USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 563 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 47 THR OG1 : rot -150:sc= 0 USER MOD Set 1.2: A 72 GLN : amide:sc= -0.953 K(o=-0.95,f=0.55) USER MOD Set 2.1: A 16 SER OG : rot -94:sc= 0.117 USER MOD Set 2.2: A 30 SER OG : rot 150:sc= 0 USER MOD Set 2.3: A 37 GLN : amide:sc= -0.926 X(o=-0.81,f=-0.87) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0771 (180deg=0) USER MOD Single : A 2 SER OG : rot 8:sc= 0.0827 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -151:sc= 0.653 (180deg=0.312) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.0676 X(o=-0.068,f=-0.076) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.572 X(o=-0.57,f=-0.27) USER MOD Single : A 29 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.62) USER MOD Single : A 36 LYS NZ :NH3+ -126:sc= 0.19 (180deg=-0.337) USER MOD Single : A 39 HIS : no HE2:sc= -3.77! C(o=-3.8!,f=-3.9!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc=-0.00703 X(o=-0.007,f=-0.056) USER MOD Single : A 49 SER OG : rot -56:sc= 0.668 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.602 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 75 SER OG : rot 50:sc= 0.615 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.711 4.270 -36.259 1.00 0.00 N ATOM 2 CA GLY A 1 -5.020 3.964 -35.713 1.00 0.00 C ATOM 3 C GLY A 1 -5.147 2.513 -35.291 1.00 0.00 C ATOM 4 O GLY A 1 -4.308 1.683 -35.639 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.245 4.985 -35.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.132 3.406 -36.278 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.816 4.638 -37.226 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.212 4.607 -34.854 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.783 4.191 -36.458 1.00 0.00 H new ATOM 8 N SER A 2 -6.199 2.208 -34.538 1.00 0.00 N ATOM 9 CA SER A 2 -6.431 0.849 -34.063 1.00 0.00 C ATOM 10 C SER A 2 -7.923 0.531 -34.031 1.00 0.00 C ATOM 11 O SER A 2 -8.687 1.160 -33.299 1.00 0.00 O ATOM 12 CB SER A 2 -5.828 0.663 -32.669 1.00 0.00 C ATOM 13 OG SER A 2 -4.420 0.523 -32.737 1.00 0.00 O ATOM 0 H SER A 2 -6.904 2.884 -34.244 1.00 0.00 H new ATOM 0 HA SER A 2 -5.946 0.161 -34.756 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.082 1.518 -32.043 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.262 -0.218 -32.196 1.00 0.00 H new ATOM 0 HG SER A 2 -4.118 0.699 -33.653 1.00 0.00 H new ATOM 19 N SER A 3 -8.330 -0.450 -34.830 1.00 0.00 N ATOM 20 CA SER A 3 -9.730 -0.850 -34.897 1.00 0.00 C ATOM 21 C SER A 3 -9.895 -2.318 -34.517 1.00 0.00 C ATOM 22 O SER A 3 -8.954 -3.104 -34.611 1.00 0.00 O ATOM 23 CB SER A 3 -10.284 -0.610 -36.303 1.00 0.00 C ATOM 24 OG SER A 3 -11.594 -1.135 -36.432 1.00 0.00 O ATOM 0 H SER A 3 -7.710 -0.982 -35.440 1.00 0.00 H new ATOM 0 HA SER A 3 -10.290 -0.244 -34.185 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.295 0.459 -36.515 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.629 -1.075 -37.040 1.00 0.00 H new ATOM 0 HG SER A 3 -11.926 -0.967 -37.339 1.00 0.00 H new ATOM 30 N GLY A 4 -11.100 -2.679 -34.085 1.00 0.00 N ATOM 31 CA GLY A 4 -11.367 -4.052 -33.696 1.00 0.00 C ATOM 32 C GLY A 4 -11.071 -4.307 -32.232 1.00 0.00 C ATOM 33 O GLY A 4 -11.257 -3.427 -31.391 1.00 0.00 O ATOM 0 H GLY A 4 -11.895 -2.046 -33.998 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.412 -4.287 -33.899 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.765 -4.724 -34.308 1.00 0.00 H new ATOM 37 N SER A 5 -10.610 -5.515 -31.925 1.00 0.00 N ATOM 38 CA SER A 5 -10.293 -5.886 -30.551 1.00 0.00 C ATOM 39 C SER A 5 -11.390 -5.425 -29.596 1.00 0.00 C ATOM 40 O SER A 5 -11.110 -4.918 -28.510 1.00 0.00 O ATOM 41 CB SER A 5 -8.951 -5.281 -30.134 1.00 0.00 C ATOM 42 OG SER A 5 -7.876 -5.910 -30.811 1.00 0.00 O ATOM 0 H SER A 5 -10.448 -6.254 -32.609 1.00 0.00 H new ATOM 0 HA SER A 5 -10.225 -6.973 -30.501 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.947 -4.213 -30.351 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.819 -5.388 -29.057 1.00 0.00 H new ATOM 0 HG SER A 5 -7.030 -5.505 -30.529 1.00 0.00 H new ATOM 48 N SER A 6 -12.640 -5.604 -30.011 1.00 0.00 N ATOM 49 CA SER A 6 -13.781 -5.202 -29.196 1.00 0.00 C ATOM 50 C SER A 6 -14.614 -6.415 -28.793 1.00 0.00 C ATOM 51 O SER A 6 -14.919 -7.275 -29.618 1.00 0.00 O ATOM 52 CB SER A 6 -14.652 -4.201 -29.957 1.00 0.00 C ATOM 53 OG SER A 6 -14.176 -2.878 -29.786 1.00 0.00 O ATOM 0 H SER A 6 -12.889 -6.025 -30.906 1.00 0.00 H new ATOM 0 HA SER A 6 -13.401 -4.727 -28.292 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.660 -4.454 -31.017 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.681 -4.269 -29.605 1.00 0.00 H new ATOM 0 HG SER A 6 -14.749 -2.257 -30.284 1.00 0.00 H new ATOM 59 N GLY A 7 -14.978 -6.477 -27.515 1.00 0.00 N ATOM 60 CA GLY A 7 -15.772 -7.588 -27.024 1.00 0.00 C ATOM 61 C GLY A 7 -14.922 -8.678 -26.403 1.00 0.00 C ATOM 62 O GLY A 7 -14.424 -9.562 -27.101 1.00 0.00 O ATOM 0 H GLY A 7 -14.737 -5.778 -26.812 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.485 -7.222 -26.285 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.352 -8.008 -27.846 1.00 0.00 H new ATOM 66 N LYS A 8 -14.752 -8.617 -25.086 1.00 0.00 N ATOM 67 CA LYS A 8 -13.956 -9.606 -24.370 1.00 0.00 C ATOM 68 C LYS A 8 -14.592 -9.947 -23.026 1.00 0.00 C ATOM 69 O LYS A 8 -14.859 -9.076 -22.199 1.00 0.00 O ATOM 70 CB LYS A 8 -12.533 -9.086 -24.155 1.00 0.00 C ATOM 71 CG LYS A 8 -11.818 -8.720 -25.443 1.00 0.00 C ATOM 72 CD LYS A 8 -12.090 -7.279 -25.842 1.00 0.00 C ATOM 73 CE LYS A 8 -11.355 -6.302 -24.937 1.00 0.00 C ATOM 74 NZ LYS A 8 -11.297 -4.936 -25.527 1.00 0.00 N ATOM 0 H LYS A 8 -15.156 -7.892 -24.493 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.918 -10.512 -24.975 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.569 -8.210 -23.508 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.953 -9.845 -23.631 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.745 -8.868 -25.319 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.142 -9.387 -26.242 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.781 -7.122 -26.876 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.161 -7.084 -25.796 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.853 -6.259 -23.969 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.342 -6.664 -24.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.441 -4.450 -25.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.273 -5.007 -26.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.137 -4.396 -25.236 1.00 0.00 H new ATOM 88 N PRO A 9 -14.842 -11.246 -22.802 1.00 0.00 N ATOM 89 CA PRO A 9 -15.448 -11.732 -21.558 1.00 0.00 C ATOM 90 C PRO A 9 -14.506 -11.606 -20.366 1.00 0.00 C ATOM 91 O PRO A 9 -13.389 -12.124 -20.388 1.00 0.00 O ATOM 92 CB PRO A 9 -15.737 -13.205 -21.857 1.00 0.00 C ATOM 93 CG PRO A 9 -14.755 -13.578 -22.914 1.00 0.00 C ATOM 94 CD PRO A 9 -14.550 -12.340 -23.743 1.00 0.00 C ATOM 0 HA PRO A 9 -16.332 -11.156 -21.283 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.613 -13.821 -20.967 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.762 -13.345 -22.202 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.816 -13.913 -22.474 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.131 -14.399 -23.525 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.532 -12.278 -24.127 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.218 -12.318 -24.604 1.00 0.00 H new ATOM 102 N ILE A 10 -14.963 -10.915 -19.327 1.00 0.00 N ATOM 103 CA ILE A 10 -14.161 -10.722 -18.126 1.00 0.00 C ATOM 104 C ILE A 10 -14.757 -11.475 -16.941 1.00 0.00 C ATOM 105 O ILE A 10 -15.933 -11.839 -16.949 1.00 0.00 O ATOM 106 CB ILE A 10 -14.040 -9.231 -17.763 1.00 0.00 C ATOM 107 CG1 ILE A 10 -15.425 -8.628 -17.519 1.00 0.00 C ATOM 108 CG2 ILE A 10 -13.314 -8.475 -18.866 1.00 0.00 C ATOM 109 CD1 ILE A 10 -15.397 -7.368 -16.682 1.00 0.00 C ATOM 0 H ILE A 10 -15.885 -10.480 -19.293 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.168 -11.116 -18.343 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.459 -9.142 -16.845 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.890 -8.406 -18.480 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -16.053 -9.369 -17.024 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.236 -7.422 -18.595 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.315 -8.891 -18.996 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.870 -8.569 -19.799 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.413 -6.996 -16.550 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.962 -7.588 -15.707 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.796 -6.610 -17.185 1.00 0.00 H new ATOM 121 N LYS A 11 -13.937 -11.705 -15.921 1.00 0.00 N ATOM 122 CA LYS A 11 -14.382 -12.412 -14.725 1.00 0.00 C ATOM 123 C LYS A 11 -15.070 -11.459 -13.754 1.00 0.00 C ATOM 124 O LYS A 11 -14.414 -10.665 -13.079 1.00 0.00 O ATOM 125 CB LYS A 11 -13.195 -13.089 -14.037 1.00 0.00 C ATOM 126 CG LYS A 11 -12.899 -14.482 -14.564 1.00 0.00 C ATOM 127 CD LYS A 11 -11.613 -15.039 -13.978 1.00 0.00 C ATOM 128 CE LYS A 11 -11.071 -16.189 -14.814 1.00 0.00 C ATOM 129 NZ LYS A 11 -11.745 -17.476 -14.490 1.00 0.00 N ATOM 0 H LYS A 11 -12.960 -11.412 -15.898 1.00 0.00 H new ATOM 0 HA LYS A 11 -15.100 -13.173 -15.029 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.309 -12.466 -14.163 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.392 -13.149 -12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.728 -15.147 -14.322 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.821 -14.452 -15.651 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.866 -14.247 -13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.795 -15.382 -12.960 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.207 -15.964 -15.872 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.999 -16.288 -14.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.348 -18.234 -15.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.594 -17.704 -13.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.765 -17.390 -14.676 1.00 0.00 H new ATOM 143 N ILE A 12 -16.395 -11.543 -13.688 1.00 0.00 N ATOM 144 CA ILE A 12 -17.171 -10.690 -12.797 1.00 0.00 C ATOM 145 C ILE A 12 -17.222 -11.269 -11.387 1.00 0.00 C ATOM 146 O ILE A 12 -18.169 -11.969 -11.027 1.00 0.00 O ATOM 147 CB ILE A 12 -18.609 -10.497 -13.313 1.00 0.00 C ATOM 148 CG1 ILE A 12 -18.596 -9.784 -14.667 1.00 0.00 C ATOM 149 CG2 ILE A 12 -19.433 -9.713 -12.303 1.00 0.00 C ATOM 150 CD1 ILE A 12 -18.527 -10.729 -15.847 1.00 0.00 C ATOM 0 H ILE A 12 -16.953 -12.193 -14.241 1.00 0.00 H new ATOM 0 HA ILE A 12 -16.670 -9.722 -12.772 1.00 0.00 H new ATOM 0 HB ILE A 12 -19.068 -11.477 -13.444 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -19.493 -9.171 -14.755 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -17.743 -9.107 -14.704 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -20.447 -9.585 -12.682 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -19.465 -10.257 -11.359 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -18.979 -8.735 -12.144 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -18.521 -10.155 -16.773 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -17.616 -11.324 -15.784 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -19.394 -11.390 -15.835 1.00 0.00 H new ATOM 162 N ARG A 13 -16.199 -10.972 -10.594 1.00 0.00 N ATOM 163 CA ARG A 13 -16.127 -11.462 -9.222 1.00 0.00 C ATOM 164 C ARG A 13 -15.478 -10.428 -8.308 1.00 0.00 C ATOM 165 O ARG A 13 -14.591 -9.684 -8.726 1.00 0.00 O ATOM 166 CB ARG A 13 -15.340 -12.773 -9.168 1.00 0.00 C ATOM 167 CG ARG A 13 -15.458 -13.499 -7.837 1.00 0.00 C ATOM 168 CD ARG A 13 -14.281 -14.435 -7.607 1.00 0.00 C ATOM 169 NE ARG A 13 -14.430 -15.690 -8.338 1.00 0.00 N ATOM 170 CZ ARG A 13 -15.329 -16.618 -8.029 1.00 0.00 C ATOM 171 NH1 ARG A 13 -16.155 -16.432 -7.008 1.00 0.00 N ATOM 172 NH2 ARG A 13 -15.403 -17.735 -8.741 1.00 0.00 N ATOM 0 H ARG A 13 -15.408 -10.394 -10.877 1.00 0.00 H new ATOM 0 HA ARG A 13 -17.144 -11.641 -8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -15.691 -13.431 -9.963 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.289 -12.565 -9.367 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.509 -12.771 -7.027 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -16.387 -14.068 -7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.360 -13.942 -7.917 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.187 -14.645 -6.541 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.810 -15.864 -9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.101 -15.575 -6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.844 -17.146 -6.773 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.769 -17.882 -9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.094 -18.447 -8.503 1.00 0.00 H new ATOM 186 N GLY A 14 -15.927 -10.386 -7.057 1.00 0.00 N ATOM 187 CA GLY A 14 -15.379 -9.439 -6.103 1.00 0.00 C ATOM 188 C GLY A 14 -13.872 -9.545 -5.982 1.00 0.00 C ATOM 189 O GLY A 14 -13.338 -10.509 -5.432 1.00 0.00 O ATOM 0 H GLY A 14 -16.660 -10.991 -6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.646 -8.427 -6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.832 -9.609 -5.126 1.00 0.00 H new ATOM 193 N PRO A 15 -13.160 -8.536 -6.506 1.00 0.00 N ATOM 194 CA PRO A 15 -11.695 -8.497 -6.468 1.00 0.00 C ATOM 195 C PRO A 15 -11.158 -8.274 -5.058 1.00 0.00 C ATOM 196 O PRO A 15 -10.945 -7.136 -4.638 1.00 0.00 O ATOM 197 CB PRO A 15 -11.348 -7.308 -7.367 1.00 0.00 C ATOM 198 CG PRO A 15 -12.552 -6.432 -7.318 1.00 0.00 C ATOM 199 CD PRO A 15 -13.730 -7.356 -7.176 1.00 0.00 C ATOM 0 HA PRO A 15 -11.253 -9.438 -6.795 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.463 -6.784 -7.007 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.135 -7.631 -8.386 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -12.496 -5.739 -6.479 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.634 -5.831 -8.223 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.526 -6.904 -6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -14.159 -7.612 -8.145 1.00 0.00 H new ATOM 207 N SER A 16 -10.940 -9.366 -4.332 1.00 0.00 N ATOM 208 CA SER A 16 -10.431 -9.288 -2.968 1.00 0.00 C ATOM 209 C SER A 16 -9.044 -9.917 -2.870 1.00 0.00 C ATOM 210 O SER A 16 -8.742 -10.636 -1.917 1.00 0.00 O ATOM 211 CB SER A 16 -11.390 -9.987 -2.003 1.00 0.00 C ATOM 212 OG SER A 16 -12.676 -9.395 -2.043 1.00 0.00 O ATOM 0 H SER A 16 -11.108 -10.315 -4.666 1.00 0.00 H new ATOM 0 HA SER A 16 -10.354 -8.236 -2.694 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.465 -11.043 -2.261 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.993 -9.934 -0.989 1.00 0.00 H new ATOM 0 HG SER A 16 -12.748 -8.720 -1.336 1.00 0.00 H new ATOM 218 N HIS A 17 -8.204 -9.640 -3.862 1.00 0.00 N ATOM 219 CA HIS A 17 -6.848 -10.177 -3.888 1.00 0.00 C ATOM 220 C HIS A 17 -5.991 -9.541 -2.798 1.00 0.00 C ATOM 221 O HIS A 17 -6.131 -8.355 -2.497 1.00 0.00 O ATOM 222 CB HIS A 17 -6.210 -9.942 -5.257 1.00 0.00 C ATOM 223 CG HIS A 17 -7.139 -10.202 -6.403 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.500 -9.232 -7.314 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.780 -11.331 -6.785 1.00 0.00 C ATOM 226 CE1 HIS A 17 -8.324 -9.752 -8.205 1.00 0.00 C ATOM 227 NE2 HIS A 17 -8.510 -11.025 -7.907 1.00 0.00 N ATOM 0 H HIS A 17 -8.438 -9.047 -4.658 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.905 -11.249 -3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.857 -8.912 -5.312 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.335 -10.584 -5.356 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.727 -12.294 -6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.770 -9.226 -9.036 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.100 -11.675 -8.426 1.00 0.00 H new ATOM 236 N CYS A 18 -5.103 -10.336 -2.210 1.00 0.00 N ATOM 237 CA CYS A 18 -4.224 -9.852 -1.153 1.00 0.00 C ATOM 238 C CYS A 18 -3.486 -8.591 -1.594 1.00 0.00 C ATOM 239 O CYS A 18 -2.870 -8.560 -2.659 1.00 0.00 O ATOM 240 CB CYS A 18 -3.216 -10.935 -0.763 1.00 0.00 C ATOM 241 SG CYS A 18 -2.140 -10.481 0.634 1.00 0.00 S ATOM 0 H CYS A 18 -4.973 -11.319 -2.448 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.839 -9.608 -0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.758 -11.846 -0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.593 -11.165 -1.628 1.00 0.00 H new ATOM 246 N ALA A 19 -3.554 -7.553 -0.767 1.00 0.00 N ATOM 247 CA ALA A 19 -2.891 -6.290 -1.070 1.00 0.00 C ATOM 248 C ALA A 19 -1.412 -6.346 -0.706 1.00 0.00 C ATOM 249 O ALA A 19 -0.753 -5.314 -0.585 1.00 0.00 O ATOM 250 CB ALA A 19 -3.575 -5.146 -0.336 1.00 0.00 C ATOM 0 H ALA A 19 -4.061 -7.562 0.118 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.967 -6.116 -2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.070 -4.209 -0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.617 -5.085 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.528 -5.324 0.738 1.00 0.00 H new ATOM 256 N GLY A 20 -0.894 -7.559 -0.534 1.00 0.00 N ATOM 257 CA GLY A 20 0.504 -7.726 -0.185 1.00 0.00 C ATOM 258 C GLY A 20 1.249 -8.598 -1.176 1.00 0.00 C ATOM 259 O GLY A 20 2.399 -8.320 -1.517 1.00 0.00 O ATOM 0 H GLY A 20 -1.418 -8.429 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.982 -6.748 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.577 -8.167 0.809 1.00 0.00 H new ATOM 263 N CYS A 21 0.594 -9.657 -1.639 1.00 0.00 N ATOM 264 CA CYS A 21 1.201 -10.574 -2.596 1.00 0.00 C ATOM 265 C CYS A 21 0.362 -10.668 -3.867 1.00 0.00 C ATOM 266 O CYS A 21 0.743 -11.338 -4.828 1.00 0.00 O ATOM 267 CB CYS A 21 1.359 -11.963 -1.973 1.00 0.00 C ATOM 268 SG CYS A 21 -0.214 -12.742 -1.485 1.00 0.00 S ATOM 0 H CYS A 21 -0.358 -9.902 -1.367 1.00 0.00 H new ATOM 0 HA CYS A 21 2.185 -10.186 -2.859 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.869 -12.613 -2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.001 -11.885 -1.096 1.00 0.00 H new ATOM 273 N LYS A 22 -0.781 -9.991 -3.867 1.00 0.00 N ATOM 274 CA LYS A 22 -1.674 -9.995 -5.019 1.00 0.00 C ATOM 275 C LYS A 22 -2.172 -11.405 -5.317 1.00 0.00 C ATOM 276 O LYS A 22 -2.050 -11.891 -6.441 1.00 0.00 O ATOM 277 CB LYS A 22 -0.958 -9.425 -6.247 1.00 0.00 C ATOM 278 CG LYS A 22 -0.952 -7.907 -6.297 1.00 0.00 C ATOM 279 CD LYS A 22 0.061 -7.321 -5.328 1.00 0.00 C ATOM 280 CE LYS A 22 0.021 -5.800 -5.332 1.00 0.00 C ATOM 281 NZ LYS A 22 -1.080 -5.271 -4.481 1.00 0.00 N ATOM 0 H LYS A 22 -1.111 -9.432 -3.080 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.534 -9.368 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.071 -9.785 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.438 -9.808 -7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.721 -7.576 -7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.946 -7.530 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.141 -7.689 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.061 -7.660 -5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.975 -5.411 -4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.107 -5.443 -6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.073 -4.231 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.992 -5.621 -4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.945 -5.590 -3.500 1.00 0.00 H new ATOM 295 N GLU A 23 -2.733 -12.056 -4.303 1.00 0.00 N ATOM 296 CA GLU A 23 -3.250 -13.411 -4.458 1.00 0.00 C ATOM 297 C GLU A 23 -4.698 -13.499 -3.985 1.00 0.00 C ATOM 298 O GLU A 23 -5.040 -13.009 -2.909 1.00 0.00 O ATOM 299 CB GLU A 23 -2.385 -14.403 -3.677 1.00 0.00 C ATOM 300 CG GLU A 23 -1.074 -14.742 -4.367 1.00 0.00 C ATOM 301 CD GLU A 23 -0.548 -16.110 -3.978 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.371 -17.020 -3.750 1.00 0.00 O ATOM 303 OE2 GLU A 23 0.689 -16.269 -3.903 1.00 0.00 O ATOM 0 H GLU A 23 -2.841 -11.668 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.216 -13.666 -5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.171 -13.988 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.951 -15.321 -3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.216 -14.705 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.330 -13.986 -4.117 1.00 0.00 H new ATOM 310 N GLU A 24 -5.543 -14.125 -4.797 1.00 0.00 N ATOM 311 CA GLU A 24 -6.954 -14.276 -4.462 1.00 0.00 C ATOM 312 C GLU A 24 -7.122 -14.933 -3.095 1.00 0.00 C ATOM 313 O GLU A 24 -6.611 -16.027 -2.853 1.00 0.00 O ATOM 314 CB GLU A 24 -7.669 -15.106 -5.530 1.00 0.00 C ATOM 315 CG GLU A 24 -9.166 -15.235 -5.300 1.00 0.00 C ATOM 316 CD GLU A 24 -9.749 -16.482 -5.935 1.00 0.00 C ATOM 317 OE1 GLU A 24 -9.249 -17.587 -5.638 1.00 0.00 O ATOM 318 OE2 GLU A 24 -10.704 -16.353 -6.729 1.00 0.00 O ATOM 0 H GLU A 24 -5.275 -14.536 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.400 -13.282 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.498 -14.652 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.227 -16.102 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.365 -15.251 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.669 -14.357 -5.705 1.00 0.00 H new ATOM 325 N ILE A 25 -7.839 -14.256 -2.204 1.00 0.00 N ATOM 326 CA ILE A 25 -8.074 -14.774 -0.862 1.00 0.00 C ATOM 327 C ILE A 25 -9.363 -15.588 -0.804 1.00 0.00 C ATOM 328 O ILE A 25 -10.427 -15.063 -0.477 1.00 0.00 O ATOM 329 CB ILE A 25 -8.152 -13.637 0.174 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.879 -12.789 0.130 1.00 0.00 C ATOM 331 CG2 ILE A 25 -8.368 -14.205 1.569 1.00 0.00 C ATOM 332 CD1 ILE A 25 -7.066 -11.389 0.669 1.00 0.00 C ATOM 0 H ILE A 25 -8.267 -13.348 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.229 -15.419 -0.620 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.000 -12.999 -0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.099 -13.289 0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.528 -12.729 -0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.421 -13.389 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.300 -14.770 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.538 -14.863 1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.123 -10.846 0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.823 -10.871 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.387 -11.440 1.709 1.00 0.00 H new ATOM 344 N LYS A 26 -9.258 -16.873 -1.123 1.00 0.00 N ATOM 345 CA LYS A 26 -10.414 -17.763 -1.104 1.00 0.00 C ATOM 346 C LYS A 26 -10.104 -19.041 -0.331 1.00 0.00 C ATOM 347 O LYS A 26 -10.864 -19.444 0.550 1.00 0.00 O ATOM 348 CB LYS A 26 -10.839 -18.108 -2.533 1.00 0.00 C ATOM 349 CG LYS A 26 -12.073 -18.992 -2.603 1.00 0.00 C ATOM 350 CD LYS A 26 -13.338 -18.208 -2.296 1.00 0.00 C ATOM 351 CE LYS A 26 -14.503 -19.133 -1.977 1.00 0.00 C ATOM 352 NZ LYS A 26 -15.191 -19.604 -3.211 1.00 0.00 N ATOM 0 H LYS A 26 -8.384 -17.322 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.232 -17.246 -0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.032 -17.185 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.013 -18.610 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.150 -19.434 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.973 -19.815 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.159 -17.542 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.594 -17.579 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.141 -19.992 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.217 -18.611 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.979 -20.232 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.559 -18.786 -3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.516 -20.124 -3.808 1.00 0.00 H new ATOM 366 N HIS A 27 -8.984 -19.673 -0.666 1.00 0.00 N ATOM 367 CA HIS A 27 -8.573 -20.905 -0.001 1.00 0.00 C ATOM 368 C HIS A 27 -7.790 -20.600 1.272 1.00 0.00 C ATOM 369 O HIS A 27 -6.653 -21.040 1.433 1.00 0.00 O ATOM 370 CB HIS A 27 -7.725 -21.759 -0.944 1.00 0.00 C ATOM 371 CG HIS A 27 -6.671 -20.983 -1.670 1.00 0.00 C ATOM 372 ND1 HIS A 27 -6.734 -20.709 -3.020 1.00 0.00 N ATOM 373 CD2 HIS A 27 -5.522 -20.420 -1.227 1.00 0.00 C ATOM 374 CE1 HIS A 27 -5.670 -20.012 -3.376 1.00 0.00 C ATOM 375 NE2 HIS A 27 -4.918 -19.823 -2.306 1.00 0.00 N ATOM 0 H HIS A 27 -8.345 -19.353 -1.394 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.471 -21.460 0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.249 -22.555 -0.371 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.378 -22.238 -1.673 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.150 -20.437 -0.213 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.452 -19.657 -4.372 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.033 -19.316 -2.285 1.00 0.00 H new ATOM 384 N GLY A 28 -8.407 -19.843 2.174 1.00 0.00 N ATOM 385 CA GLY A 28 -7.752 -19.491 3.420 1.00 0.00 C ATOM 386 C GLY A 28 -8.501 -18.418 4.186 1.00 0.00 C ATOM 387 O GLY A 28 -9.689 -18.566 4.472 1.00 0.00 O ATOM 0 H GLY A 28 -9.349 -19.467 2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.661 -20.381 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.740 -19.144 3.210 1.00 0.00 H new ATOM 391 N GLN A 29 -7.804 -17.337 4.520 1.00 0.00 N ATOM 392 CA GLN A 29 -8.411 -16.236 5.259 1.00 0.00 C ATOM 393 C GLN A 29 -7.710 -14.918 4.946 1.00 0.00 C ATOM 394 O GLN A 29 -6.626 -14.903 4.363 1.00 0.00 O ATOM 395 CB GLN A 29 -8.354 -16.512 6.763 1.00 0.00 C ATOM 396 CG GLN A 29 -6.983 -16.950 7.250 1.00 0.00 C ATOM 397 CD GLN A 29 -6.776 -18.448 7.141 1.00 0.00 C ATOM 398 OE1 GLN A 29 -6.035 -18.924 6.281 1.00 0.00 O ATOM 399 NE2 GLN A 29 -7.432 -19.202 8.017 1.00 0.00 N ATOM 0 H GLN A 29 -6.820 -17.200 4.291 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.453 -16.155 4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.651 -15.611 7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.082 -17.285 7.010 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.215 -16.438 6.670 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.856 -16.644 8.288 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.036 -18.766 8.714 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.331 -20.217 7.993 1.00 0.00 H new ATOM 408 N SER A 30 -8.338 -13.813 5.336 1.00 0.00 N ATOM 409 CA SER A 30 -7.777 -12.489 5.092 1.00 0.00 C ATOM 410 C SER A 30 -7.690 -11.689 6.388 1.00 0.00 C ATOM 411 O SER A 30 -8.058 -12.176 7.458 1.00 0.00 O ATOM 412 CB SER A 30 -8.625 -11.733 4.068 1.00 0.00 C ATOM 413 OG SER A 30 -9.980 -11.667 4.478 1.00 0.00 O ATOM 0 H SER A 30 -9.235 -13.808 5.822 1.00 0.00 H new ATOM 0 HA SER A 30 -6.770 -12.616 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.231 -10.725 3.938 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.558 -12.228 3.099 1.00 0.00 H new ATOM 0 HG SER A 30 -10.387 -10.845 4.132 1.00 0.00 H new ATOM 419 N LEU A 31 -7.201 -10.458 6.284 1.00 0.00 N ATOM 420 CA LEU A 31 -7.065 -9.588 7.448 1.00 0.00 C ATOM 421 C LEU A 31 -7.471 -8.158 7.108 1.00 0.00 C ATOM 422 O LEU A 31 -6.862 -7.515 6.252 1.00 0.00 O ATOM 423 CB LEU A 31 -5.625 -9.613 7.962 1.00 0.00 C ATOM 424 CG LEU A 31 -5.430 -9.232 9.430 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.025 -9.585 9.892 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.705 -7.750 9.638 1.00 0.00 C ATOM 0 H LEU A 31 -6.892 -10.040 5.406 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.729 -9.959 8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.224 -10.615 7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.030 -8.936 7.349 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.141 -9.801 10.030 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.905 -9.306 10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.864 -10.657 9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.297 -9.045 9.287 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.561 -7.497 10.688 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.019 -7.163 9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.732 -7.526 9.348 1.00 0.00 H new ATOM 438 N LEU A 32 -8.502 -7.664 7.786 1.00 0.00 N ATOM 439 CA LEU A 32 -8.988 -6.308 7.558 1.00 0.00 C ATOM 440 C LEU A 32 -7.987 -5.277 8.068 1.00 0.00 C ATOM 441 O LEU A 32 -7.643 -5.264 9.250 1.00 0.00 O ATOM 442 CB LEU A 32 -10.340 -6.108 8.246 1.00 0.00 C ATOM 443 CG LEU A 32 -11.575 -6.462 7.417 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.675 -5.559 6.197 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.535 -7.924 6.999 1.00 0.00 C ATOM 0 H LEU A 32 -9.017 -8.182 8.498 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.109 -6.168 6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.354 -6.708 9.156 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.419 -5.064 8.551 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.460 -6.305 8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.560 -5.825 5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.751 -4.520 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.786 -5.684 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.422 -8.158 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.643 -8.107 6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.512 -8.556 7.887 1.00 0.00 H new ATOM 457 N ALA A 33 -7.524 -4.414 7.170 1.00 0.00 N ATOM 458 CA ALA A 33 -6.565 -3.377 7.531 1.00 0.00 C ATOM 459 C ALA A 33 -6.439 -2.337 6.422 1.00 0.00 C ATOM 460 O ALA A 33 -6.396 -2.678 5.239 1.00 0.00 O ATOM 461 CB ALA A 33 -5.209 -3.995 7.835 1.00 0.00 C ATOM 0 H ALA A 33 -7.797 -4.412 6.187 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.930 -2.873 8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.503 -3.209 8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.306 -4.694 8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.845 -4.525 6.955 1.00 0.00 H new ATOM 467 N LEU A 34 -6.381 -1.069 6.812 1.00 0.00 N ATOM 468 CA LEU A 34 -6.260 0.022 5.850 1.00 0.00 C ATOM 469 C LEU A 34 -7.302 -0.109 4.744 1.00 0.00 C ATOM 470 O LEU A 34 -7.013 0.137 3.573 1.00 0.00 O ATOM 471 CB LEU A 34 -4.855 0.040 5.244 1.00 0.00 C ATOM 472 CG LEU A 34 -3.713 0.371 6.205 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.389 -0.829 7.082 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.480 0.818 5.434 1.00 0.00 C ATOM 0 H LEU A 34 -6.416 -0.770 7.787 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.434 0.960 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.659 -0.937 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.841 0.766 4.431 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.032 1.191 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.574 -0.575 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.270 -1.105 7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.091 -1.669 6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.677 1.049 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.159 0.019 4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.719 1.706 4.849 1.00 0.00 H new ATOM 486 N ASP A 35 -8.514 -0.496 5.124 1.00 0.00 N ATOM 487 CA ASP A 35 -9.602 -0.656 4.166 1.00 0.00 C ATOM 488 C ASP A 35 -9.199 -1.605 3.041 1.00 0.00 C ATOM 489 O ASP A 35 -9.714 -1.519 1.926 1.00 0.00 O ATOM 490 CB ASP A 35 -10.002 0.701 3.585 1.00 0.00 C ATOM 491 CG ASP A 35 -11.302 0.637 2.807 1.00 0.00 C ATOM 492 OD1 ASP A 35 -12.151 -0.217 3.138 1.00 0.00 O ATOM 493 OD2 ASP A 35 -11.470 1.441 1.867 1.00 0.00 O ATOM 0 H ASP A 35 -8.768 -0.705 6.089 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.456 -1.084 4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.101 1.424 4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.208 1.061 2.931 1.00 0.00 H new ATOM 498 N LYS A 36 -8.273 -2.510 3.341 1.00 0.00 N ATOM 499 CA LYS A 36 -7.800 -3.476 2.357 1.00 0.00 C ATOM 500 C LYS A 36 -7.861 -4.895 2.914 1.00 0.00 C ATOM 501 O LYS A 36 -8.201 -5.099 4.079 1.00 0.00 O ATOM 502 CB LYS A 36 -6.368 -3.144 1.933 1.00 0.00 C ATOM 503 CG LYS A 36 -6.287 -2.241 0.715 1.00 0.00 C ATOM 504 CD LYS A 36 -4.924 -1.579 0.600 1.00 0.00 C ATOM 505 CE LYS A 36 -4.829 -0.343 1.482 1.00 0.00 C ATOM 506 NZ LYS A 36 -5.699 0.759 0.986 1.00 0.00 N ATOM 0 H LYS A 36 -7.835 -2.594 4.258 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.453 -3.418 1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.854 -2.664 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.836 -4.072 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.486 -2.823 -0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.060 -1.475 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.148 -2.290 0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.739 -1.302 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.115 -0.601 2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.795 -0.001 1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.131 1.621 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.118 0.487 0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.457 0.940 1.675 1.00 0.00 H new ATOM 520 N GLN A 37 -7.529 -5.870 2.075 1.00 0.00 N ATOM 521 CA GLN A 37 -7.545 -7.269 2.485 1.00 0.00 C ATOM 522 C GLN A 37 -6.163 -7.897 2.336 1.00 0.00 C ATOM 523 O GLN A 37 -5.640 -8.013 1.227 1.00 0.00 O ATOM 524 CB GLN A 37 -8.566 -8.053 1.659 1.00 0.00 C ATOM 525 CG GLN A 37 -9.994 -7.911 2.162 1.00 0.00 C ATOM 526 CD GLN A 37 -11.007 -8.547 1.230 1.00 0.00 C ATOM 527 OE1 GLN A 37 -11.509 -7.903 0.309 1.00 0.00 O ATOM 528 NE2 GLN A 37 -11.313 -9.817 1.466 1.00 0.00 N ATOM 0 H GLN A 37 -7.246 -5.717 1.107 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.830 -7.309 3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.519 -7.716 0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.291 -9.108 1.663 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.075 -8.369 3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.230 -6.854 2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.872 -10.312 2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.989 -10.298 0.872 1.00 0.00 H new ATOM 537 N TRP A 38 -5.578 -8.300 3.457 1.00 0.00 N ATOM 538 CA TRP A 38 -4.255 -8.916 3.451 1.00 0.00 C ATOM 539 C TRP A 38 -4.292 -10.290 4.109 1.00 0.00 C ATOM 540 O TRP A 38 -5.142 -10.561 4.958 1.00 0.00 O ATOM 541 CB TRP A 38 -3.249 -8.018 4.172 1.00 0.00 C ATOM 542 CG TRP A 38 -3.486 -6.556 3.943 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.597 -5.841 4.292 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.593 -5.631 3.313 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.448 -4.528 3.917 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.227 -4.373 3.315 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.319 -5.742 2.750 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.629 -3.238 2.774 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.728 -4.615 2.213 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.382 -3.376 2.229 1.00 0.00 C ATOM 0 H TRP A 38 -5.998 -8.212 4.382 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.943 -9.039 2.414 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.292 -8.222 5.242 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.243 -8.272 3.839 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.465 -6.248 4.790 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.135 -3.788 4.063 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.806 -6.692 2.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.132 -2.282 2.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.255 -4.690 1.773 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.892 -2.513 1.803 1.00 0.00 H new ATOM 561 N HIS A 39 -3.365 -11.156 3.712 1.00 0.00 N ATOM 562 CA HIS A 39 -3.291 -12.504 4.265 1.00 0.00 C ATOM 563 C HIS A 39 -2.857 -12.469 5.727 1.00 0.00 C ATOM 564 O HIS A 39 -2.427 -11.432 6.233 1.00 0.00 O ATOM 565 CB HIS A 39 -2.318 -13.359 3.452 1.00 0.00 C ATOM 566 CG HIS A 39 -2.871 -13.808 2.135 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.078 -14.097 1.045 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.147 -14.018 1.736 1.00 0.00 C ATOM 569 CE1 HIS A 39 -2.842 -14.464 0.032 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.102 -14.425 0.425 1.00 0.00 N ATOM 0 H HIS A 39 -2.655 -10.949 3.010 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.285 -12.947 4.210 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.405 -12.790 3.278 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.040 -14.235 4.038 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -1.060 -14.037 1.024 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.035 -13.889 2.337 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.495 -14.748 -0.951 1.00 0.00 H new ATOM 578 N VAL A 40 -2.973 -13.608 6.402 1.00 0.00 N ATOM 579 CA VAL A 40 -2.592 -13.708 7.806 1.00 0.00 C ATOM 580 C VAL A 40 -1.076 -13.730 7.963 1.00 0.00 C ATOM 581 O VAL A 40 -0.554 -13.597 9.071 1.00 0.00 O ATOM 582 CB VAL A 40 -3.184 -14.970 8.460 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.819 -15.028 9.935 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.694 -15.008 8.274 1.00 0.00 C ATOM 0 H VAL A 40 -3.328 -14.475 5.999 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.993 -12.827 8.307 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.758 -15.846 7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.246 -15.927 10.380 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.734 -15.051 10.041 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.215 -14.148 10.443 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.096 -15.907 8.742 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.140 -14.127 8.736 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.929 -15.017 7.210 1.00 0.00 H new ATOM 594 N SER A 41 -0.373 -13.899 6.848 1.00 0.00 N ATOM 595 CA SER A 41 1.085 -13.943 6.863 1.00 0.00 C ATOM 596 C SER A 41 1.669 -12.907 5.907 1.00 0.00 C ATOM 597 O SER A 41 2.832 -12.995 5.513 1.00 0.00 O ATOM 598 CB SER A 41 1.578 -15.340 6.481 1.00 0.00 C ATOM 599 OG SER A 41 0.875 -16.342 7.195 1.00 0.00 O ATOM 0 H SER A 41 -0.789 -14.008 5.923 1.00 0.00 H new ATOM 0 HA SER A 41 1.421 -13.710 7.874 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.449 -15.494 5.410 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.645 -15.422 6.689 1.00 0.00 H new ATOM 0 HG SER A 41 1.207 -17.225 6.932 1.00 0.00 H new ATOM 605 N CYS A 42 0.853 -11.925 5.538 1.00 0.00 N ATOM 606 CA CYS A 42 1.286 -10.871 4.629 1.00 0.00 C ATOM 607 C CYS A 42 1.178 -9.501 5.293 1.00 0.00 C ATOM 608 O CYS A 42 1.968 -8.600 5.013 1.00 0.00 O ATOM 609 CB CYS A 42 0.448 -10.897 3.349 1.00 0.00 C ATOM 610 SG CYS A 42 0.878 -12.248 2.206 1.00 0.00 S ATOM 0 H CYS A 42 -0.113 -11.838 5.855 1.00 0.00 H new ATOM 0 HA CYS A 42 2.331 -11.051 4.375 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.605 -10.985 3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.566 -9.945 2.831 1.00 0.00 H new ATOM 615 N PHE A 43 0.195 -9.353 6.175 1.00 0.00 N ATOM 616 CA PHE A 43 -0.017 -8.094 6.879 1.00 0.00 C ATOM 617 C PHE A 43 1.074 -7.863 7.920 1.00 0.00 C ATOM 618 O PHE A 43 0.883 -8.131 9.107 1.00 0.00 O ATOM 619 CB PHE A 43 -1.391 -8.087 7.553 1.00 0.00 C ATOM 620 CG PHE A 43 -1.797 -6.737 8.073 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.619 -5.601 7.300 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.355 -6.606 9.334 1.00 0.00 C ATOM 623 CE1 PHE A 43 -1.992 -4.358 7.776 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.730 -5.365 9.814 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.547 -4.240 9.035 1.00 0.00 C ATOM 0 H PHE A 43 -0.467 -10.089 6.419 1.00 0.00 H new ATOM 0 HA PHE A 43 0.026 -7.286 6.148 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.139 -8.432 6.839 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.386 -8.799 8.378 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.184 -5.688 6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.499 -7.482 9.949 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.849 -3.480 7.164 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.166 -5.276 10.798 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.837 -3.270 9.410 1.00 0.00 H new ATOM 635 N LYS A 44 2.219 -7.363 7.468 1.00 0.00 N ATOM 636 CA LYS A 44 3.342 -7.095 8.358 1.00 0.00 C ATOM 637 C LYS A 44 3.872 -5.679 8.153 1.00 0.00 C ATOM 638 O LYS A 44 3.608 -5.049 7.129 1.00 0.00 O ATOM 639 CB LYS A 44 4.462 -8.110 8.121 1.00 0.00 C ATOM 640 CG LYS A 44 4.584 -8.553 6.673 1.00 0.00 C ATOM 641 CD LYS A 44 4.905 -7.384 5.757 1.00 0.00 C ATOM 642 CE LYS A 44 5.490 -7.857 4.435 1.00 0.00 C ATOM 643 NZ LYS A 44 5.682 -6.730 3.480 1.00 0.00 N ATOM 0 H LYS A 44 2.394 -7.135 6.489 1.00 0.00 H new ATOM 0 HA LYS A 44 2.989 -7.187 9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.409 -7.675 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.286 -8.985 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.365 -9.309 6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.652 -9.020 6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.999 -6.807 5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.611 -6.717 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.447 -8.347 4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.829 -8.601 3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.082 -7.092 2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.765 -6.278 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.333 -6.032 3.893 1.00 0.00 H new ATOM 657 N CYS A 45 4.623 -5.186 9.132 1.00 0.00 N ATOM 658 CA CYS A 45 5.192 -3.845 9.059 1.00 0.00 C ATOM 659 C CYS A 45 5.784 -3.580 7.678 1.00 0.00 C ATOM 660 O CYS A 45 5.949 -4.500 6.877 1.00 0.00 O ATOM 661 CB CYS A 45 6.269 -3.667 10.131 1.00 0.00 C ATOM 662 SG CYS A 45 6.740 -1.932 10.430 1.00 0.00 S ATOM 0 H CYS A 45 4.852 -5.695 9.986 1.00 0.00 H new ATOM 0 HA CYS A 45 4.391 -3.127 9.235 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.913 -4.102 11.065 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.156 -4.228 9.836 1.00 0.00 H new ATOM 667 N GLN A 46 6.102 -2.318 7.409 1.00 0.00 N ATOM 668 CA GLN A 46 6.676 -1.933 6.125 1.00 0.00 C ATOM 669 C GLN A 46 8.161 -1.613 6.266 1.00 0.00 C ATOM 670 O GLN A 46 8.886 -1.528 5.275 1.00 0.00 O ATOM 671 CB GLN A 46 5.934 -0.724 5.554 1.00 0.00 C ATOM 672 CG GLN A 46 6.618 -0.106 4.345 1.00 0.00 C ATOM 673 CD GLN A 46 6.662 -1.045 3.156 1.00 0.00 C ATOM 674 OE1 GLN A 46 7.736 -1.390 2.662 1.00 0.00 O ATOM 675 NE2 GLN A 46 5.492 -1.465 2.689 1.00 0.00 N ATOM 0 H GLN A 46 5.972 -1.545 8.062 1.00 0.00 H new ATOM 0 HA GLN A 46 6.568 -2.774 5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.925 -1.026 5.275 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.836 0.033 6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.094 0.807 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.635 0.181 4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.626 -1.154 3.129 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.459 -2.099 1.890 1.00 0.00 H new ATOM 684 N THR A 47 8.608 -1.436 7.506 1.00 0.00 N ATOM 685 CA THR A 47 10.005 -1.124 7.777 1.00 0.00 C ATOM 686 C THR A 47 10.749 -2.346 8.304 1.00 0.00 C ATOM 687 O THR A 47 11.910 -2.574 7.961 1.00 0.00 O ATOM 688 CB THR A 47 10.137 0.023 8.797 1.00 0.00 C ATOM 689 OG1 THR A 47 9.729 1.259 8.201 1.00 0.00 O ATOM 690 CG2 THR A 47 11.570 0.143 9.294 1.00 0.00 C ATOM 0 H THR A 47 8.022 -1.504 8.338 1.00 0.00 H new ATOM 0 HA THR A 47 10.448 -0.812 6.831 1.00 0.00 H new ATOM 0 HB THR A 47 9.492 -0.200 9.646 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.224 1.999 8.611 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.639 0.959 10.013 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.868 -0.789 9.774 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.232 0.345 8.452 1.00 0.00 H new ATOM 698 N CYS A 48 10.074 -3.129 9.138 1.00 0.00 N ATOM 699 CA CYS A 48 10.671 -4.329 9.713 1.00 0.00 C ATOM 700 C CYS A 48 10.032 -5.586 9.131 1.00 0.00 C ATOM 701 O CYS A 48 10.595 -6.678 9.215 1.00 0.00 O ATOM 702 CB CYS A 48 10.515 -4.323 11.235 1.00 0.00 C ATOM 703 SG CYS A 48 8.797 -4.517 11.807 1.00 0.00 S ATOM 0 H CYS A 48 9.113 -2.954 9.431 1.00 0.00 H new ATOM 0 HA CYS A 48 11.732 -4.332 9.463 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.119 -5.127 11.655 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.914 -3.387 11.627 1.00 0.00 H new ATOM 708 N SER A 49 8.853 -5.425 8.539 1.00 0.00 N ATOM 709 CA SER A 49 8.135 -6.547 7.946 1.00 0.00 C ATOM 710 C SER A 49 7.794 -7.594 9.002 1.00 0.00 C ATOM 711 O SER A 49 8.034 -8.786 8.811 1.00 0.00 O ATOM 712 CB SER A 49 8.970 -7.183 6.833 1.00 0.00 C ATOM 713 OG SER A 49 9.903 -8.109 7.361 1.00 0.00 O ATOM 0 H SER A 49 8.375 -4.528 8.457 1.00 0.00 H new ATOM 0 HA SER A 49 7.205 -6.168 7.522 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.313 -7.688 6.125 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.498 -6.406 6.280 1.00 0.00 H new ATOM 0 HG SER A 49 10.462 -7.664 8.031 1.00 0.00 H new ATOM 719 N VAL A 50 7.233 -7.138 10.118 1.00 0.00 N ATOM 720 CA VAL A 50 6.857 -8.034 11.205 1.00 0.00 C ATOM 721 C VAL A 50 5.346 -8.231 11.258 1.00 0.00 C ATOM 722 O VAL A 50 4.590 -7.271 11.408 1.00 0.00 O ATOM 723 CB VAL A 50 7.342 -7.499 12.566 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.466 -6.345 13.029 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.360 -8.614 13.600 1.00 0.00 C ATOM 0 H VAL A 50 7.029 -6.154 10.293 1.00 0.00 H new ATOM 0 HA VAL A 50 7.338 -8.992 11.006 1.00 0.00 H new ATOM 0 HB VAL A 50 8.360 -7.126 12.449 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.824 -5.980 13.992 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.509 -5.539 12.297 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.436 -6.688 13.131 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.705 -8.219 14.555 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.355 -9.018 13.716 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.033 -9.405 13.270 1.00 0.00 H new ATOM 735 N ILE A 51 4.914 -9.481 11.134 1.00 0.00 N ATOM 736 CA ILE A 51 3.493 -9.804 11.169 1.00 0.00 C ATOM 737 C ILE A 51 2.762 -8.958 12.207 1.00 0.00 C ATOM 738 O ILE A 51 3.246 -8.772 13.325 1.00 0.00 O ATOM 739 CB ILE A 51 3.262 -11.294 11.483 1.00 0.00 C ATOM 740 CG1 ILE A 51 3.940 -12.171 10.428 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.772 -11.596 11.553 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.334 -12.034 9.049 1.00 0.00 C ATOM 0 H ILE A 51 5.527 -10.286 11.008 1.00 0.00 H new ATOM 0 HA ILE A 51 3.095 -9.584 10.178 1.00 0.00 H new ATOM 0 HB ILE A 51 3.704 -11.518 12.454 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.998 -11.913 10.378 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.880 -13.213 10.741 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.625 -12.653 11.776 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.315 -10.993 12.338 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.307 -11.359 10.596 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.864 -12.684 8.353 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.283 -12.320 9.084 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.418 -11.000 8.716 1.00 0.00 H new ATOM 754 N LEU A 52 1.594 -8.449 11.831 1.00 0.00 N ATOM 755 CA LEU A 52 0.795 -7.624 12.730 1.00 0.00 C ATOM 756 C LEU A 52 -0.601 -8.212 12.911 1.00 0.00 C ATOM 757 O LEU A 52 -1.439 -8.140 12.011 1.00 0.00 O ATOM 758 CB LEU A 52 0.693 -6.197 12.190 1.00 0.00 C ATOM 759 CG LEU A 52 2.020 -5.491 11.905 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.804 -4.301 10.983 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.679 -5.051 13.204 1.00 0.00 C ATOM 0 H LEU A 52 1.179 -8.593 10.910 1.00 0.00 H new ATOM 0 HA LEU A 52 1.290 -7.604 13.701 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.111 -6.219 11.269 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.132 -5.598 12.907 1.00 0.00 H new ATOM 0 HG LEU A 52 2.685 -6.195 11.405 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.759 -3.811 10.791 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.376 -4.644 10.041 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.122 -3.594 11.455 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.622 -4.551 12.982 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.019 -4.363 13.732 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.869 -5.923 13.829 1.00 0.00 H new ATOM 773 N THR A 53 -0.847 -8.791 14.082 1.00 0.00 N ATOM 774 CA THR A 53 -2.141 -9.390 14.383 1.00 0.00 C ATOM 775 C THR A 53 -2.741 -8.796 15.652 1.00 0.00 C ATOM 776 O THR A 53 -3.944 -8.552 15.727 1.00 0.00 O ATOM 777 CB THR A 53 -2.029 -10.918 14.547 1.00 0.00 C ATOM 778 OG1 THR A 53 -3.174 -11.421 15.245 1.00 0.00 O ATOM 779 CG2 THR A 53 -0.764 -11.288 15.306 1.00 0.00 C ATOM 0 H THR A 53 -0.166 -8.858 14.838 1.00 0.00 H new ATOM 0 HA THR A 53 -2.794 -9.170 13.539 1.00 0.00 H new ATOM 0 HB THR A 53 -1.983 -11.366 13.554 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.096 -12.393 15.344 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.706 -12.371 15.410 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.107 -10.929 14.758 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.786 -10.829 16.295 1.00 0.00 H new ATOM 787 N GLY A 54 -1.892 -8.565 16.650 1.00 0.00 N ATOM 788 CA GLY A 54 -2.358 -8.000 17.903 1.00 0.00 C ATOM 789 C GLY A 54 -2.531 -6.496 17.832 1.00 0.00 C ATOM 790 O GLY A 54 -3.649 -6.000 17.691 1.00 0.00 O ATOM 0 H GLY A 54 -0.891 -8.759 16.613 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.309 -8.460 18.174 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.649 -8.244 18.694 1.00 0.00 H new ATOM 794 N GLU A 55 -1.423 -5.768 17.932 1.00 0.00 N ATOM 795 CA GLU A 55 -1.459 -4.312 17.881 1.00 0.00 C ATOM 796 C GLU A 55 -0.609 -3.786 16.729 1.00 0.00 C ATOM 797 O GLU A 55 0.365 -4.421 16.322 1.00 0.00 O ATOM 798 CB GLU A 55 -0.967 -3.720 19.204 1.00 0.00 C ATOM 799 CG GLU A 55 -1.782 -4.161 20.408 1.00 0.00 C ATOM 800 CD GLU A 55 -1.263 -5.446 21.025 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.041 -5.539 21.264 1.00 0.00 O ATOM 802 OE2 GLU A 55 -2.081 -6.359 21.267 1.00 0.00 O ATOM 0 H GLU A 55 -0.490 -6.163 18.049 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.492 -4.006 17.716 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.074 -4.006 19.356 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.992 -2.632 19.137 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.770 -3.371 21.159 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.821 -4.300 20.108 1.00 0.00 H new ATOM 809 N TYR A 56 -0.983 -2.623 16.207 1.00 0.00 N ATOM 810 CA TYR A 56 -0.257 -2.013 15.099 1.00 0.00 C ATOM 811 C TYR A 56 -0.779 -0.608 14.814 1.00 0.00 C ATOM 812 O TYR A 56 -1.864 -0.234 15.261 1.00 0.00 O ATOM 813 CB TYR A 56 -0.378 -2.879 13.844 1.00 0.00 C ATOM 814 CG TYR A 56 -1.671 -2.671 13.088 1.00 0.00 C ATOM 815 CD1 TYR A 56 -2.820 -3.373 13.433 1.00 0.00 C ATOM 816 CD2 TYR A 56 -1.743 -1.775 12.029 1.00 0.00 C ATOM 817 CE1 TYR A 56 -4.004 -3.187 12.745 1.00 0.00 C ATOM 818 CE2 TYR A 56 -2.923 -1.582 11.336 1.00 0.00 C ATOM 819 CZ TYR A 56 -4.050 -2.290 11.697 1.00 0.00 C ATOM 820 OH TYR A 56 -5.226 -2.102 11.009 1.00 0.00 O ATOM 0 H TYR A 56 -1.785 -2.084 16.533 1.00 0.00 H new ATOM 0 HA TYR A 56 0.793 -1.940 15.382 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.460 -2.663 13.181 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.297 -3.928 14.128 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.787 -4.076 14.253 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.862 -1.220 11.742 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.888 -3.740 13.026 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.962 -0.880 10.516 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.089 -1.437 10.302 1.00 0.00 H new ATOM 830 N ILE A 57 0.001 0.165 14.067 1.00 0.00 N ATOM 831 CA ILE A 57 -0.382 1.528 13.720 1.00 0.00 C ATOM 832 C ILE A 57 -0.249 1.771 12.220 1.00 0.00 C ATOM 833 O ILE A 57 0.735 1.367 11.600 1.00 0.00 O ATOM 834 CB ILE A 57 0.474 2.562 14.474 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.777 2.070 15.891 1.00 0.00 C ATOM 836 CG2 ILE A 57 -0.236 3.907 14.516 1.00 0.00 C ATOM 837 CD1 ILE A 57 1.985 2.733 16.516 1.00 0.00 C ATOM 0 H ILE A 57 0.902 -0.129 13.690 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.425 1.648 14.014 1.00 0.00 H new ATOM 0 HB ILE A 57 1.418 2.687 13.943 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.093 2.249 16.523 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.937 0.992 15.866 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.381 4.628 15.052 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.406 4.261 13.499 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.193 3.798 15.027 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.140 2.336 17.519 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.866 2.533 15.906 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.821 3.809 16.573 1.00 0.00 H new ATOM 849 N SER A 58 -1.244 2.437 11.644 1.00 0.00 N ATOM 850 CA SER A 58 -1.240 2.733 10.216 1.00 0.00 C ATOM 851 C SER A 58 -0.823 4.179 9.962 1.00 0.00 C ATOM 852 O SER A 58 -1.315 5.102 10.611 1.00 0.00 O ATOM 853 CB SER A 58 -2.624 2.477 9.616 1.00 0.00 C ATOM 854 OG SER A 58 -3.591 3.351 10.172 1.00 0.00 O ATOM 0 H SER A 58 -2.063 2.782 12.144 1.00 0.00 H new ATOM 0 HA SER A 58 -0.516 2.074 9.736 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.586 2.612 8.535 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.917 1.443 9.798 1.00 0.00 H new ATOM 0 HG SER A 58 -4.466 3.168 9.771 1.00 0.00 H new ATOM 860 N LYS A 59 0.088 4.367 9.014 1.00 0.00 N ATOM 861 CA LYS A 59 0.573 5.699 8.672 1.00 0.00 C ATOM 862 C LYS A 59 0.521 5.926 7.164 1.00 0.00 C ATOM 863 O LYS A 59 0.948 5.076 6.384 1.00 0.00 O ATOM 864 CB LYS A 59 2.004 5.890 9.178 1.00 0.00 C ATOM 865 CG LYS A 59 2.307 7.309 9.627 1.00 0.00 C ATOM 866 CD LYS A 59 2.543 8.230 8.441 1.00 0.00 C ATOM 867 CE LYS A 59 2.351 9.690 8.823 1.00 0.00 C ATOM 868 NZ LYS A 59 2.002 10.530 7.644 1.00 0.00 N ATOM 0 H LYS A 59 0.506 3.613 8.468 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.076 6.429 9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.180 5.209 10.011 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.700 5.612 8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.477 7.688 10.224 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.188 7.308 10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.553 8.082 8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.857 7.970 7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.563 9.769 9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.265 10.069 9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.879 11.518 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.766 10.475 6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.117 10.185 7.222 1.00 0.00 H new ATOM 882 N ASP A 60 -0.004 7.079 6.762 1.00 0.00 N ATOM 883 CA ASP A 60 -0.109 7.419 5.348 1.00 0.00 C ATOM 884 C ASP A 60 -0.509 6.199 4.524 1.00 0.00 C ATOM 885 O ASP A 60 -0.033 6.008 3.406 1.00 0.00 O ATOM 886 CB ASP A 60 1.218 7.981 4.837 1.00 0.00 C ATOM 887 CG ASP A 60 1.117 8.503 3.417 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.352 9.463 3.190 1.00 0.00 O ATOM 889 OD2 ASP A 60 1.803 7.949 2.531 1.00 0.00 O ATOM 0 H ASP A 60 -0.363 7.793 7.395 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.883 8.179 5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.546 8.786 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.980 7.203 4.882 1.00 0.00 H new ATOM 894 N GLY A 61 -1.388 5.373 5.086 1.00 0.00 N ATOM 895 CA GLY A 61 -1.836 4.181 4.390 1.00 0.00 C ATOM 896 C GLY A 61 -0.784 3.091 4.371 1.00 0.00 C ATOM 897 O GLY A 61 -0.628 2.386 3.373 1.00 0.00 O ATOM 0 H GLY A 61 -1.797 5.509 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.739 3.802 4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.104 4.441 3.366 1.00 0.00 H new ATOM 901 N VAL A 62 -0.057 2.952 5.475 1.00 0.00 N ATOM 902 CA VAL A 62 0.987 1.939 5.581 1.00 0.00 C ATOM 903 C VAL A 62 1.032 1.341 6.983 1.00 0.00 C ATOM 904 O VAL A 62 1.143 2.050 7.984 1.00 0.00 O ATOM 905 CB VAL A 62 2.370 2.523 5.239 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.419 1.421 5.197 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.320 3.272 3.916 1.00 0.00 C ATOM 0 H VAL A 62 -0.172 3.528 6.309 1.00 0.00 H new ATOM 0 HA VAL A 62 0.743 1.156 4.863 1.00 0.00 H new ATOM 0 HB VAL A 62 2.650 3.230 6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.390 1.852 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.472 0.932 6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.147 0.688 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.306 3.678 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.018 2.589 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.600 4.087 3.986 1.00 0.00 H new ATOM 917 N PRO A 63 0.944 0.005 7.059 1.00 0.00 N ATOM 918 CA PRO A 63 0.974 -0.719 8.333 1.00 0.00 C ATOM 919 C PRO A 63 2.348 -0.673 8.994 1.00 0.00 C ATOM 920 O PRO A 63 3.359 -0.992 8.368 1.00 0.00 O ATOM 921 CB PRO A 63 0.620 -2.154 7.935 1.00 0.00 C ATOM 922 CG PRO A 63 1.032 -2.263 6.507 1.00 0.00 C ATOM 923 CD PRO A 63 0.810 -0.902 5.907 1.00 0.00 C ATOM 0 HA PRO A 63 0.292 -0.285 9.064 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.147 -2.879 8.556 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.446 -2.347 8.055 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.077 -2.560 6.424 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.443 -3.019 5.988 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.544 -0.680 5.133 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.174 -0.822 5.445 1.00 0.00 H new ATOM 931 N TYR A 64 2.377 -0.276 10.261 1.00 0.00 N ATOM 932 CA TYR A 64 3.627 -0.187 11.005 1.00 0.00 C ATOM 933 C TYR A 64 3.458 -0.729 12.422 1.00 0.00 C ATOM 934 O TYR A 64 2.360 -0.710 12.979 1.00 0.00 O ATOM 935 CB TYR A 64 4.113 1.262 11.057 1.00 0.00 C ATOM 936 CG TYR A 64 4.581 1.792 9.720 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.707 1.267 9.098 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.895 2.816 9.078 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.138 1.749 7.877 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.318 3.303 7.856 1.00 0.00 C ATOM 941 CZ TYR A 64 5.440 2.766 7.260 1.00 0.00 C ATOM 942 OH TYR A 64 5.866 3.248 6.043 1.00 0.00 O ATOM 0 H TYR A 64 1.549 -0.011 10.794 1.00 0.00 H new ATOM 0 HA TYR A 64 4.370 -0.794 10.489 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.306 1.894 11.427 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.930 1.337 11.774 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.255 0.469 9.577 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.016 3.238 9.542 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.017 1.332 7.408 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.773 4.099 7.371 1.00 0.00 H new ATOM 0 HH TYR A 64 5.264 3.962 5.745 1.00 0.00 H new ATOM 952 N CYS A 65 4.553 -1.211 12.999 1.00 0.00 N ATOM 953 CA CYS A 65 4.529 -1.758 14.350 1.00 0.00 C ATOM 954 C CYS A 65 4.873 -0.684 15.378 1.00 0.00 C ATOM 955 O CYS A 65 5.376 0.383 15.030 1.00 0.00 O ATOM 956 CB CYS A 65 5.511 -2.925 14.467 1.00 0.00 C ATOM 957 SG CYS A 65 7.258 -2.452 14.258 1.00 0.00 S ATOM 0 H CYS A 65 5.469 -1.234 12.551 1.00 0.00 H new ATOM 0 HA CYS A 65 3.520 -2.119 14.552 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.387 -3.393 15.443 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.257 -3.676 13.719 1.00 0.00 H new ATOM 962 N GLU A 66 4.597 -0.976 16.645 1.00 0.00 N ATOM 963 CA GLU A 66 4.877 -0.035 17.723 1.00 0.00 C ATOM 964 C GLU A 66 6.376 0.226 17.843 1.00 0.00 C ATOM 965 O GLU A 66 6.808 1.076 18.620 1.00 0.00 O ATOM 966 CB GLU A 66 4.334 -0.570 19.051 1.00 0.00 C ATOM 967 CG GLU A 66 2.870 -0.972 18.992 1.00 0.00 C ATOM 968 CD GLU A 66 2.166 -0.807 20.324 1.00 0.00 C ATOM 969 OE1 GLU A 66 2.852 -0.839 21.367 1.00 0.00 O ATOM 970 OE2 GLU A 66 0.927 -0.645 20.324 1.00 0.00 O ATOM 0 H GLU A 66 4.180 -1.856 16.950 1.00 0.00 H new ATOM 0 HA GLU A 66 4.380 0.906 17.487 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.927 -1.433 19.355 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.462 0.192 19.820 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.362 -0.369 18.239 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.795 -2.011 18.672 1.00 0.00 H new ATOM 977 N SER A 67 7.163 -0.512 17.066 1.00 0.00 N ATOM 978 CA SER A 67 8.613 -0.365 17.087 1.00 0.00 C ATOM 979 C SER A 67 9.065 0.703 16.095 1.00 0.00 C ATOM 980 O SER A 67 9.497 1.787 16.486 1.00 0.00 O ATOM 981 CB SER A 67 9.288 -1.698 16.762 1.00 0.00 C ATOM 982 OG SER A 67 10.587 -1.763 17.323 1.00 0.00 O ATOM 0 H SER A 67 6.820 -1.218 16.414 1.00 0.00 H new ATOM 0 HA SER A 67 8.907 -0.053 18.089 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.682 -2.519 17.145 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.349 -1.824 15.681 1.00 0.00 H new ATOM 0 HG SER A 67 10.996 -2.626 17.102 1.00 0.00 H new ATOM 988 N ASP A 68 8.961 0.387 14.809 1.00 0.00 N ATOM 989 CA ASP A 68 9.357 1.318 13.759 1.00 0.00 C ATOM 990 C ASP A 68 8.560 2.615 13.853 1.00 0.00 C ATOM 991 O ASP A 68 9.132 3.700 13.968 1.00 0.00 O ATOM 992 CB ASP A 68 9.158 0.682 12.382 1.00 0.00 C ATOM 993 CG ASP A 68 10.070 -0.508 12.156 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.187 -0.513 12.714 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.667 -1.434 11.422 1.00 0.00 O ATOM 0 H ASP A 68 8.606 -0.507 14.469 1.00 0.00 H new ATOM 0 HA ASP A 68 10.413 1.551 13.894 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.120 0.365 12.278 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.342 1.429 11.610 1.00 0.00 H new ATOM 1000 N TYR A 69 7.238 2.496 13.803 1.00 0.00 N ATOM 1001 CA TYR A 69 6.363 3.660 13.879 1.00 0.00 C ATOM 1002 C TYR A 69 6.842 4.633 14.952 1.00 0.00 C ATOM 1003 O TYR A 69 7.137 5.794 14.667 1.00 0.00 O ATOM 1004 CB TYR A 69 4.927 3.225 14.175 1.00 0.00 C ATOM 1005 CG TYR A 69 3.919 4.346 14.060 1.00 0.00 C ATOM 1006 CD1 TYR A 69 3.773 5.283 15.075 1.00 0.00 C ATOM 1007 CD2 TYR A 69 3.112 4.469 12.935 1.00 0.00 C ATOM 1008 CE1 TYR A 69 2.853 6.308 14.974 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.190 5.492 12.825 1.00 0.00 C ATOM 1010 CZ TYR A 69 2.064 6.409 13.847 1.00 0.00 C ATOM 1011 OH TYR A 69 1.148 7.430 13.743 1.00 0.00 O ATOM 0 H TYR A 69 6.749 1.606 13.710 1.00 0.00 H new ATOM 0 HA TYR A 69 6.391 4.168 12.915 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.649 2.426 13.488 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.882 2.809 15.182 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.390 5.209 15.959 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.207 3.752 12.133 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.752 7.027 15.773 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.571 5.573 11.943 1.00 0.00 H new ATOM 0 HH TYR A 69 0.674 7.359 12.888 1.00 0.00 H new ATOM 1021 N HIS A 70 6.919 4.150 16.188 1.00 0.00 N ATOM 1022 CA HIS A 70 7.364 4.975 17.306 1.00 0.00 C ATOM 1023 C HIS A 70 8.800 5.446 17.095 1.00 0.00 C ATOM 1024 O HIS A 70 9.246 6.406 17.722 1.00 0.00 O ATOM 1025 CB HIS A 70 7.257 4.196 18.617 1.00 0.00 C ATOM 1026 CG HIS A 70 5.902 4.272 19.250 1.00 0.00 C ATOM 1027 ND1 HIS A 70 5.579 5.189 20.228 1.00 0.00 N ATOM 1028 CD2 HIS A 70 4.784 3.539 19.039 1.00 0.00 C ATOM 1029 CE1 HIS A 70 4.320 5.016 20.592 1.00 0.00 C ATOM 1030 NE2 HIS A 70 3.815 4.021 19.885 1.00 0.00 N ATOM 0 H HIS A 70 6.679 3.191 16.441 1.00 0.00 H new ATOM 0 HA HIS A 70 6.717 5.851 17.360 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.504 3.151 18.430 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.999 4.578 19.319 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.674 2.726 18.336 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.794 5.590 21.340 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.861 3.668 19.956 1.00 0.00 H new ATOM 1039 N ALA A 71 9.518 4.762 16.210 1.00 0.00 N ATOM 1040 CA ALA A 71 10.902 5.111 15.916 1.00 0.00 C ATOM 1041 C ALA A 71 10.990 6.041 14.711 1.00 0.00 C ATOM 1042 O ALA A 71 12.000 6.714 14.508 1.00 0.00 O ATOM 1043 CB ALA A 71 11.724 3.854 15.676 1.00 0.00 C ATOM 0 H ALA A 71 9.164 3.963 15.684 1.00 0.00 H new ATOM 0 HA ALA A 71 11.309 5.638 16.779 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.756 4.130 15.458 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.697 3.226 16.567 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.309 3.304 14.832 1.00 0.00 H new ATOM 1049 N GLN A 72 9.926 6.073 13.915 1.00 0.00 N ATOM 1050 CA GLN A 72 9.885 6.920 12.729 1.00 0.00 C ATOM 1051 C GLN A 72 9.219 8.257 13.037 1.00 0.00 C ATOM 1052 O GLN A 72 9.854 9.309 12.969 1.00 0.00 O ATOM 1053 CB GLN A 72 9.138 6.213 11.597 1.00 0.00 C ATOM 1054 CG GLN A 72 10.047 5.428 10.665 1.00 0.00 C ATOM 1055 CD GLN A 72 9.275 4.561 9.690 1.00 0.00 C ATOM 1056 OE1 GLN A 72 9.122 4.908 8.519 1.00 0.00 O ATOM 1057 NE2 GLN A 72 8.784 3.424 10.170 1.00 0.00 N ATOM 0 H GLN A 72 9.081 5.522 14.070 1.00 0.00 H new ATOM 0 HA GLN A 72 10.911 7.110 12.414 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.400 5.536 12.027 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.589 6.955 11.016 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.677 6.122 10.108 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.712 4.799 11.257 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.935 3.176 11.148 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.256 2.799 9.561 1.00 0.00 H new ATOM 1066 N PHE A 73 7.935 8.207 13.376 1.00 0.00 N ATOM 1067 CA PHE A 73 7.181 9.415 13.694 1.00 0.00 C ATOM 1068 C PHE A 73 7.103 9.626 15.203 1.00 0.00 C ATOM 1069 O PHE A 73 6.870 10.738 15.674 1.00 0.00 O ATOM 1070 CB PHE A 73 5.771 9.331 13.105 1.00 0.00 C ATOM 1071 CG PHE A 73 5.743 8.845 11.684 1.00 0.00 C ATOM 1072 CD1 PHE A 73 5.899 7.499 11.395 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.559 9.734 10.637 1.00 0.00 C ATOM 1074 CE1 PHE A 73 5.874 7.050 10.088 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.533 9.291 9.329 1.00 0.00 C ATOM 1076 CZ PHE A 73 5.690 7.946 9.054 1.00 0.00 C ATOM 0 H PHE A 73 7.395 7.344 13.438 1.00 0.00 H new ATOM 0 HA PHE A 73 7.701 10.265 13.253 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.168 8.664 13.721 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.307 10.316 13.153 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.042 6.793 12.200 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.434 10.786 10.846 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.998 5.998 9.876 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.390 9.995 8.522 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.669 7.596 8.032 1.00 0.00 H new ATOM 1086 N GLY A 74 7.298 8.548 15.956 1.00 0.00 N ATOM 1087 CA GLY A 74 7.245 8.634 17.404 1.00 0.00 C ATOM 1088 C GLY A 74 8.267 9.603 17.964 1.00 0.00 C ATOM 1089 O GLY A 74 7.943 10.439 18.808 1.00 0.00 O ATOM 0 H GLY A 74 7.492 7.616 15.589 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.247 8.946 17.710 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.414 7.645 17.830 1.00 0.00 H new ATOM 1093 N SER A 75 9.506 9.490 17.496 1.00 0.00 N ATOM 1094 CA SER A 75 10.581 10.360 17.961 1.00 0.00 C ATOM 1095 C SER A 75 10.695 11.600 17.080 1.00 0.00 C ATOM 1096 O SER A 75 11.603 11.709 16.256 1.00 0.00 O ATOM 1097 CB SER A 75 11.910 9.602 17.970 1.00 0.00 C ATOM 1098 OG SER A 75 12.228 9.114 16.678 1.00 0.00 O ATOM 0 H SER A 75 9.791 8.805 16.796 1.00 0.00 H new ATOM 0 HA SER A 75 10.345 10.678 18.977 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.705 10.260 18.319 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.853 8.770 18.672 1.00 0.00 H new ATOM 0 HG SER A 75 12.147 9.840 16.025 1.00 0.00 H new ATOM 1104 N GLY A 76 9.766 12.534 17.260 1.00 0.00 N ATOM 1105 CA GLY A 76 9.780 13.755 16.475 1.00 0.00 C ATOM 1106 C GLY A 76 10.431 14.910 17.210 1.00 0.00 C ATOM 1107 O GLY A 76 11.166 14.721 18.180 1.00 0.00 O ATOM 0 H GLY A 76 9.004 12.467 17.935 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.313 13.577 15.541 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.757 14.026 16.212 1.00 0.00 H new ATOM 1111 N PRO A 77 10.165 16.139 16.744 1.00 0.00 N ATOM 1112 CA PRO A 77 10.722 17.353 17.348 1.00 0.00 C ATOM 1113 C PRO A 77 10.131 17.639 18.724 1.00 0.00 C ATOM 1114 O PRO A 77 9.215 18.451 18.860 1.00 0.00 O ATOM 1115 CB PRO A 77 10.331 18.453 16.358 1.00 0.00 C ATOM 1116 CG PRO A 77 9.119 17.929 15.669 1.00 0.00 C ATOM 1117 CD PRO A 77 9.298 16.438 15.592 1.00 0.00 C ATOM 0 HA PRO A 77 11.796 17.271 17.512 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.120 19.391 16.872 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.135 18.652 15.649 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.215 18.185 16.221 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.018 18.362 14.674 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.344 15.915 15.660 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.760 16.137 14.652 1.00 0.00 H new ATOM 1125 N SER A 78 10.660 16.968 19.742 1.00 0.00 N ATOM 1126 CA SER A 78 10.181 17.149 21.108 1.00 0.00 C ATOM 1127 C SER A 78 10.545 18.535 21.632 1.00 0.00 C ATOM 1128 O SER A 78 9.681 19.287 22.081 1.00 0.00 O ATOM 1129 CB SER A 78 10.771 16.074 22.023 1.00 0.00 C ATOM 1130 OG SER A 78 10.343 16.255 23.362 1.00 0.00 O ATOM 0 H SER A 78 11.420 16.294 19.647 1.00 0.00 H new ATOM 0 HA SER A 78 9.095 17.056 21.102 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.470 15.087 21.672 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.859 16.110 21.977 1.00 0.00 H new ATOM 0 HG SER A 78 10.732 15.555 23.927 1.00 0.00 H new ATOM 1136 N SER A 79 11.831 18.865 21.570 1.00 0.00 N ATOM 1137 CA SER A 79 12.311 20.159 22.042 1.00 0.00 C ATOM 1138 C SER A 79 12.524 21.118 20.874 1.00 0.00 C ATOM 1139 O SER A 79 13.059 20.738 19.833 1.00 0.00 O ATOM 1140 CB SER A 79 13.617 19.989 22.821 1.00 0.00 C ATOM 1141 OG SER A 79 14.607 19.359 22.027 1.00 0.00 O ATOM 0 H SER A 79 12.559 18.255 21.198 1.00 0.00 H new ATOM 0 HA SER A 79 11.554 20.581 22.703 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.977 20.964 23.150 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.435 19.397 23.718 1.00 0.00 H new ATOM 0 HG SER A 79 15.432 19.264 22.547 1.00 0.00 H new ATOM 1147 N GLY A 80 12.101 22.365 21.056 1.00 0.00 N ATOM 1148 CA GLY A 80 12.253 23.360 20.010 1.00 0.00 C ATOM 1149 C GLY A 80 11.085 23.370 19.045 1.00 0.00 C ATOM 1150 O GLY A 80 10.325 24.337 19.035 1.00 0.00 O ATOM 0 H GLY A 80 11.656 22.704 21.909 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.354 24.346 20.463 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.173 23.166 19.459 1.00 0.00 H new TER 1154 GLY A 80 HETATM 1155 ZN ZN A 201 -0.790 -12.457 0.761 1.00 0.00 ZN HETATM 1156 ZN ZN A 401 8.203 -2.251 12.302 1.00 0.00 ZN