.469 1.00 0.00 N ATOM 309 CA LEU A 23 0.766 -7.467 2.949 1.00 0.00 C ATOM 310 C LEU A 23 1.230 -6.307 3.822 1.00 0.00 C ATOM 311 O LEU A 23 0.427 -5.491 4.252 1.00 0.00 O ATOM 312 CB LEU A 23 0.535 -6.915 1.545 1.00 0.00 C ATOM 313 CG LEU A 23 0.687 -7.911 0.404 1.00 0.00 C ATOM 314 CD1 LEU A 23 -0.678 -8.312 -0.133 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.548 -7.308 -0.691 1.00 0.00 C ATOM 0 H LEU A 23 -1.098 -8.413 2.748 1.00 0.00 H new ATOM 0 HA LEU A 23 1.522 -8.252 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.469 -6.494 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.232 -6.094 1.380 1.00 0.00 H new ATOM 0 HG LEU A 23 1.178 -8.811 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.553 -9.025 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.262 -8.772 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.199 -7.428 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.654 -8.024 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.077 -6.399 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.532 -7.067 -0.289 1.00 0.00 H new ATOM 327 N VAL A 24 2.515 -6.201 4.072 1.00 0.00 N ATOM 328 CA VAL A 24 2.998 -5.098 4.869 1.00 0.00 C ATOM 329 C VAL A 24 3.534 -4.022 3.995 1.00 0.00 C ATOM 330 O VAL A 24 4.228 -4.281 3.015 1.00 0.00 O ATOM 331 CB VAL A 24 4.073 -5.508 5.847 1.00 0.00 C ATOM 332 CG1 VAL A 24 4.349 -4.386 6.835 1.00 0.00 C ATOM 333 CG2 VAL A 24 3.622 -6.768 6.546 1.00 0.00 C ATOM 0 H VAL A 24 3.231 -6.849 3.743 1.00 0.00 H new ATOM 0 HA VAL A 24 2.142 -4.737 5.440 1.00 0.00 H new ATOM 0 HB VAL A 24 5.008 -5.705 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.126 -4.698 7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.681 -3.499 6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.438 -4.155 7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.385 -7.082 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.689 -6.576 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.466 -7.557 5.810 1.00 0.00 H new ATOM 343 N GLU A 25 3.207 -2.816 4.357 1.00 0.00 N ATOM 344 CA GLU A 25 3.650 -1.680 3.607 1.00 0.00 C ATOM 345 C GLU A 25 5.154 -1.549 3.696 1.00 0.00 C ATOM 346 O GLU A 25 5.658 -0.778 4.484 1.00 0.00 O ATOM 347 CB GLU A 25 2.972 -0.409 4.114 1.00 0.00 C ATOM 348 CG GLU A 25 1.457 -0.508 4.150 1.00 0.00 C ATOM 349 CD GLU A 25 0.786 0.837 4.356 1.00 0.00 C ATOM 350 OE1 GLU A 25 1.487 1.799 4.734 1.00 0.00 O ATOM 351 OE2 GLU A 25 -0.441 0.927 4.138 1.00 0.00 O ATOM 0 H GLU A 25 2.633 -2.594 5.170 1.00 0.00 H new ATOM 0 HA GLU A 25 3.375 -1.823 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.338 -0.185 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.259 0.427 3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.104 -0.946 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.160 -1.184 4.952 1.00 0.00 H new ATOM 358 N ASP A 26 5.879 -2.349 2.927 1.00 0.00 N ATOM 359 CA ASP A 26 7.323 -2.293 2.983 1.00 0.00 C ATOM 360 C ASP A 26 7.991 -2.828 1.710 1.00 0.00 C ATOM 361 O ASP A 26 7.730 -2.335 0.615 1.00 0.00 O ATOM 362 CB ASP A 26 7.803 -3.056 4.200 1.00 0.00 C ATOM 363 CG ASP A 26 7.442 -2.375 5.505 1.00 0.00 C ATOM 364 OD1 ASP A 26 7.764 -1.178 5.660 1.00 0.00 O ATOM 365 OD2 ASP A 26 6.843 -3.040 6.376 1.00 0.00 O ATOM 0 H ASP A 26 5.496 -3.030 2.271 1.00 0.00 H new ATOM 0 HA ASP A 26 7.612 -1.245 3.059 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.372 -4.057 4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.885 -3.174 4.145 1.00 0.00 H new ATOM 370 N TYR A 27 8.870 -3.820 1.884 1.00 0.00 N ATOM 371 CA TYR A 27 9.634 -4.432 0.793 1.00 0.00 C ATOM 372 C TYR A 27 10.704 -3.492 0.283 1.00 0.00 C ATOM 373 O TYR A 27 10.634 -3.008 -0.847 1.00 0.00 O ATOM 374 CB TYR A 27 8.775 -4.859 -0.387 1.00 0.00 C ATOM 375 CG TYR A 27 9.532 -5.760 -1.345 1.00 0.00 C ATOM 376 CD1 TYR A 27 10.068 -6.968 -0.912 1.00 0.00 C ATOM 377 CD2 TYR A 27 9.719 -5.401 -2.673 1.00 0.00 C ATOM 378 CE1 TYR A 27 10.763 -7.793 -1.775 1.00 0.00 C ATOM 379 CE2 TYR A 27 10.415 -6.223 -3.544 1.00 0.00 C ATOM 380 CZ TYR A 27 10.934 -7.417 -3.089 1.00 0.00 C ATOM 381 OH TYR A 27 11.626 -8.239 -3.952 1.00 0.00 O ATOM 0 H TYR A 27 9.073 -4.225 2.798 1.00 0.00 H new ATOM 0 HA TYR A 27 10.081 -5.326 1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.890 -5.380 -0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.426 -3.975 -0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.939 -7.267 0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.315 -4.466 -3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.170 -8.728 -1.421 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.551 -5.930 -4.575 1.00 0.00 H new ATOM 0 HH TYR A 27 11.656 -7.829 -4.841 1.00 0.00 H new ATOM 391 N ARG A 28 11.706 -3.238 1.110 1.00 0.00 N ATOM 392 CA ARG A 28 12.789 -2.360 0.711 1.00 0.00 C ATOM 393 C ARG A 28 12.246 -0.987 0.332 1.00 0.00 C ATOM 394 O ARG A 28 12.677 -0.388 -0.653 1.00 0.00 O ATOM 395 CB ARG A 28 13.522 -2.980 -0.477 1.00 0.00 C ATOM 396 CG ARG A 28 15.033 -2.863 -0.386 1.00 0.00 C ATOM 397 CD ARG A 28 15.722 -4.135 -0.855 1.00 0.00 C ATOM 398 NE ARG A 28 16.937 -4.414 -0.093 1.00 0.00 N ATOM 399 CZ ARG A 28 16.950 -4.698 1.208 1.00 0.00 C ATOM 400 NH1 ARG A 28 15.816 -4.739 1.898 1.00 0.00 N ATOM 401 NH2 ARG A 28 18.100 -4.940 1.820 1.00 0.00 N ATOM 0 H ARG A 28 11.790 -3.623 2.051 1.00 0.00 H new ATOM 0 HA ARG A 28 13.480 -2.237 1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.251 -4.033 -0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.183 -2.498 -1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.370 -2.021 -0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.321 -2.651 0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.034 -4.975 -0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.970 -4.044 -1.912 1.00 0.00 H new ATOM 0 HE ARG A 28 17.829 -4.390 -0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.928 -4.552 1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.833 -4.957 2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.974 -4.909 1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.112 -5.158 2.816 1.00 0.00 H new ATOM 415 N ALA A 29 11.281 -0.505 1.109 1.00 0.00 N ATOM 416 CA ALA A 29 10.665 0.784 0.835 1.00 0.00 C ATOM 417 C ALA A 29 9.945 0.742 -0.509 1.00 0.00 C ATOM 418 O ALA A 29 9.793 1.762 -1.179 1.00 0.00 O ATOM 419 CB ALA A 29 11.711 1.889 0.842 1.00 0.00 C ATOM 0 H ALA A 29 10.912 -0.986 1.929 1.00 0.00 H new ATOM 0 HA ALA A 29 9.938 0.997 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.231 2.846 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.192 1.928 1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.460 1.686 0.077 1.00 0.00 H new ATOM 425 N GLY A 30 9.518 -0.458 -0.899 1.00 0.00 N ATOM 426 CA GLY A 30 8.836 -0.632 -2.166 1.00 0.00 C ATOM 427 C GLY A 30 7.325 -0.605 -2.040 1.00 0.00 C ATOM 428 O GLY A 30 6.626 -1.118 -2.912 1.00 0.00 O ATOM 0 H GLY A 30 9.634 -1.314 -0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.151 0.155 -2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.140 -1.581 -2.608 1.00 0.00 H new ATOM 432 N ASP A 31 6.827 -0.017 -0.947 1.00 0.00 N ATOM 433 CA ASP A 31 5.386 0.079 -0.684 1.00 0.00 C ATOM 434 C ASP A 31 4.905 -1.058 0.213 1.00 0.00 C ATOM 435 O ASP A 31 4.905 -0.925 1.421 1.00 0.00 O ATOM 436 CB ASP A 31 4.573 0.146 -1.990 1.00 0.00 C ATOM 437 CG ASP A 31 5.023 1.279 -2.892 1.00 0.00 C ATOM 438 OD1 ASP A 31 5.105 2.427 -2.410 1.00 0.00 O ATOM 439 OD2 ASP A 31 5.294 1.015 -4.084 1.00 0.00 O ATOM 0 H ASP A 31 7.408 0.404 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 31 5.217 1.013 -0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.669 -0.800 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.517 0.272 -1.752 1.00 0.00 H new ATOM 444 N MET A 32 4.457 -2.137 -0.405 1.00 0.00 N ATOM 445 CA MET A 32 3.928 -3.267 0.333 1.00 0.00 C ATOM 446 C MET A 32 4.610 -4.563 -0.061 1.00 0.00 C ATOM 447 O MET A 32 5.236 -4.649 -1.105 1.00 0.00 O ATOM 448 CB MET A 32 2.428 -3.360 0.118 1.00 0.00 C ATOM 449 CG MET A 32 1.631 -2.400 0.987 1.00 0.00 C ATOM 450 SD MET A 32 -0.100 -2.293 0.496 1.00 0.00 S ATOM 451 CE MET A 32 -0.919 -2.731 2.027 1.00 0.00 C ATOM 0 H MET A 32 4.450 -2.253 -1.418 1.00 0.00 H new ATOM 0 HA MET A 32 4.130 -3.108 1.392 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.206 -3.159 -0.930 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.102 -4.380 0.323 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.690 -2.722 2.027 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.082 -1.409 0.934 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.938 -3.054 1.815 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.375 -3.541 2.512 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.943 -1.864 2.688 1.00 0.00 H new ATOM 461 N ILE A 33 4.494 -5.553 0.809 1.00 0.00 N ATOM 462 CA ILE A 33 5.095 -6.864 0.626 1.00 0.00 C ATOM 463 C ILE A 33 4.177 -7.896 1.239 1.00 0.00 C ATOM 464 O ILE A 33 3.626 -7.689 2.314 1.00 0.00 O ATOM 465 CB ILE A 33 6.485 -6.896 1.310 1.00 0.00 C ATOM 466 CG1 ILE A 33 7.481 -7.735 0.514 1.00 0.00 C ATOM 467 CG2 ILE A 33 6.389 -7.399 2.746 1.00 0.00 C ATOM 468 CD1 ILE A 33 7.169 -9.208 0.514 1.00 0.00 C ATOM 0 H ILE A 33 3.969 -5.466 1.679 1.00 0.00 H new ATOM 0 HA ILE A 33 5.230 -7.080 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 33 6.852 -5.870 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.503 -7.377 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.479 -7.584 0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.382 -7.409 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.737 -6.740 3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.979 -8.409 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.920 -9.739 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.176 -9.581 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.185 -9.371 0.075 1.00 0.00 H new ATOM 480 N CYS A 34 4.025 -9.005 0.570 1.00 0.00 N ATOM 481 CA CYS A 34 3.195 -10.068 1.051 1.00 0.00 C ATOM 482 C CYS A 34 4.079 -11.146 1.638 1.00 0.00 C ATOM 483 O CYS A 34 4.684 -11.899 0.897 1.00 0.00 O ATOM 484 CB CYS A 34 2.435 -10.572 -0.135 1.00 0.00 C ATOM 485 SG CYS A 34 0.858 -11.343 0.226 1.00 0.00 S ATOM 0 H CYS A 34 4.475 -9.195 -0.325 1.00 0.00 H new ATOM 0 HA CYS A 34 2.505 -9.745 1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.264 -9.738 -0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.059 -11.292 -0.664 1.00 0.00 H new ATOM 490 N PRO A 35 4.187 -11.222 2.975 1.00 0.00 N ATOM 491 CA PRO A 35 5.054 -12.199 3.645 1.00 0.00 C ATOM 492 C PRO A 35 4.833 -13.641 3.212 1.00 0.00 C ATOM 493 O PRO A 35 5.621 -14.509 3.563 1.00 0.00 O ATOM 494 CB PRO A 35 4.705 -12.043 5.134 1.00 0.00 C ATOM 495 CG PRO A 35 3.456 -11.229 5.171 1.00 0.00 C ATOM 496 CD PRO A 35 3.495 -10.363 3.948 1.00 0.00 C ATOM 0 HA PRO A 35 6.098 -12.003 3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.554 -13.014 5.605 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.511 -11.548 5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.573 -11.868 5.169 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.410 -10.624 6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.495 -10.091 3.611 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.035 -9.433 4.126 1.00 0.00 H new ATOM 504 N GLU A 36 3.823 -13.897 2.407 1.00 0.00 N ATOM 505 CA GLU A 36 3.589 -15.256 1.942 1.00 0.00 C ATOM 506 C GLU A 36 4.073 -15.449 0.528 1.00 0.00 C ATOM 507 O GLU A 36 4.931 -16.284 0.290 1.00 0.00 O ATOM 508 CB GLU A 36 2.135 -15.639 2.073 1.00 0.00 C ATOM 509 CG GLU A 36 1.744 -16.077 3.474 1.00 0.00 C ATOM 510 CD GLU A 36 1.751 -17.583 3.640 1.00 0.00 C ATOM 511 OE1 GLU A 36 2.780 -18.211 3.315 1.00 0.00 O ATOM 512 OE2 GLU A 36 0.727 -18.134 4.097 1.00 0.00 O ATOM 0 H GLU A 36 3.161 -13.201 2.064 1.00 0.00 H new ATOM 0 HA GLU A 36 4.169 -15.921 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.517 -14.790 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.917 -16.447 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.432 -15.633 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.750 -15.695 3.705 1.00 0.00 H new ATOM 519 N CYS A 37 3.654 -14.610 -0.406 1.00 0.00 N ATOM 520 CA CYS A 37 4.217 -14.732 -1.732 1.00 0.00 C ATOM 521 C CYS A 37 5.355 -13.758 -1.790 1.00 0.00 C ATOM 522 O CYS A 37 6.356 -13.998 -2.430 1.00 0.00 O ATOM 523 CB CYS A 37 3.224 -14.564 -2.891 1.00 0.00 C ATOM 524 SG CYS A 37 2.078 -13.176 -2.776 1.00 0.00 S ATOM 0 H CYS A 37 2.960 -13.873 -0.279 1.00 0.00 H new ATOM 0 HA CYS A 37 4.554 -15.758 -1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.793 -14.461 -3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.641 -15.481 -2.976 1.00 0.00 H new ATOM 529 N GLY A 38 5.181 -12.669 -1.059 1.00 0.00 N ATOM 530 CA GLY A 38 6.183 -11.639 -0.938 1.00 0.00 C ATOM 531 C GLY A 38 6.174 -10.646 -2.077 1.00 0.00 C ATOM 532 O GLY A 38 7.209 -10.092 -2.448 1.00 0.00 O ATOM 0 H GLY A 38 4.330 -12.479 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.030 -11.104 -0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.166 -12.106 -0.882 1.00 0.00 H new ATOM 536 N LEU A 39 4.992 -10.418 -2.613 1.00 0.00 N ATOM 537 CA LEU A 39 4.815 -9.477 -3.701 1.00 0.00 C ATOM 538 C LEU A 39 5.122 -8.076 -3.199 1.00 0.00 C ATOM 539 O LEU A 39 5.919 -7.922 -2.268 1.00 0.00 O ATOM 540 CB LEU A 39 3.388 -9.566 -4.245 1.00 0.00 C ATOM 541 CG LEU A 39 2.318 -9.004 -3.309 1.00 0.00 C ATOM 542 CD1 LEU A 39 1.671 -7.767 -3.894 1.00 0.00 C ATOM 543 CD2 LEU A 39 1.271 -10.048 -3.009 1.00 0.00 C ATOM 0 H LEU A 39 4.133 -10.876 -2.310 1.00 0.00 H new ATOM 0 HA LEU A 39 5.498 -9.718 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.340 -9.032 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.157 -10.610 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 39 2.809 -8.722 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.915 -7.391 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.429 -7.001 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.202 -8.017 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.519 -9.628 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.796 -10.364 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.741 -10.908 -2.531 1.00 0.00 H new ATOM 555 N VAL A 40 4.434 -7.078 -3.757 1.00 0.00 N ATOM 556 CA VAL A 40 4.566 -5.688 -3.353 1.00 0.00 C ATOM 557 C VAL A 40 3.219 -5.014 -3.603 1.00 0.00 C ATOM 558 O VAL A 40 2.397 -5.589 -4.292 1.00 0.00 O ATOM 559 CB VAL A 40 5.701 -4.991 -4.127 1.00 0.00 C ATOM 560 CG1 VAL A 40 5.666 -3.480 -3.942 1.00 0.00 C ATOM 561 CG2 VAL A 40 7.037 -5.555 -3.680 1.00 0.00 C ATOM 0 H VAL A 40 3.762 -7.220 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 40 4.830 -5.618 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 40 5.561 -5.186 -5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.482 -3.026 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.715 -3.091 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.776 -3.240 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.841 -5.063 -4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.166 -5.382 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.065 -6.626 -3.880 1.00 0.00 H new ATOM 571 N VAL A 41 2.984 -3.794 -3.141 1.00 0.00 N ATOM 572 CA VAL A 41 1.711 -3.110 -3.404 1.00 0.00 C ATOM 573 C VAL A 41 1.783 -1.667 -2.896 1.00 0.00 C ATOM 574 O VAL A 41 2.183 -1.417 -1.761 1.00 0.00 O ATOM 575 CB VAL A 41 0.497 -3.771 -2.693 1.00 0.00 C ATOM 576 CG1 VAL A 41 -0.720 -2.853 -2.744 1.00 0.00 C ATOM 577 CG2 VAL A 41 0.134 -5.129 -3.273 1.00 0.00 C ATOM 0 H VAL A 41 3.648 -3.255 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 41 1.563 -3.167 -4.482 1.00 0.00 H new ATOM 0 HB VAL A 41 0.800 -3.930 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.559 -3.333 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.488 -1.913 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.984 -2.656 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.721 -5.538 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.121 -5.018 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.983 -5.806 -3.174 1.00 0.00 H new ATOM 587 N GLY A 42 1.361 -0.724 -3.718 1.00 0.00 N ATOM 588 CA GLY A 42 1.359 0.655 -3.284 1.00 0.00 C ATOM 589 C GLY A 42 2.033 1.599 -4.253 1.00 0.00 C ATOM 590 O GLY A 42 2.967 1.223 -4.960 1.00 0.00 O ATOM 0 H GLY A 42 1.023 -0.884 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.329 0.978 -3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.859 0.723 -2.318 1.00 0.00 H new ATOM 594 N ASP A 43 1.557 2.837 -4.261 1.00 0.00 N ATOM 595 CA ASP A 43 2.103 3.872 -5.126 1.00 0.00 C ATOM 596 C ASP A 43 1.790 5.253 -4.563 1.00 0.00 C ATOM 597 O ASP A 43 0.638 5.563 -4.262 1.00 0.00 O ATOM 598 CB ASP A 43 1.534 3.739 -6.539 1.00 0.00 C ATOM 599 CG ASP A 43 2.604 3.847 -7.605 1.00 0.00 C ATOM 600 OD1 ASP A 43 3.716 4.317 -7.286 1.00 0.00 O ATOM 601 OD2 ASP A 43 2.332 3.459 -8.762 1.00 0.00 O ATOM 0 H ASP A 43 0.786 3.150 -3.671 1.00 0.00 H new ATOM 0 HA ASP A 43 3.185 3.749 -5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.026 2.779 -6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.785 4.514 -6.700 1.00 0.00 H new ATOM 606 N ARG A 44 2.822 6.080 -4.424 1.00 0.00 N ATOM 607 CA ARG A 44 2.653 7.429 -3.897 1.00 0.00 C ATOM 608 C ARG A 44 2.786 8.466 -5.010 1.00 0.00 C ATOM 609 O ARG A 44 3.894 8.801 -5.430 1.00 0.00 O ATOM 610 CB ARG A 44 3.685 7.704 -2.799 1.00 0.00 C ATOM 611 CG ARG A 44 3.103 8.388 -1.573 1.00 0.00 C ATOM 612 CD ARG A 44 4.146 8.549 -0.479 1.00 0.00 C ATOM 613 NE ARG A 44 5.317 9.287 -0.945 1.00 0.00 N ATOM 614 CZ ARG A 44 5.345 10.608 -1.106 1.00 0.00 C ATOM 615 NH1 ARG A 44 4.273 11.340 -0.828 1.00 0.00 N ATOM 616 NH2 ARG A 44 6.449 11.198 -1.543 1.00 0.00 N ATOM 0 H ARG A 44 3.783 5.840 -4.669 1.00 0.00 H new ATOM 0 HA ARG A 44 1.653 7.505 -3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.141 6.761 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.481 8.326 -3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.712 9.367 -1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.263 7.806 -1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.703 9.070 0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.455 7.566 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 44 6.163 8.759 -1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.422 10.891 -0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.300 12.352 -0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.276 10.640 -1.755 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.472 12.210 -1.667 1.00 0.00 H new ATOM 630 N VAL A 45 1.650 8.970 -5.483 1.00 0.00 N ATOM 631 CA VAL A 45 1.643 9.967 -6.548 1.00 0.00 C ATOM 632 C VAL A 45 0.709 11.125 -6.214 1.00 0.00 C ATOM 633 O VAL A 45 -0.405 11.208 -6.734 1.00 0.00 O ATOM 634 CB VAL A 45 1.218 9.351 -7.895 1.00 0.00 C ATOM 635 CG1 VAL A 45 2.267 8.364 -8.386 1.00 0.00 C ATOM 636 CG2 VAL A 45 -0.144 8.680 -7.771 1.00 0.00 C ATOM 0 H VAL A 45 0.724 8.705 -5.146 1.00 0.00 H new ATOM 0 HA VAL A 45 2.663 10.341 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 45 1.135 10.152 -8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.949 7.939 -9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.218 8.880 -8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.386 7.565 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.427 8.251 -8.732 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.094 7.890 -7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.887 9.418 -7.470 1.00 0.00 H new ATOM 646 N ILE A 46 1.168 12.019 -5.344 1.00 0.00 N ATOM 647 CA ILE A 46 0.371 13.174 -4.944 1.00 0.00 C ATOM 648 C ILE A 46 1.205 14.452 -4.987 1.00 0.00 C ATOM 649 O ILE A 46 1.034 15.282 -5.880 1.00 0.00 O ATOM 650 CB ILE A 46 -0.222 13.001 -3.527 1.00 0.00 C ATOM 651 CG1 ILE A 46 -0.392 11.519 -3.184 1.00 0.00 C ATOM 652 CG2 ILE A 46 -1.557 13.727 -3.421 1.00 0.00 C ATOM 653 CD1 ILE A 46 -1.380 10.801 -4.078 1.00 0.00 C ATOM 0 H ILE A 46 2.086 11.966 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.451 13.251 -5.656 1.00 0.00 H new ATOM 0 HB ILE A 46 0.473 13.438 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.577 11.024 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.720 11.429 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.963 13.597 -2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.410 14.789 -3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.254 13.315 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.450 9.756 -3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.360 11.270 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.043 10.859 -5.113 1.00 0.00 H new ATOM 665 N ASP A 47 2.114 14.597 -4.022 1.00 0.00 N ATOM 666 CA ASP A 47 2.990 15.767 -3.945 1.00 0.00 C ATOM 667 C ASP A 47 2.236 17.063 -4.245 1.00 0.00 C ATOM 668 O ASP A 47 2.099 17.458 -5.403 1.00 0.00 O ATOM 669 CB ASP A 47 4.163 15.611 -4.914 1.00 0.00 C ATOM 670 CG ASP A 47 5.486 16.004 -4.286 1.00 0.00 C ATOM 671 OD1 ASP A 47 5.765 15.551 -3.157 1.00 0.00 O ATOM 672 OD2 ASP A 47 6.244 16.764 -4.925 1.00 0.00 O ATOM 0 H ASP A 47 2.263 13.915 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 47 3.366 15.829 -2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.217 14.576 -5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.986 16.225 -5.797 1.00 0.00 H new ATOM 677 N VAL A 48 1.757 17.723 -3.196 1.00 0.00 N ATOM 678 CA VAL A 48 1.026 18.975 -3.354 1.00 0.00 C ATOM 679 C VAL A 48 1.954 20.093 -3.816 1.00 0.00 C ATOM 680 O VAL A 48 3.160 19.889 -3.962 1.00 0.00 O ATOM 681 CB VAL A 48 0.343 19.399 -2.040 1.00 0.00 C ATOM 682 CG1 VAL A 48 -0.854 18.509 -1.746 1.00 0.00 C ATOM 683 CG2 VAL A 48 1.337 19.367 -0.887 1.00 0.00 C ATOM 0 H VAL A 48 1.861 17.413 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 48 0.260 18.803 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.015 20.422 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.322 18.825 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.575 18.589 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.524 17.474 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.837 19.669 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.728 18.356 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.158 20.052 -1.096 1.00 0.00 H new ATOM 693 N GLY A 49 1.388 21.273 -4.047 1.00 0.00 N ATOM 694 CA GLY A 49 2.184 22.402 -4.492 1.00 0.00 C ATOM 695 C GLY A 49 1.464 23.727 -4.321 1.00 0.00 C ATOM 696 O GLY A 49 1.160 24.406 -5.301 1.00 0.00 O ATOM 0 H GLY A 49 0.393 21.468 -3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.119 22.426 -3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.444 22.267 -5.542 1.00 0.00 H new ATOM 700 N SER A 50 1.195 24.094 -3.072 1.00 0.00 N ATOM 701 CA SER A 50 0.506 25.346 -2.771 1.00 0.00 C ATOM 702 C SER A 50 0.325 25.519 -1.266 1.00 0.00 C ATOM 703 O SER A 50 0.430 26.627 -0.742 1.00 0.00 O ATOM 704 CB SER A 50 -0.856 25.387 -3.467 1.00 0.00 C ATOM 705 OG SER A 50 -1.543 26.591 -3.174 1.00 0.00 O ATOM 0 H SER A 50 1.443 23.542 -2.251 1.00 0.00 H new ATOM 0 HA SER A 50 1.120 26.166 -3.143 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.720 25.295 -4.545 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.457 24.535 -3.148 1.00 0.00 H new ATOM 0 HG SER A 50 -2.409 26.593 -3.632 1.00 0.00 H new ATOM 711 N GLU A 51 0.050 24.415 -0.579 1.00 0.00 N ATOM 712 CA GLU A 51 -0.149 24.443 0.867 1.00 0.00 C ATOM 713 C GLU A 51 1.079 24.995 1.587 1.00 0.00 C ATOM 714 O GLU A 51 0.985 25.438 2.731 1.00 0.00 O ATOM 715 CB GLU A 51 -0.466 23.038 1.385 1.00 0.00 C ATOM 716 CG GLU A 51 -1.618 22.366 0.656 1.00 0.00 C ATOM 717 CD GLU A 51 -2.771 22.023 1.577 1.00 0.00 C ATOM 718 OE1 GLU A 51 -2.590 21.157 2.460 1.00 0.00 O ATOM 719 OE2 GLU A 51 -3.857 22.620 1.417 1.00 0.00 O ATOM 0 H GLU A 51 -0.040 23.490 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.991 25.104 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.424 22.416 1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.704 23.097 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.975 23.024 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.258 21.456 0.177 1.00 0.00 H new ATOM 726 N TRP A 52 2.230 24.961 0.914 1.00 0.00 N ATOM 727 CA TRP A 52 3.482 25.455 1.490 1.00 0.00 C ATOM 728 C TRP A 52 3.961 24.549 2.622 1.00 0.00 C ATOM 729 O TRP A 52 5.044 23.969 2.545 1.00 0.00 O ATOM 730 CB TRP A 52 3.320 26.891 2.000 1.00 0.00 C ATOM 731 CG TRP A 52 3.070 27.884 0.906 1.00 0.00 C ATOM 732 CD1 TRP A 52 3.771 28.015 -0.258 1.00 0.00 C ATOM 733 CD2 TRP A 52 2.049 28.887 0.876 1.00 0.00 C ATOM 734 NE1 TRP A 52 3.249 29.038 -1.011 1.00 0.00 N ATOM 735 CE2 TRP A 52 2.191 29.589 -0.337 1.00 0.00 C ATOM 736 CE3 TRP A 52 1.029 29.260 1.755 1.00 0.00 C ATOM 737 CZ2 TRP A 52 1.350 30.642 -0.690 1.00 0.00 C ATOM 738 CZ3 TRP A 52 0.195 30.305 1.402 1.00 0.00 C ATOM 739 CH2 TRP A 52 0.360 30.985 0.189 1.00 0.00 C ATOM 0 H TRP A 52 2.321 24.595 -0.034 1.00 0.00 H new ATOM 0 HA TRP A 52 4.233 25.448 0.700 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.493 26.926 2.709 1.00 0.00 H new ATOM 0 HB3 TRP A 52 4.219 27.179 2.544 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.613 27.403 -0.545 1.00 0.00 H new ATOM 0 HE1 TRP A 52 3.593 29.339 -1.923 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.894 28.742 2.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.475 31.169 -1.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.597 30.602 2.073 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.308 31.797 -0.057 1.00 0.00 H new ATOM 750 N ARG A 53 3.151 24.433 3.673 1.00 0.00 N ATOM 751 CA ARG A 53 3.490 23.598 4.824 1.00 0.00 C ATOM 752 C ARG A 53 4.519 24.290 5.714 1.00 0.00 C ATOM 753 O ARG A 53 5.691 24.401 5.355 1.00 0.00 O ATOM 754 CB ARG A 53 4.021 22.235 4.366 1.00 0.00 C ATOM 755 CG ARG A 53 3.414 21.062 5.119 1.00 0.00 C ATOM 756 CD ARG A 53 3.831 21.064 6.581 1.00 0.00 C ATOM 757 NE ARG A 53 3.529 19.795 7.239 1.00 0.00 N ATOM 758 CZ ARG A 53 3.616 19.601 8.553 1.00 0.00 C ATOM 759 NH1 ARG A 53 3.996 20.591 9.351 1.00 0.00 N ATOM 760 NH2 ARG A 53 3.322 18.416 9.069 1.00 0.00 N ATOM 0 H ARG A 53 2.252 24.909 3.751 1.00 0.00 H new ATOM 0 HA ARG A 53 2.581 23.442 5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.821 22.115 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.104 22.215 4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.327 21.107 5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.725 20.128 4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.900 21.264 6.653 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.320 21.873 7.102 1.00 0.00 H new ATOM 0 HE ARG A 53 3.234 19.011 6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.223 21.505 8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.061 20.438 10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.029 17.653 8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.389 18.267 10.076 1.00 0.00 H new ATOM 774 N THR A 54 4.069 24.752 6.876 1.00 0.00 N ATOM 775 CA THR A 54 4.947 25.434 7.821 1.00 0.00 C ATOM 776 C THR A 54 4.406 25.312 9.243 1.00 0.00 C ATOM 777 O THR A 54 3.520 24.502 9.513 1.00 0.00 O ATOM 778 CB THR A 54 5.094 26.909 7.439 1.00 0.00 C ATOM 779 OG1 THR A 54 4.744 27.114 6.083 1.00 0.00 O ATOM 780 CG2 THR A 54 6.498 27.440 7.637 1.00 0.00 C ATOM 0 H THR A 54 3.101 24.667 7.186 1.00 0.00 H new ATOM 0 HA THR A 54 5.928 24.959 7.782 1.00 0.00 H new ATOM 0 HB THR A 54 4.421 27.449 8.105 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.843 28.063 5.859 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.534 28.490 7.348 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.779 27.342 8.686 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.193 26.870 7.020 1.00 0.00 H new ATOM 788 N PHE A 55 4.945 26.123 10.150 1.00 0.00 N ATOM 789 CA PHE A 55 4.513 26.105 11.543 1.00 0.00 C ATOM 790 C PHE A 55 3.466 27.184 11.800 1.00 0.00 C ATOM 791 O PHE A 55 3.581 27.964 12.744 1.00 0.00 O ATOM 792 CB PHE A 55 5.712 26.301 12.476 1.00 0.00 C ATOM 793 CG PHE A 55 6.610 27.436 12.072 1.00 0.00 C ATOM 794 CD1 PHE A 55 6.384 28.718 12.544 1.00 0.00 C ATOM 795 CD2 PHE A 55 7.683 27.218 11.222 1.00 0.00 C ATOM 796 CE1 PHE A 55 7.211 29.763 12.176 1.00 0.00 C ATOM 797 CE2 PHE A 55 8.513 28.259 10.851 1.00 0.00 C ATOM 798 CZ PHE A 55 8.276 29.533 11.328 1.00 0.00 C ATOM 0 H PHE A 55 5.680 26.799 9.945 1.00 0.00 H new ATOM 0 HA PHE A 55 4.063 25.133 11.746 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.349 26.479 13.488 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.294 25.380 12.504 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.552 28.904 13.207 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.873 26.224 10.845 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.024 30.758 12.551 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.346 28.076 10.189 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.923 30.348 11.038 1.00 0.00 H new ATOM 808 N SER A 56 2.443 27.220 10.952 1.00 0.00 N ATOM 809 CA SER A 56 1.373 28.203 11.085 1.00 0.00 C ATOM 810 C SER A 56 1.915 29.620 10.935 1.00 0.00 C ATOM 811 O SER A 56 3.119 29.822 10.779 1.00 0.00 O ATOM 812 CB SER A 56 0.677 28.051 12.439 1.00 0.00 C ATOM 813 OG SER A 56 -0.443 27.189 12.345 1.00 0.00 O ATOM 0 H SER A 56 2.332 26.580 10.165 1.00 0.00 H new ATOM 0 HA SER A 56 0.649 28.024 10.290 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.382 27.657 13.171 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.357 29.029 12.798 1.00 0.00 H new ATOM 0 HG SER A 56 -0.868 27.108 13.224 1.00 0.00 H new ATOM 819 N ASN A 57 1.016 30.599 10.981 1.00 0.00 N ATOM 820 CA ASN A 57 1.403 31.998 10.849 1.00 0.00 C ATOM 821 C ASN A 57 1.314 32.715 12.193 1.00 0.00 C ATOM 822 O ASN A 57 0.330 32.570 12.921 1.00 0.00 O ATOM 823 CB ASN A 57 0.514 32.699 9.821 1.00 0.00 C ATOM 824 CG ASN A 57 1.316 33.480 8.798 1.00 0.00 C ATOM 825 OD1 ASN A 57 2.408 33.068 8.403 1.00 0.00 O ATOM 826 ND2 ASN A 57 0.779 34.614 8.363 1.00 0.00 N ATOM 0 H ASN A 57 0.015 30.448 11.109 1.00 0.00 H new ATOM 0 HA ASN A 57 2.437 32.034 10.507 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.098 31.957 9.309 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.169 33.375 10.336 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.274 35.181 7.675 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.128 34.918 8.717 1.00 0.00 H new ATOM 833 N ASP A 58 2.345 33.487 12.517 1.00 0.00 N ATOM 834 CA ASP A 58 2.381 34.226 13.774 1.00 0.00 C ATOM 835 C ASP A 58 1.480 35.456 13.709 1.00 0.00 C ATOM 836 O ASP A 58 0.910 35.874 14.717 1.00 0.00 O ATOM 837 CB ASP A 58 3.814 34.648 14.102 1.00 0.00 C ATOM 838 CG ASP A 58 4.084 34.669 15.594 1.00 0.00 C ATOM 839 OD1 ASP A 58 3.730 35.674 16.247 1.00 0.00 O ATOM 840 OD2 ASP A 58 4.650 33.683 16.109 1.00 0.00 O ATOM 0 H ASP A 58 3.167 33.618 11.927 1.00 0.00 H new ATOM 0 HA ASP A 58 2.013 33.569 14.562 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.511 33.963 13.619 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.002 35.639 13.688 1.00 0.00 H new ATOM 845 N LYS A 59 1.355 36.029 12.517 1.00 0.00 N ATOM 846 CA LYS A 59 0.524 37.210 12.319 1.00 0.00 C ATOM 847 C LYS A 59 -0.957 36.847 12.368 1.00 0.00 C ATOM 848 O LYS A 59 -1.378 35.836 11.805 1.00 0.00 O ATOM 849 CB LYS A 59 0.853 37.874 10.982 1.00 0.00 C ATOM 850 CG LYS A 59 2.146 38.673 11.001 1.00 0.00 C ATOM 851 CD LYS A 59 3.054 38.300 9.839 1.00 0.00 C ATOM 852 CE LYS A 59 3.850 37.038 10.133 1.00 0.00 C ATOM 853 NZ LYS A 59 3.792 36.070 9.004 1.00 0.00 N ATOM 0 H LYS A 59 1.819 35.694 11.673 1.00 0.00 H new ATOM 0 HA LYS A 59 0.736 37.911 13.126 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.922 37.106 10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.032 38.534 10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.917 39.738 10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.668 38.498 11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.454 38.152 8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.739 39.123 9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.889 37.302 10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.462 36.566 11.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.990 35.112 9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.844 36.092 8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.501 36.328 8.289 1.00 0.00 H new TER 867 LYS A 59 HETATM 868 ZN ZN A 61 0.924 -13.405 -0.812 1.00 0.00 ZN