USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 439 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 NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0119 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 16 ASN : amide:sc= -2 K(o=-2,f=-4.1!) USER MOD Single : A 20 SER OG : rot -145:sc= -0.608 USER MOD Single : A 22 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.098) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 89:sc= 0.461 USER MOD Single : A 37 THR OG1 : rot 178:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -5.54! C(o=-5.5!,f=-15!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -112:sc= -1.04 (180deg=-3.24!) USER MOD Single : A 51 SER OG : rot -52:sc= 0.741 USER MOD Single : A 55 LYS NZ :NH3+ -112:sc=-0.00781 (180deg=-0.11) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0657 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.271 33.436 -26.105 1.00 0.00 N ATOM 2 CA GLY A 1 -7.892 33.177 -24.729 1.00 0.00 C ATOM 3 C GLY A 1 -8.248 31.772 -24.284 1.00 0.00 C ATOM 4 O GLY A 1 -9.283 31.233 -24.675 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.622 34.411 -26.191 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.444 33.310 -26.723 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.020 32.773 -26.390 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.819 33.329 -24.616 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.387 33.897 -24.077 1.00 0.00 H new ATOM 8 N SER A 2 -7.387 31.176 -23.465 1.00 0.00 N ATOM 9 CA SER A 2 -7.613 29.823 -22.971 1.00 0.00 C ATOM 10 C SER A 2 -6.679 29.507 -21.807 1.00 0.00 C ATOM 11 O SER A 2 -5.818 30.312 -21.450 1.00 0.00 O ATOM 12 CB SER A 2 -7.408 28.806 -24.095 1.00 0.00 C ATOM 13 OG SER A 2 -6.030 28.625 -24.374 1.00 0.00 O ATOM 0 H SER A 2 -6.527 31.609 -23.130 1.00 0.00 H new ATOM 0 HA SER A 2 -8.642 29.759 -22.616 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.853 27.852 -23.812 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.923 29.144 -24.994 1.00 0.00 H new ATOM 0 HG SER A 2 -5.926 27.969 -25.095 1.00 0.00 H new ATOM 19 N SER A 3 -6.855 28.328 -21.218 1.00 0.00 N ATOM 20 CA SER A 3 -6.032 27.905 -20.091 1.00 0.00 C ATOM 21 C SER A 3 -6.267 26.433 -19.769 1.00 0.00 C ATOM 22 O SER A 3 -7.348 25.898 -20.009 1.00 0.00 O ATOM 23 CB SER A 3 -6.334 28.763 -18.861 1.00 0.00 C ATOM 24 OG SER A 3 -7.665 28.565 -18.416 1.00 0.00 O ATOM 0 H SER A 3 -7.561 27.649 -21.503 1.00 0.00 H new ATOM 0 HA SER A 3 -4.986 28.036 -20.368 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.638 28.513 -18.060 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.180 29.815 -19.101 1.00 0.00 H new ATOM 0 HG SER A 3 -7.833 29.123 -17.628 1.00 0.00 H new ATOM 30 N GLY A 4 -5.243 25.782 -19.224 1.00 0.00 N ATOM 31 CA GLY A 4 -5.357 24.377 -18.878 1.00 0.00 C ATOM 32 C GLY A 4 -5.227 24.135 -17.387 1.00 0.00 C ATOM 33 O GLY A 4 -4.817 25.024 -16.640 1.00 0.00 O ATOM 0 H GLY A 4 -4.337 26.202 -19.016 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.319 23.998 -19.222 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.586 23.813 -19.403 1.00 0.00 H new ATOM 37 N SER A 5 -5.578 22.929 -16.952 1.00 0.00 N ATOM 38 CA SER A 5 -5.504 22.575 -15.539 1.00 0.00 C ATOM 39 C SER A 5 -5.683 21.072 -15.346 1.00 0.00 C ATOM 40 O SER A 5 -6.695 20.499 -15.751 1.00 0.00 O ATOM 41 CB SER A 5 -6.568 23.333 -14.745 1.00 0.00 C ATOM 42 OG SER A 5 -6.255 23.354 -13.363 1.00 0.00 O ATOM 0 H SER A 5 -5.916 22.181 -17.557 1.00 0.00 H new ATOM 0 HA SER A 5 -4.518 22.856 -15.170 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.646 24.354 -15.119 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.540 22.863 -14.894 1.00 0.00 H new ATOM 0 HG SER A 5 -6.950 23.846 -12.878 1.00 0.00 H new ATOM 48 N SER A 6 -4.693 20.439 -14.725 1.00 0.00 N ATOM 49 CA SER A 6 -4.738 19.002 -14.481 1.00 0.00 C ATOM 50 C SER A 6 -4.358 18.684 -13.038 1.00 0.00 C ATOM 51 O SER A 6 -3.817 19.529 -12.326 1.00 0.00 O ATOM 52 CB SER A 6 -3.799 18.271 -15.441 1.00 0.00 C ATOM 53 OG SER A 6 -4.437 18.008 -16.678 1.00 0.00 O ATOM 0 H SER A 6 -3.850 20.899 -14.382 1.00 0.00 H new ATOM 0 HA SER A 6 -5.759 18.661 -14.653 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.906 18.873 -15.610 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.471 17.334 -14.991 1.00 0.00 H new ATOM 0 HG SER A 6 -3.815 17.542 -17.274 1.00 0.00 H new ATOM 59 N GLY A 7 -4.646 17.457 -12.613 1.00 0.00 N ATOM 60 CA GLY A 7 -4.328 17.048 -11.258 1.00 0.00 C ATOM 61 C GLY A 7 -4.785 15.634 -10.957 1.00 0.00 C ATOM 62 O GLY A 7 -5.969 15.375 -10.739 1.00 0.00 O ATOM 0 H GLY A 7 -5.094 16.740 -13.183 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.251 17.119 -11.103 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.797 17.736 -10.555 1.00 0.00 H new ATOM 66 N PRO A 8 -3.833 14.690 -10.944 1.00 0.00 N ATOM 67 CA PRO A 8 -4.120 13.279 -10.670 1.00 0.00 C ATOM 68 C PRO A 8 -4.515 13.040 -9.216 1.00 0.00 C ATOM 69 O PRO A 8 -3.672 12.716 -8.380 1.00 0.00 O ATOM 70 CB PRO A 8 -2.796 12.580 -10.986 1.00 0.00 C ATOM 71 CG PRO A 8 -1.757 13.630 -10.793 1.00 0.00 C ATOM 72 CD PRO A 8 -2.401 14.928 -11.195 1.00 0.00 C ATOM 0 HA PRO A 8 -4.962 12.913 -11.257 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.629 11.731 -10.323 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.785 12.195 -12.006 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.425 13.664 -9.755 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.877 13.425 -11.403 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.023 15.764 -10.606 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.210 15.164 -12.242 1.00 0.00 H new ATOM 80 N SER A 9 -5.802 13.200 -8.924 1.00 0.00 N ATOM 81 CA SER A 9 -6.308 13.004 -7.570 1.00 0.00 C ATOM 82 C SER A 9 -6.964 11.634 -7.428 1.00 0.00 C ATOM 83 O SER A 9 -7.919 11.315 -8.137 1.00 0.00 O ATOM 84 CB SER A 9 -7.311 14.103 -7.214 1.00 0.00 C ATOM 85 OG SER A 9 -6.649 15.275 -6.773 1.00 0.00 O ATOM 0 H SER A 9 -6.513 13.465 -9.606 1.00 0.00 H new ATOM 0 HA SER A 9 -5.464 13.056 -6.882 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.925 14.334 -8.084 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.984 13.747 -6.434 1.00 0.00 H new ATOM 0 HG SER A 9 -7.312 15.962 -6.553 1.00 0.00 H new ATOM 91 N ARG A 10 -6.444 10.829 -6.508 1.00 0.00 N ATOM 92 CA ARG A 10 -6.978 9.492 -6.273 1.00 0.00 C ATOM 93 C ARG A 10 -8.274 9.558 -5.471 1.00 0.00 C ATOM 94 O ARG A 10 -8.390 10.294 -4.490 1.00 0.00 O ATOM 95 CB ARG A 10 -5.951 8.633 -5.534 1.00 0.00 C ATOM 96 CG ARG A 10 -4.663 8.419 -6.312 1.00 0.00 C ATOM 97 CD ARG A 10 -3.893 7.214 -5.795 1.00 0.00 C ATOM 98 NE ARG A 10 -3.108 7.535 -4.606 1.00 0.00 N ATOM 99 CZ ARG A 10 -3.583 7.458 -3.368 1.00 0.00 C ATOM 100 NH1 ARG A 10 -4.835 7.073 -3.158 1.00 0.00 N ATOM 101 NH2 ARG A 10 -2.807 7.767 -2.338 1.00 0.00 N ATOM 0 H ARG A 10 -5.654 11.078 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.193 9.038 -7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.715 9.104 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.395 7.663 -5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.894 8.279 -7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.039 9.310 -6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.591 6.410 -5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.231 6.844 -6.578 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.141 7.835 -4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.435 6.835 -3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.198 7.015 -2.206 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.844 8.064 -2.496 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.173 7.707 -1.388 1.00 0.00 H new ATOM 115 N PRO A 11 -9.274 8.771 -5.895 1.00 0.00 N ATOM 116 CA PRO A 11 -10.579 8.721 -5.230 1.00 0.00 C ATOM 117 C PRO A 11 -10.507 8.057 -3.860 1.00 0.00 C ATOM 118 O PRO A 11 -9.422 7.775 -3.352 1.00 0.00 O ATOM 119 CB PRO A 11 -11.433 7.884 -6.186 1.00 0.00 C ATOM 120 CG PRO A 11 -10.454 7.039 -6.926 1.00 0.00 C ATOM 121 CD PRO A 11 -9.206 7.868 -7.056 1.00 0.00 C ATOM 0 HA PRO A 11 -10.978 9.718 -5.042 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.152 7.272 -5.642 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.003 8.517 -6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.253 6.113 -6.388 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.841 6.761 -7.906 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.309 7.250 -7.032 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.187 8.421 -7.995 1.00 0.00 H new ATOM 129 N VAL A 12 -11.670 7.809 -3.266 1.00 0.00 N ATOM 130 CA VAL A 12 -11.739 7.176 -1.954 1.00 0.00 C ATOM 131 C VAL A 12 -11.568 5.665 -2.063 1.00 0.00 C ATOM 132 O VAL A 12 -12.309 4.900 -1.446 1.00 0.00 O ATOM 133 CB VAL A 12 -13.076 7.481 -1.253 1.00 0.00 C ATOM 134 CG1 VAL A 12 -13.245 8.979 -1.054 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.238 6.906 -2.049 1.00 0.00 C ATOM 0 H VAL A 12 -12.577 8.037 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.924 7.589 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.068 7.007 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.195 9.175 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.429 9.359 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.232 9.478 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.175 7.131 -1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.251 7.349 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.121 5.826 -2.134 1.00 0.00 H new ATOM 145 N ARG A 13 -10.586 5.242 -2.853 1.00 0.00 N ATOM 146 CA ARG A 13 -10.318 3.821 -3.044 1.00 0.00 C ATOM 147 C ARG A 13 -9.699 3.211 -1.790 1.00 0.00 C ATOM 148 O ARG A 13 -9.122 3.905 -0.952 1.00 0.00 O ATOM 149 CB ARG A 13 -9.386 3.613 -4.239 1.00 0.00 C ATOM 150 CG ARG A 13 -10.097 3.662 -5.582 1.00 0.00 C ATOM 151 CD ARG A 13 -10.591 2.286 -6.001 1.00 0.00 C ATOM 152 NE ARG A 13 -11.439 2.347 -7.188 1.00 0.00 N ATOM 153 CZ ARG A 13 -11.579 1.341 -8.044 1.00 0.00 C ATOM 154 NH1 ARG A 13 -10.930 0.202 -7.845 1.00 0.00 N ATOM 155 NH2 ARG A 13 -12.369 1.473 -9.102 1.00 0.00 N ATOM 0 H ARG A 13 -9.963 5.862 -3.371 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.266 3.321 -3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.609 4.378 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.887 2.649 -4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.940 4.350 -5.524 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.418 4.053 -6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.737 1.639 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.149 1.836 -5.180 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.952 3.210 -7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.322 0.097 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.039 -0.569 -8.504 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.870 2.348 -9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.476 0.700 -9.759 1.00 0.00 H new ATOM 169 N PRO A 14 -9.821 1.882 -1.656 1.00 0.00 N ATOM 170 CA PRO A 14 -9.280 1.150 -0.507 1.00 0.00 C ATOM 171 C PRO A 14 -7.756 1.108 -0.512 1.00 0.00 C ATOM 172 O PRO A 14 -7.136 0.846 -1.542 1.00 0.00 O ATOM 173 CB PRO A 14 -9.854 -0.258 -0.682 1.00 0.00 C ATOM 174 CG PRO A 14 -10.113 -0.383 -2.144 1.00 0.00 C ATOM 175 CD PRO A 14 -10.496 0.993 -2.616 1.00 0.00 C ATOM 0 HA PRO A 14 -9.548 1.620 0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.152 -1.017 -0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.770 -0.387 -0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.227 -0.743 -2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.912 -1.099 -2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.161 1.175 -3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.577 1.136 -2.605 1.00 0.00 H new ATOM 183 N ASN A 15 -7.157 1.367 0.646 1.00 0.00 N ATOM 184 CA ASN A 15 -5.705 1.359 0.775 1.00 0.00 C ATOM 185 C ASN A 15 -5.210 0.002 1.267 1.00 0.00 C ATOM 186 O ASN A 15 -4.164 -0.093 1.907 1.00 0.00 O ATOM 187 CB ASN A 15 -5.251 2.459 1.736 1.00 0.00 C ATOM 188 CG ASN A 15 -5.621 3.845 1.245 1.00 0.00 C ATOM 189 OD1 ASN A 15 -5.973 4.029 0.079 1.00 0.00 O ATOM 190 ND2 ASN A 15 -5.543 4.828 2.134 1.00 0.00 N ATOM 0 H ASN A 15 -7.655 1.585 1.509 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.277 1.547 -0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.701 2.291 2.715 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.171 2.400 1.867 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.780 5.782 1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.246 4.629 3.089 1.00 0.00 H new ATOM 197 N ASN A 16 -5.970 -1.045 0.962 1.00 0.00 N ATOM 198 CA ASN A 16 -5.609 -2.397 1.373 1.00 0.00 C ATOM 199 C ASN A 16 -4.981 -3.168 0.216 1.00 0.00 C ATOM 200 O ASN A 16 -5.641 -3.977 -0.435 1.00 0.00 O ATOM 201 CB ASN A 16 -6.842 -3.142 1.888 1.00 0.00 C ATOM 202 CG ASN A 16 -8.111 -2.724 1.171 1.00 0.00 C ATOM 203 OD1 ASN A 16 -8.874 -1.896 1.670 1.00 0.00 O ATOM 204 ND2 ASN A 16 -8.343 -3.295 -0.005 1.00 0.00 N ATOM 0 H ASN A 16 -6.839 -0.983 0.432 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.876 -2.322 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.694 -4.215 1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.954 -2.958 2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.181 -3.052 -0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.683 -3.976 -0.380 1.00 0.00 H new ATOM 211 N ARG A 17 -3.701 -2.911 -0.034 1.00 0.00 N ATOM 212 CA ARG A 17 -2.983 -3.580 -1.112 1.00 0.00 C ATOM 213 C ARG A 17 -1.475 -3.420 -0.944 1.00 0.00 C ATOM 214 O ARG A 17 -1.011 -2.562 -0.191 1.00 0.00 O ATOM 215 CB ARG A 17 -3.418 -3.019 -2.467 1.00 0.00 C ATOM 216 CG ARG A 17 -4.589 -3.764 -3.087 1.00 0.00 C ATOM 217 CD ARG A 17 -4.907 -3.242 -4.480 1.00 0.00 C ATOM 218 NE ARG A 17 -6.328 -3.351 -4.795 1.00 0.00 N ATOM 219 CZ ARG A 17 -6.832 -3.139 -6.006 1.00 0.00 C ATOM 220 NH1 ARG A 17 -6.033 -2.808 -7.011 1.00 0.00 N ATOM 221 NH2 ARG A 17 -8.137 -3.258 -6.213 1.00 0.00 N ATOM 0 H ARG A 17 -3.140 -2.244 0.496 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.224 -4.642 -1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.688 -1.970 -2.347 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.572 -3.053 -3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.358 -4.828 -3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.467 -3.660 -2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.598 -2.199 -4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.329 -3.800 -5.217 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.970 -3.604 -4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.029 -2.716 -6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.422 -2.646 -7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.755 -3.512 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.523 -3.095 -7.143 1.00 0.00 H new ATOM 235 N CYS A 18 -0.715 -4.251 -1.648 1.00 0.00 N ATOM 236 CA CYS A 18 0.741 -4.203 -1.577 1.00 0.00 C ATOM 237 C CYS A 18 1.306 -3.255 -2.630 1.00 0.00 C ATOM 238 O CYS A 18 0.913 -3.298 -3.796 1.00 0.00 O ATOM 239 CB CYS A 18 1.328 -5.603 -1.767 1.00 0.00 C ATOM 240 SG CYS A 18 3.118 -5.708 -1.448 1.00 0.00 S ATOM 0 H CYS A 18 -1.083 -4.967 -2.275 1.00 0.00 H new ATOM 0 HA CYS A 18 1.020 -3.830 -0.591 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.810 -6.296 -1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.132 -5.932 -2.787 1.00 0.00 H new ATOM 245 N PHE A 19 2.232 -2.398 -2.211 1.00 0.00 N ATOM 246 CA PHE A 19 2.852 -1.439 -3.117 1.00 0.00 C ATOM 247 C PHE A 19 4.000 -2.082 -3.888 1.00 0.00 C ATOM 248 O PHE A 19 4.917 -1.398 -4.343 1.00 0.00 O ATOM 249 CB PHE A 19 3.363 -0.225 -2.337 1.00 0.00 C ATOM 250 CG PHE A 19 3.786 0.917 -3.216 1.00 0.00 C ATOM 251 CD1 PHE A 19 2.841 1.749 -3.795 1.00 0.00 C ATOM 252 CD2 PHE A 19 5.127 1.160 -3.461 1.00 0.00 C ATOM 253 CE1 PHE A 19 3.227 2.801 -4.604 1.00 0.00 C ATOM 254 CE2 PHE A 19 5.520 2.211 -4.269 1.00 0.00 C ATOM 255 CZ PHE A 19 4.568 3.033 -4.841 1.00 0.00 C ATOM 0 H PHE A 19 2.569 -2.349 -1.250 1.00 0.00 H new ATOM 0 HA PHE A 19 2.097 -1.112 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.580 0.118 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.208 -0.529 -1.719 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.791 1.573 -3.612 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.875 0.521 -3.016 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.481 3.441 -5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.569 2.389 -4.453 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.872 3.855 -5.472 1.00 0.00 H new ATOM 265 N SER A 20 3.942 -3.402 -4.032 1.00 0.00 N ATOM 266 CA SER A 20 4.979 -4.140 -4.744 1.00 0.00 C ATOM 267 C SER A 20 4.363 -5.155 -5.702 1.00 0.00 C ATOM 268 O SER A 20 4.796 -5.288 -6.847 1.00 0.00 O ATOM 269 CB SER A 20 5.901 -4.853 -3.752 1.00 0.00 C ATOM 270 OG SER A 20 6.995 -4.029 -3.391 1.00 0.00 O ATOM 0 H SER A 20 3.188 -3.983 -3.665 1.00 0.00 H new ATOM 0 HA SER A 20 5.564 -3.426 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.338 -5.127 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.269 -5.779 -4.194 1.00 0.00 H new ATOM 0 HG SER A 20 7.793 -4.583 -3.262 1.00 0.00 H new ATOM 276 N CYS A 21 3.349 -5.869 -5.225 1.00 0.00 N ATOM 277 CA CYS A 21 2.671 -6.873 -6.037 1.00 0.00 C ATOM 278 C CYS A 21 1.210 -6.496 -6.260 1.00 0.00 C ATOM 279 O CYS A 21 0.533 -7.070 -7.113 1.00 0.00 O ATOM 280 CB CYS A 21 2.759 -8.245 -5.366 1.00 0.00 C ATOM 281 SG CYS A 21 2.334 -8.236 -3.594 1.00 0.00 S ATOM 0 H CYS A 21 2.978 -5.771 -4.280 1.00 0.00 H new ATOM 0 HA CYS A 21 3.168 -6.917 -7.006 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.093 -8.934 -5.885 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.772 -8.631 -5.484 1.00 0.00 H new ATOM 286 N ASN A 22 0.730 -5.527 -5.487 1.00 0.00 N ATOM 287 CA ASN A 22 -0.652 -5.073 -5.600 1.00 0.00 C ATOM 288 C ASN A 22 -1.609 -6.084 -4.977 1.00 0.00 C ATOM 289 O ASN A 22 -2.784 -6.150 -5.340 1.00 0.00 O ATOM 290 CB ASN A 22 -1.017 -4.846 -7.069 1.00 0.00 C ATOM 291 CG ASN A 22 -1.997 -3.702 -7.250 1.00 0.00 C ATOM 292 OD1 ASN A 22 -1.730 -2.571 -6.846 1.00 0.00 O ATOM 293 ND2 ASN A 22 -3.140 -3.994 -7.860 1.00 0.00 N ATOM 0 H ASN A 22 1.277 -5.041 -4.776 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.745 -4.131 -5.059 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.111 -4.638 -7.638 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.449 -5.759 -7.479 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.839 -3.266 -8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.319 -4.946 -8.179 1.00 0.00 H new ATOM 300 N LYS A 23 -1.100 -6.871 -4.036 1.00 0.00 N ATOM 301 CA LYS A 23 -1.908 -7.878 -3.359 1.00 0.00 C ATOM 302 C LYS A 23 -2.703 -7.259 -2.214 1.00 0.00 C ATOM 303 O LYS A 23 -2.133 -6.823 -1.213 1.00 0.00 O ATOM 304 CB LYS A 23 -1.018 -9.003 -2.826 1.00 0.00 C ATOM 305 CG LYS A 23 -1.561 -9.666 -1.572 1.00 0.00 C ATOM 306 CD LYS A 23 -0.942 -11.037 -1.353 1.00 0.00 C ATOM 307 CE LYS A 23 -0.841 -11.373 0.126 1.00 0.00 C ATOM 308 NZ LYS A 23 -0.945 -12.838 0.371 1.00 0.00 N ATOM 0 H LYS A 23 -0.130 -6.831 -3.724 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.610 -8.291 -4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.897 -9.758 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.027 -8.602 -2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.359 -9.033 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.644 -9.763 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.542 -11.793 -1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.051 -11.065 -1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.108 -11.006 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.632 -10.857 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.872 -13.025 1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.861 -13.184 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.175 -13.329 -0.127 1.00 0.00 H new ATOM 322 N LYS A 24 -4.022 -7.223 -2.367 1.00 0.00 N ATOM 323 CA LYS A 24 -4.897 -6.660 -1.345 1.00 0.00 C ATOM 324 C LYS A 24 -4.477 -7.124 0.046 1.00 0.00 C ATOM 325 O LYS A 24 -4.565 -8.309 0.369 1.00 0.00 O ATOM 326 CB LYS A 24 -6.350 -7.060 -1.611 1.00 0.00 C ATOM 327 CG LYS A 24 -6.660 -8.502 -1.246 1.00 0.00 C ATOM 328 CD LYS A 24 -8.013 -8.934 -1.785 1.00 0.00 C ATOM 329 CE LYS A 24 -8.045 -8.899 -3.305 1.00 0.00 C ATOM 330 NZ LYS A 24 -9.111 -9.779 -3.858 1.00 0.00 N ATOM 0 H LYS A 24 -4.509 -7.577 -3.190 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.812 -5.574 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.009 -6.401 -1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.573 -6.905 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.883 -9.154 -1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.646 -8.615 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.239 -9.943 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.789 -8.280 -1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.209 -7.875 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.077 -9.212 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.100 -9.727 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.941 -10.760 -3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.038 -9.465 -3.506 1.00 0.00 H new ATOM 344 N VAL A 25 -4.022 -6.182 0.867 1.00 0.00 N ATOM 345 CA VAL A 25 -3.591 -6.494 2.224 1.00 0.00 C ATOM 346 C VAL A 25 -4.684 -6.170 3.236 1.00 0.00 C ATOM 347 O VAL A 25 -4.412 -5.982 4.421 1.00 0.00 O ATOM 348 CB VAL A 25 -2.313 -5.720 2.600 1.00 0.00 C ATOM 349 CG1 VAL A 25 -1.131 -6.208 1.776 1.00 0.00 C ATOM 350 CG2 VAL A 25 -2.523 -4.225 2.412 1.00 0.00 C ATOM 0 H VAL A 25 -3.943 -5.197 0.615 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.380 -7.563 2.251 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.093 -5.904 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.237 -5.650 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.970 -7.269 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.338 -6.055 0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.611 -3.693 2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.768 -4.020 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.341 -3.889 3.049 1.00 0.00 H new ATOM 360 N GLY A 26 -5.924 -6.107 2.760 1.00 0.00 N ATOM 361 CA GLY A 26 -7.041 -5.806 3.636 1.00 0.00 C ATOM 362 C GLY A 26 -6.652 -4.885 4.776 1.00 0.00 C ATOM 363 O GLY A 26 -5.908 -3.924 4.581 1.00 0.00 O ATOM 0 H GLY A 26 -6.175 -6.259 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.839 -5.344 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.440 -6.735 4.043 1.00 0.00 H new ATOM 367 N VAL A 27 -7.157 -5.179 5.970 1.00 0.00 N ATOM 368 CA VAL A 27 -6.858 -4.370 7.146 1.00 0.00 C ATOM 369 C VAL A 27 -5.718 -4.977 7.955 1.00 0.00 C ATOM 370 O VAL A 27 -5.635 -4.786 9.168 1.00 0.00 O ATOM 371 CB VAL A 27 -8.094 -4.220 8.052 1.00 0.00 C ATOM 372 CG1 VAL A 27 -9.245 -3.586 7.286 1.00 0.00 C ATOM 373 CG2 VAL A 27 -8.503 -5.569 8.623 1.00 0.00 C ATOM 0 H VAL A 27 -7.775 -5.971 6.148 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.559 -3.386 6.786 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.836 -3.562 8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.109 -3.488 7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.946 -2.600 6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.506 -4.215 6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.378 -5.444 9.261 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.743 -6.252 7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.682 -5.980 9.210 1.00 0.00 H new ATOM 383 N MET A 28 -4.842 -5.709 7.276 1.00 0.00 N ATOM 384 CA MET A 28 -3.705 -6.343 7.932 1.00 0.00 C ATOM 385 C MET A 28 -2.427 -6.139 7.125 1.00 0.00 C ATOM 386 O MET A 28 -1.608 -7.048 6.999 1.00 0.00 O ATOM 387 CB MET A 28 -3.967 -7.838 8.123 1.00 0.00 C ATOM 388 CG MET A 28 -5.109 -8.137 9.082 1.00 0.00 C ATOM 389 SD MET A 28 -5.003 -9.790 9.793 1.00 0.00 S ATOM 390 CE MET A 28 -6.060 -10.708 8.676 1.00 0.00 C ATOM 0 H MET A 28 -4.898 -5.878 6.272 1.00 0.00 H new ATOM 0 HA MET A 28 -3.576 -5.876 8.908 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.190 -8.286 7.155 1.00 0.00 H new ATOM 0 HB3 MET A 28 -3.059 -8.313 8.493 1.00 0.00 H new ATOM 0 HG2 MET A 28 -5.107 -7.400 9.885 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.058 -8.032 8.555 1.00 0.00 H new ATOM 0 HE1 MET A 28 -6.096 -11.753 8.985 1.00 0.00 H new ATOM 0 HE2 MET A 28 -7.065 -10.288 8.699 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.662 -10.643 7.663 1.00 0.00 H new ATOM 400 N GLY A 29 -2.263 -4.938 6.578 1.00 0.00 N ATOM 401 CA GLY A 29 -1.083 -4.637 5.789 1.00 0.00 C ATOM 402 C GLY A 29 -0.011 -3.932 6.595 1.00 0.00 C ATOM 403 O GLY A 29 -0.272 -3.440 7.694 1.00 0.00 O ATOM 0 H GLY A 29 -2.926 -4.168 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.677 -5.563 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.366 -4.012 4.942 1.00 0.00 H new ATOM 407 N PHE A 30 1.201 -3.883 6.051 1.00 0.00 N ATOM 408 CA PHE A 30 2.318 -3.236 6.729 1.00 0.00 C ATOM 409 C PHE A 30 2.624 -1.880 6.099 1.00 0.00 C ATOM 410 O PHE A 30 3.270 -1.799 5.054 1.00 0.00 O ATOM 411 CB PHE A 30 3.560 -4.127 6.676 1.00 0.00 C ATOM 412 CG PHE A 30 3.609 -5.153 7.773 1.00 0.00 C ATOM 413 CD1 PHE A 30 3.048 -6.407 7.592 1.00 0.00 C ATOM 414 CD2 PHE A 30 4.215 -4.862 8.984 1.00 0.00 C ATOM 415 CE1 PHE A 30 3.091 -7.353 8.599 1.00 0.00 C ATOM 416 CE2 PHE A 30 4.262 -5.804 9.994 1.00 0.00 C ATOM 417 CZ PHE A 30 3.698 -7.050 9.802 1.00 0.00 C ATOM 0 H PHE A 30 1.434 -4.284 5.142 1.00 0.00 H new ATOM 0 HA PHE A 30 2.037 -3.079 7.770 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.592 -4.635 5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.450 -3.500 6.735 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.572 -6.648 6.653 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.656 -3.888 9.141 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.651 -8.327 8.445 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.740 -5.566 10.933 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.732 -7.786 10.591 1.00 0.00 H new ATOM 427 N LYS A 31 2.155 -0.816 6.742 1.00 0.00 N ATOM 428 CA LYS A 31 2.378 0.537 6.247 1.00 0.00 C ATOM 429 C LYS A 31 3.746 1.056 6.679 1.00 0.00 C ATOM 430 O LYS A 31 4.061 1.092 7.869 1.00 0.00 O ATOM 431 CB LYS A 31 1.281 1.476 6.757 1.00 0.00 C ATOM 432 CG LYS A 31 1.273 2.830 6.070 1.00 0.00 C ATOM 433 CD LYS A 31 0.479 3.854 6.865 1.00 0.00 C ATOM 434 CE LYS A 31 0.268 5.134 6.072 1.00 0.00 C ATOM 435 NZ LYS A 31 -1.000 5.818 6.451 1.00 0.00 N ATOM 0 H LYS A 31 1.618 -0.865 7.608 1.00 0.00 H new ATOM 0 HA LYS A 31 2.347 0.508 5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.311 1.000 6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.409 1.623 7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.297 3.181 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.845 2.731 5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.488 3.432 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.004 4.082 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.108 5.808 6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.252 4.903 5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.108 6.686 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.804 5.185 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.974 6.061 7.462 1.00 0.00 H new ATOM 449 N CYS A 32 4.555 1.458 5.705 1.00 0.00 N ATOM 450 CA CYS A 32 5.889 1.976 5.983 1.00 0.00 C ATOM 451 C CYS A 32 5.835 3.463 6.324 1.00 0.00 C ATOM 452 O CYS A 32 4.893 4.163 5.954 1.00 0.00 O ATOM 453 CB CYS A 32 6.808 1.751 4.781 1.00 0.00 C ATOM 454 SG CYS A 32 8.449 2.524 4.944 1.00 0.00 S ATOM 0 H CYS A 32 4.310 1.435 4.715 1.00 0.00 H new ATOM 0 HA CYS A 32 6.288 1.438 6.843 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.937 0.679 4.631 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.321 2.142 3.887 1.00 0.00 H new ATOM 459 N LYS A 33 6.853 3.939 7.033 1.00 0.00 N ATOM 460 CA LYS A 33 6.925 5.341 7.424 1.00 0.00 C ATOM 461 C LYS A 33 6.781 6.253 6.209 1.00 0.00 C ATOM 462 O LYS A 33 6.252 7.360 6.310 1.00 0.00 O ATOM 463 CB LYS A 33 8.249 5.627 8.135 1.00 0.00 C ATOM 464 CG LYS A 33 8.319 5.059 9.542 1.00 0.00 C ATOM 465 CD LYS A 33 7.690 6.000 10.555 1.00 0.00 C ATOM 466 CE LYS A 33 6.217 5.686 10.769 1.00 0.00 C ATOM 467 NZ LYS A 33 5.712 6.242 12.055 1.00 0.00 N ATOM 0 H LYS A 33 7.641 3.373 7.349 1.00 0.00 H new ATOM 0 HA LYS A 33 6.101 5.544 8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.066 5.213 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.402 6.705 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.809 4.096 9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.360 4.877 9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.221 5.922 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.798 7.029 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.635 6.095 9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.071 4.606 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.705 6.007 12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.250 5.833 12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.828 7.276 12.056 1.00 0.00 H new ATOM 481 N CYS A 34 7.255 5.780 5.061 1.00 0.00 N ATOM 482 CA CYS A 34 7.178 6.551 3.826 1.00 0.00 C ATOM 483 C CYS A 34 5.731 6.904 3.494 1.00 0.00 C ATOM 484 O CYS A 34 5.444 7.998 3.010 1.00 0.00 O ATOM 485 CB CYS A 34 7.801 5.766 2.670 1.00 0.00 C ATOM 486 SG CYS A 34 7.037 4.137 2.381 1.00 0.00 S ATOM 0 H CYS A 34 7.697 4.866 4.960 1.00 0.00 H new ATOM 0 HA CYS A 34 7.735 7.477 3.970 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.723 6.359 1.759 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.863 5.627 2.870 1.00 0.00 H new ATOM 491 N GLY A 35 4.824 5.969 3.759 1.00 0.00 N ATOM 492 CA GLY A 35 3.418 6.200 3.482 1.00 0.00 C ATOM 493 C GLY A 35 2.863 5.233 2.455 1.00 0.00 C ATOM 494 O GLY A 35 1.918 5.556 1.735 1.00 0.00 O ATOM 0 H GLY A 35 5.037 5.056 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.849 6.109 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.284 7.221 3.125 1.00 0.00 H new ATOM 498 N SER A 36 3.452 4.043 2.385 1.00 0.00 N ATOM 499 CA SER A 36 3.014 3.028 1.435 1.00 0.00 C ATOM 500 C SER A 36 2.588 1.754 2.158 1.00 0.00 C ATOM 501 O SER A 36 3.107 1.429 3.226 1.00 0.00 O ATOM 502 CB SER A 36 4.133 2.713 0.440 1.00 0.00 C ATOM 503 OG SER A 36 4.715 3.902 -0.066 1.00 0.00 O ATOM 0 H SER A 36 4.234 3.759 2.975 1.00 0.00 H new ATOM 0 HA SER A 36 2.155 3.422 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.898 2.109 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.735 2.120 -0.384 1.00 0.00 H new ATOM 0 HG SER A 36 5.454 4.178 0.516 1.00 0.00 H new ATOM 509 N THR A 37 1.637 1.036 1.568 1.00 0.00 N ATOM 510 CA THR A 37 1.139 -0.202 2.156 1.00 0.00 C ATOM 511 C THR A 37 1.760 -1.419 1.481 1.00 0.00 C ATOM 512 O THR A 37 1.983 -1.425 0.270 1.00 0.00 O ATOM 513 CB THR A 37 -0.395 -0.297 2.049 1.00 0.00 C ATOM 514 OG1 THR A 37 -1.000 0.852 2.653 1.00 0.00 O ATOM 515 CG2 THR A 37 -0.907 -1.560 2.723 1.00 0.00 C ATOM 0 H THR A 37 1.196 1.290 0.684 1.00 0.00 H new ATOM 0 HA THR A 37 1.423 -0.189 3.208 1.00 0.00 H new ATOM 0 HB THR A 37 -0.662 -0.335 0.993 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.974 0.799 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.992 -1.605 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.467 -2.433 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.629 -1.548 3.777 1.00 0.00 H new ATOM 523 N PHE A 38 2.039 -2.450 2.272 1.00 0.00 N ATOM 524 CA PHE A 38 2.635 -3.675 1.751 1.00 0.00 C ATOM 525 C PHE A 38 1.986 -4.905 2.378 1.00 0.00 C ATOM 526 O PHE A 38 1.269 -4.804 3.374 1.00 0.00 O ATOM 527 CB PHE A 38 4.142 -3.687 2.018 1.00 0.00 C ATOM 528 CG PHE A 38 4.836 -2.424 1.594 1.00 0.00 C ATOM 529 CD1 PHE A 38 5.185 -2.221 0.269 1.00 0.00 C ATOM 530 CD2 PHE A 38 5.140 -1.441 2.522 1.00 0.00 C ATOM 531 CE1 PHE A 38 5.823 -1.060 -0.125 1.00 0.00 C ATOM 532 CE2 PHE A 38 5.778 -0.277 2.134 1.00 0.00 C ATOM 533 CZ PHE A 38 6.121 -0.087 0.810 1.00 0.00 C ATOM 0 H PHE A 38 1.862 -2.462 3.276 1.00 0.00 H new ATOM 0 HA PHE A 38 2.463 -3.704 0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.313 -3.846 3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.589 -4.531 1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.956 -2.979 -0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.876 -1.585 3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.088 -0.913 -1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.008 0.483 2.866 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.621 0.820 0.506 1.00 0.00 H new ATOM 543 N CYS A 39 2.242 -6.067 1.786 1.00 0.00 N ATOM 544 CA CYS A 39 1.683 -7.319 2.284 1.00 0.00 C ATOM 545 C CYS A 39 2.691 -8.053 3.163 1.00 0.00 C ATOM 546 O CYS A 39 2.734 -9.282 3.183 1.00 0.00 O ATOM 547 CB CYS A 39 1.262 -8.213 1.116 1.00 0.00 C ATOM 548 SG CYS A 39 2.653 -8.999 0.242 1.00 0.00 S ATOM 0 H CYS A 39 2.833 -6.168 0.961 1.00 0.00 H new ATOM 0 HA CYS A 39 0.806 -7.083 2.887 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.596 -8.991 1.489 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.690 -7.618 0.405 1.00 0.00 H new ATOM 553 N GLY A 40 3.501 -7.289 3.890 1.00 0.00 N ATOM 554 CA GLY A 40 4.498 -7.884 4.761 1.00 0.00 C ATOM 555 C GLY A 40 5.726 -8.349 4.005 1.00 0.00 C ATOM 556 O GLY A 40 6.853 -8.175 4.470 1.00 0.00 O ATOM 0 H GLY A 40 3.485 -6.269 3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.795 -7.158 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.057 -8.731 5.287 1.00 0.00 H new ATOM 560 N SER A 41 5.510 -8.943 2.836 1.00 0.00 N ATOM 561 CA SER A 41 6.609 -9.439 2.015 1.00 0.00 C ATOM 562 C SER A 41 7.314 -8.291 1.300 1.00 0.00 C ATOM 563 O SER A 41 8.430 -8.477 0.816 1.00 0.00 O ATOM 564 CB SER A 41 6.092 -10.452 0.992 1.00 0.00 C ATOM 565 OG SER A 41 5.805 -11.697 1.606 1.00 0.00 O ATOM 0 H SER A 41 4.584 -9.093 2.436 1.00 0.00 H new ATOM 0 HA SER A 41 7.327 -9.931 2.671 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.193 -10.063 0.513 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.835 -10.593 0.207 1.00 0.00 H new ATOM 0 HG SER A 41 5.475 -12.326 0.931 1.00 0.00 H new ATOM 571 N HIS A 42 6.656 -7.143 1.250 1.00 0.00 N ATOM 572 CA HIS A 42 7.230 -5.980 0.594 1.00 0.00 C ATOM 573 C HIS A 42 7.134 -4.767 1.522 1.00 0.00 C ATOM 574 O HIS A 42 7.150 -3.614 1.092 1.00 0.00 O ATOM 575 CB HIS A 42 6.568 -5.740 -0.765 1.00 0.00 C ATOM 576 CG HIS A 42 6.469 -6.977 -1.626 1.00 0.00 C ATOM 577 ND1 HIS A 42 5.337 -7.291 -2.358 1.00 0.00 N ATOM 578 CD2 HIS A 42 7.371 -7.972 -1.864 1.00 0.00 C ATOM 579 CE1 HIS A 42 5.560 -8.427 -3.004 1.00 0.00 C ATOM 580 NE2 HIS A 42 6.820 -8.847 -2.696 1.00 0.00 N ATOM 0 H HIS A 42 5.731 -6.993 1.653 1.00 0.00 H new ATOM 0 HA HIS A 42 8.286 -6.157 0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.567 -5.340 -0.605 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.133 -4.979 -1.304 1.00 0.00 H new ATOM 0 HD1 HIS A 42 4.478 -6.742 -2.394 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.365 -8.037 -1.446 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.865 -8.931 -3.659 1.00 0.00 H new ATOM 588 N ARG A 43 7.033 -5.057 2.815 1.00 0.00 N ATOM 589 CA ARG A 43 6.931 -4.012 3.826 1.00 0.00 C ATOM 590 C ARG A 43 8.267 -3.297 4.005 1.00 0.00 C ATOM 591 O ARG A 43 8.312 -2.133 4.404 1.00 0.00 O ATOM 592 CB ARG A 43 6.476 -4.606 5.161 1.00 0.00 C ATOM 593 CG ARG A 43 7.507 -5.518 5.805 1.00 0.00 C ATOM 594 CD ARG A 43 6.964 -6.170 7.066 1.00 0.00 C ATOM 595 NE ARG A 43 7.263 -5.385 8.261 1.00 0.00 N ATOM 596 CZ ARG A 43 8.476 -5.293 8.795 1.00 0.00 C ATOM 597 NH1 ARG A 43 9.497 -5.934 8.244 1.00 0.00 N ATOM 598 NH2 ARG A 43 8.669 -4.559 9.883 1.00 0.00 N ATOM 0 H ARG A 43 7.020 -6.007 3.187 1.00 0.00 H new ATOM 0 HA ARG A 43 6.191 -3.286 3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.242 -3.794 5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.555 -5.167 5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.806 -6.289 5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.401 -4.944 6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.885 -6.294 6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.391 -7.167 7.171 1.00 0.00 H new ATOM 0 HE ARG A 43 6.499 -4.880 8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.353 -6.500 7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.427 -5.861 8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.886 -4.065 10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.601 -4.489 10.292 1.00 0.00 H new ATOM 612 N TYR A 44 9.354 -4.001 3.708 1.00 0.00 N ATOM 613 CA TYR A 44 10.691 -3.435 3.838 1.00 0.00 C ATOM 614 C TYR A 44 10.881 -2.259 2.884 1.00 0.00 C ATOM 615 O TYR A 44 10.254 -2.176 1.828 1.00 0.00 O ATOM 616 CB TYR A 44 11.749 -4.505 3.563 1.00 0.00 C ATOM 617 CG TYR A 44 11.553 -5.771 4.366 1.00 0.00 C ATOM 618 CD1 TYR A 44 10.768 -6.810 3.880 1.00 0.00 C ATOM 619 CD2 TYR A 44 12.153 -5.929 5.609 1.00 0.00 C ATOM 620 CE1 TYR A 44 10.585 -7.968 4.610 1.00 0.00 C ATOM 621 CE2 TYR A 44 11.977 -7.085 6.345 1.00 0.00 C ATOM 622 CZ TYR A 44 11.191 -8.101 5.842 1.00 0.00 C ATOM 623 OH TYR A 44 11.013 -9.254 6.572 1.00 0.00 O ATOM 0 H TYR A 44 9.335 -4.965 3.375 1.00 0.00 H new ATOM 0 HA TYR A 44 10.806 -3.073 4.859 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.736 -4.752 2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.735 -4.094 3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.293 -6.710 2.915 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.767 -5.135 6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.971 -8.765 4.218 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.452 -7.193 7.309 1.00 0.00 H new ATOM 0 HH TYR A 44 11.508 -9.187 7.415 1.00 0.00 H new ATOM 633 N PRO A 45 11.767 -1.327 3.265 1.00 0.00 N ATOM 634 CA PRO A 45 12.061 -0.139 2.458 1.00 0.00 C ATOM 635 C PRO A 45 12.821 -0.480 1.181 1.00 0.00 C ATOM 636 O PRO A 45 12.642 0.169 0.150 1.00 0.00 O ATOM 637 CB PRO A 45 12.931 0.713 3.386 1.00 0.00 C ATOM 638 CG PRO A 45 13.559 -0.264 4.319 1.00 0.00 C ATOM 639 CD PRO A 45 12.549 -1.361 4.512 1.00 0.00 C ATOM 0 HA PRO A 45 11.153 0.362 2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.685 1.266 2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.333 1.447 3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.488 -0.657 3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 45 13.808 0.209 5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.029 -2.328 4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.922 -1.181 5.385 1.00 0.00 H new ATOM 647 N GLU A 46 13.669 -1.501 1.256 1.00 0.00 N ATOM 648 CA GLU A 46 14.455 -1.927 0.104 1.00 0.00 C ATOM 649 C GLU A 46 13.584 -2.669 -0.905 1.00 0.00 C ATOM 650 O GLU A 46 13.928 -2.771 -2.083 1.00 0.00 O ATOM 651 CB GLU A 46 15.613 -2.822 0.552 1.00 0.00 C ATOM 652 CG GLU A 46 15.166 -4.168 1.096 1.00 0.00 C ATOM 653 CD GLU A 46 16.273 -4.897 1.832 1.00 0.00 C ATOM 654 OE1 GLU A 46 16.816 -4.328 2.802 1.00 0.00 O ATOM 655 OE2 GLU A 46 16.596 -6.037 1.438 1.00 0.00 O ATOM 0 H GLU A 46 13.829 -2.048 2.102 1.00 0.00 H new ATOM 0 HA GLU A 46 14.859 -1.037 -0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.283 -2.985 -0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.187 -2.302 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.322 -4.021 1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.812 -4.789 0.273 1.00 0.00 H new ATOM 662 N LYS A 47 12.455 -3.187 -0.435 1.00 0.00 N ATOM 663 CA LYS A 47 11.532 -3.920 -1.294 1.00 0.00 C ATOM 664 C LYS A 47 10.675 -2.962 -2.115 1.00 0.00 C ATOM 665 O LYS A 47 9.743 -3.409 -2.781 1.00 0.00 O ATOM 666 CB LYS A 47 10.635 -4.832 -0.453 1.00 0.00 C ATOM 667 CG LYS A 47 11.350 -6.058 0.087 1.00 0.00 C ATOM 668 CD LYS A 47 11.222 -7.240 -0.859 1.00 0.00 C ATOM 669 CE LYS A 47 12.339 -7.252 -1.891 1.00 0.00 C ATOM 670 NZ LYS A 47 11.932 -6.581 -3.156 1.00 0.00 N ATOM 0 H LYS A 47 12.156 -3.113 0.537 1.00 0.00 H new ATOM 0 HA LYS A 47 12.120 -4.531 -1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.231 -4.260 0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.788 -5.153 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.404 -5.827 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.936 -6.323 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.243 -8.168 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.258 -7.199 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.217 -6.753 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.627 -8.282 -2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.862 -7.287 -3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.008 -6.122 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.641 -5.865 -3.413 1.00 0.00 H new ATOM 684 N HIS A 48 11.005 -1.680 -2.051 1.00 0.00 N ATOM 685 CA HIS A 48 10.260 -0.678 -2.793 1.00 0.00 C ATOM 686 C HIS A 48 11.086 0.605 -2.895 1.00 0.00 C ATOM 687 O HIS A 48 12.242 0.671 -2.477 1.00 0.00 O ATOM 688 CB HIS A 48 8.884 -0.448 -2.164 1.00 0.00 C ATOM 689 CG HIS A 48 8.934 0.148 -0.778 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.837 -0.618 0.371 1.00 0.00 N ATOM 691 CD2 HIS A 48 9.073 1.441 -0.368 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.914 0.189 1.419 1.00 0.00 C ATOM 693 NE2 HIS A 48 9.060 1.465 0.959 1.00 0.00 N ATOM 0 H HIS A 48 11.778 -1.313 -1.497 1.00 0.00 H new ATOM 0 HA HIS A 48 10.077 -1.033 -3.807 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.306 0.211 -2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.352 -1.399 -2.121 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.725 -1.631 0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 48 9.176 2.300 -1.014 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.869 -0.111 2.456 1.00 0.00 H new ATOM 701 N GLU A 49 10.463 1.632 -3.466 1.00 0.00 N ATOM 702 CA GLU A 49 11.117 2.923 -3.637 1.00 0.00 C ATOM 703 C GLU A 49 10.989 3.770 -2.374 1.00 0.00 C ATOM 704 O GLU A 49 10.568 4.926 -2.428 1.00 0.00 O ATOM 705 CB GLU A 49 10.516 3.671 -4.829 1.00 0.00 C ATOM 706 CG GLU A 49 9.018 3.898 -4.712 1.00 0.00 C ATOM 707 CD GLU A 49 8.679 5.236 -4.083 1.00 0.00 C ATOM 708 OE1 GLU A 49 9.164 6.269 -4.590 1.00 0.00 O ATOM 709 OE2 GLU A 49 7.929 5.250 -3.085 1.00 0.00 O ATOM 0 H GLU A 49 9.506 1.594 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 49 12.175 2.742 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.014 4.635 -4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.720 3.109 -5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.567 3.842 -5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.578 3.098 -4.116 1.00 0.00 H new ATOM 716 N CYS A 50 11.353 3.186 -1.237 1.00 0.00 N ATOM 717 CA CYS A 50 11.279 3.884 0.040 1.00 0.00 C ATOM 718 C CYS A 50 12.207 5.095 0.053 1.00 0.00 C ATOM 719 O CYS A 50 13.430 4.953 0.026 1.00 0.00 O ATOM 720 CB CYS A 50 11.642 2.936 1.185 1.00 0.00 C ATOM 721 SG CYS A 50 10.891 3.380 2.785 1.00 0.00 S ATOM 0 H CYS A 50 11.703 2.230 -1.175 1.00 0.00 H new ATOM 0 HA CYS A 50 10.255 4.232 0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.332 1.926 0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.726 2.917 1.297 1.00 0.00 H new ATOM 726 N SER A 51 11.618 6.285 0.096 1.00 0.00 N ATOM 727 CA SER A 51 12.391 7.521 0.109 1.00 0.00 C ATOM 728 C SER A 51 12.261 8.229 1.455 1.00 0.00 C ATOM 729 O SER A 51 12.154 9.454 1.517 1.00 0.00 O ATOM 730 CB SER A 51 11.928 8.450 -1.015 1.00 0.00 C ATOM 731 OG SER A 51 12.735 9.613 -1.081 1.00 0.00 O ATOM 0 H SER A 51 10.607 6.420 0.122 1.00 0.00 H new ATOM 0 HA SER A 51 13.439 7.266 -0.049 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.968 7.921 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.888 8.734 -0.851 1.00 0.00 H new ATOM 0 HG SER A 51 12.779 10.031 -0.196 1.00 0.00 H new ATOM 737 N PHE A 52 12.272 7.449 2.530 1.00 0.00 N ATOM 738 CA PHE A 52 12.154 7.999 3.875 1.00 0.00 C ATOM 739 C PHE A 52 13.524 8.378 4.430 1.00 0.00 C ATOM 740 O PHE A 52 14.549 7.855 3.992 1.00 0.00 O ATOM 741 CB PHE A 52 11.477 6.990 4.805 1.00 0.00 C ATOM 742 CG PHE A 52 10.994 7.591 6.093 1.00 0.00 C ATOM 743 CD1 PHE A 52 9.734 8.161 6.179 1.00 0.00 C ATOM 744 CD2 PHE A 52 11.801 7.587 7.220 1.00 0.00 C ATOM 745 CE1 PHE A 52 9.288 8.716 7.363 1.00 0.00 C ATOM 746 CE2 PHE A 52 11.360 8.140 8.408 1.00 0.00 C ATOM 747 CZ PHE A 52 10.102 8.705 8.479 1.00 0.00 C ATOM 0 H PHE A 52 12.361 6.433 2.496 1.00 0.00 H new ATOM 0 HA PHE A 52 11.542 8.899 3.819 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.632 6.539 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 52 12.179 6.187 5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.093 8.172 5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 52 12.786 7.147 7.170 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.304 9.158 7.416 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.998 8.130 9.279 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.755 9.138 9.406 1.00 0.00 H new ATOM 757 N ASP A 53 13.533 9.291 5.395 1.00 0.00 N ATOM 758 CA ASP A 53 14.776 9.740 6.010 1.00 0.00 C ATOM 759 C ASP A 53 14.977 9.083 7.372 1.00 0.00 C ATOM 760 O ASP A 53 15.099 9.765 8.390 1.00 0.00 O ATOM 761 CB ASP A 53 14.775 11.262 6.160 1.00 0.00 C ATOM 762 CG ASP A 53 13.907 11.730 7.312 1.00 0.00 C ATOM 763 OD1 ASP A 53 12.712 11.368 7.339 1.00 0.00 O ATOM 764 OD2 ASP A 53 14.422 12.458 8.186 1.00 0.00 O ATOM 0 H ASP A 53 12.694 9.734 5.768 1.00 0.00 H new ATOM 0 HA ASP A 53 15.600 9.447 5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.797 11.610 6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.420 11.715 5.234 1.00 0.00 H new ATOM 769 N PHE A 54 15.010 7.755 7.383 1.00 0.00 N ATOM 770 CA PHE A 54 15.194 7.005 8.620 1.00 0.00 C ATOM 771 C PHE A 54 16.428 7.492 9.374 1.00 0.00 C ATOM 772 O PHE A 54 16.416 7.610 10.599 1.00 0.00 O ATOM 773 CB PHE A 54 15.324 5.510 8.321 1.00 0.00 C ATOM 774 CG PHE A 54 14.101 4.919 7.679 1.00 0.00 C ATOM 775 CD1 PHE A 54 12.921 4.790 8.394 1.00 0.00 C ATOM 776 CD2 PHE A 54 14.131 4.493 6.361 1.00 0.00 C ATOM 777 CE1 PHE A 54 11.795 4.245 7.806 1.00 0.00 C ATOM 778 CE2 PHE A 54 13.008 3.948 5.767 1.00 0.00 C ATOM 779 CZ PHE A 54 11.838 3.825 6.491 1.00 0.00 C ATOM 0 H PHE A 54 14.912 7.176 6.549 1.00 0.00 H new ATOM 0 HA PHE A 54 14.318 7.169 9.247 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.181 5.352 7.666 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.530 4.978 9.250 1.00 0.00 H new ATOM 0 HD1 PHE A 54 12.881 5.119 9.422 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.043 4.588 5.791 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.882 4.148 8.375 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.045 3.619 4.739 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.958 3.401 6.030 1.00 0.00 H new ATOM 789 N LYS A 55 17.494 7.774 8.632 1.00 0.00 N ATOM 790 CA LYS A 55 18.737 8.250 9.227 1.00 0.00 C ATOM 791 C LYS A 55 18.459 9.286 10.312 1.00 0.00 C ATOM 792 O LYS A 55 18.057 10.411 10.020 1.00 0.00 O ATOM 793 CB LYS A 55 19.643 8.854 8.151 1.00 0.00 C ATOM 794 CG LYS A 55 18.949 9.887 7.281 1.00 0.00 C ATOM 795 CD LYS A 55 19.851 10.363 6.154 1.00 0.00 C ATOM 796 CE LYS A 55 19.188 11.461 5.336 1.00 0.00 C ATOM 797 NZ LYS A 55 18.061 10.938 4.516 1.00 0.00 N ATOM 0 H LYS A 55 17.522 7.681 7.617 1.00 0.00 H new ATOM 0 HA LYS A 55 19.242 7.398 9.683 1.00 0.00 H new ATOM 0 HB2 LYS A 55 20.505 9.316 8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 55 20.023 8.053 7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 55 18.038 9.459 6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 55 18.650 10.738 7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 55 20.789 10.732 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 55 20.098 9.523 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 55 18.820 12.240 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 55 19.928 11.924 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 18.312 10.990 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.873 9.949 4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 17.210 11.510 4.691 1.00 0.00 H new ATOM 811 N GLU A 56 18.679 8.897 11.564 1.00 0.00 N ATOM 812 CA GLU A 56 18.452 9.793 12.692 1.00 0.00 C ATOM 813 C GLU A 56 19.673 10.675 12.940 1.00 0.00 C ATOM 814 O GLU A 56 20.049 10.926 14.086 1.00 0.00 O ATOM 815 CB GLU A 56 18.124 8.990 13.953 1.00 0.00 C ATOM 816 CG GLU A 56 19.296 8.177 14.478 1.00 0.00 C ATOM 817 CD GLU A 56 19.379 6.800 13.848 1.00 0.00 C ATOM 818 OE1 GLU A 56 20.035 6.668 12.794 1.00 0.00 O ATOM 819 OE2 GLU A 56 18.789 5.854 14.410 1.00 0.00 O ATOM 0 H GLU A 56 19.014 7.969 11.823 1.00 0.00 H new ATOM 0 HA GLU A 56 17.605 10.434 12.449 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.789 9.674 14.733 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.293 8.318 13.740 1.00 0.00 H new ATOM 0 HG2 GLU A 56 20.223 8.717 14.286 1.00 0.00 H new ATOM 0 HG3 GLU A 56 19.206 8.073 15.559 1.00 0.00 H new ATOM 826 N VAL A 57 20.288 11.142 11.859 1.00 0.00 N ATOM 827 CA VAL A 57 21.466 11.996 11.958 1.00 0.00 C ATOM 828 C VAL A 57 21.073 13.467 12.036 1.00 0.00 C ATOM 829 O VAL A 57 20.209 13.929 11.292 1.00 0.00 O ATOM 830 CB VAL A 57 22.410 11.790 10.759 1.00 0.00 C ATOM 831 CG1 VAL A 57 21.661 11.986 9.449 1.00 0.00 C ATOM 832 CG2 VAL A 57 23.599 12.735 10.849 1.00 0.00 C ATOM 0 H VAL A 57 19.990 10.944 10.904 1.00 0.00 H new ATOM 0 HA VAL A 57 21.987 11.714 12.873 1.00 0.00 H new ATOM 0 HB VAL A 57 22.785 10.767 10.786 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.344 11.836 8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.846 11.265 9.385 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.255 12.997 9.410 1.00 0.00 H new ATOM 0 HG21 VAL A 57 24.256 12.576 9.994 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.245 13.766 10.848 1.00 0.00 H new ATOM 0 HG23 VAL A 57 24.149 12.541 11.770 1.00 0.00 H new ATOM 842 N GLY A 58 21.715 14.198 12.942 1.00 0.00 N ATOM 843 CA GLY A 58 21.419 15.610 13.100 1.00 0.00 C ATOM 844 C GLY A 58 20.721 15.913 14.411 1.00 0.00 C ATOM 845 O GLY A 58 19.583 15.496 14.627 1.00 0.00 O ATOM 0 H GLY A 58 22.434 13.838 13.569 1.00 0.00 H new ATOM 0 HA2 GLY A 58 22.346 16.181 13.045 1.00 0.00 H new ATOM 0 HA3 GLY A 58 20.791 15.941 12.273 1.00 0.00 H new ATOM 849 N SER A 59 21.405 16.639 15.290 1.00 0.00 N ATOM 850 CA SER A 59 20.845 16.993 16.589 1.00 0.00 C ATOM 851 C SER A 59 20.110 18.328 16.519 1.00 0.00 C ATOM 852 O SER A 59 20.731 19.388 16.460 1.00 0.00 O ATOM 853 CB SER A 59 21.952 17.061 17.643 1.00 0.00 C ATOM 854 OG SER A 59 21.418 17.341 18.926 1.00 0.00 O ATOM 0 H SER A 59 22.347 16.993 15.126 1.00 0.00 H new ATOM 0 HA SER A 59 20.130 16.220 16.872 1.00 0.00 H new ATOM 0 HB2 SER A 59 22.492 16.115 17.669 1.00 0.00 H new ATOM 0 HB3 SER A 59 22.672 17.832 17.369 1.00 0.00 H new ATOM 0 HG SER A 59 22.145 17.378 19.582 1.00 0.00 H new ATOM 860 N GLY A 60 18.782 18.266 16.526 1.00 0.00 N ATOM 861 CA GLY A 60 17.983 19.476 16.462 1.00 0.00 C ATOM 862 C GLY A 60 16.693 19.361 17.249 1.00 0.00 C ATOM 863 O GLY A 60 15.674 18.886 16.746 1.00 0.00 O ATOM 0 H GLY A 60 18.245 17.400 16.575 1.00 0.00 H new ATOM 0 HA2 GLY A 60 18.566 20.313 16.846 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.751 19.700 15.421 1.00 0.00 H new ATOM 867 N PRO A 61 16.726 19.802 18.516 1.00 0.00 N ATOM 868 CA PRO A 61 15.559 19.755 19.401 1.00 0.00 C ATOM 869 C PRO A 61 14.474 20.742 18.983 1.00 0.00 C ATOM 870 O PRO A 61 14.475 21.897 19.410 1.00 0.00 O ATOM 871 CB PRO A 61 16.134 20.139 20.767 1.00 0.00 C ATOM 872 CG PRO A 61 17.344 20.949 20.454 1.00 0.00 C ATOM 873 CD PRO A 61 17.906 20.379 19.181 1.00 0.00 C ATOM 0 HA PRO A 61 15.075 18.778 19.386 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.415 20.712 21.353 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.389 19.255 21.352 1.00 0.00 H new ATOM 0 HG2 PRO A 61 17.088 22.001 20.331 1.00 0.00 H new ATOM 0 HG3 PRO A 61 18.073 20.891 21.263 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.376 21.149 18.569 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.665 19.623 19.380 1.00 0.00 H new ATOM 881 N SER A 62 13.550 20.280 18.147 1.00 0.00 N ATOM 882 CA SER A 62 12.462 21.124 17.668 1.00 0.00 C ATOM 883 C SER A 62 11.897 21.976 18.801 1.00 0.00 C ATOM 884 O SER A 62 12.029 21.633 19.976 1.00 0.00 O ATOM 885 CB SER A 62 11.352 20.265 17.060 1.00 0.00 C ATOM 886 OG SER A 62 10.222 21.052 16.727 1.00 0.00 O ATOM 0 H SER A 62 13.533 19.326 17.787 1.00 0.00 H new ATOM 0 HA SER A 62 12.860 21.787 16.900 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.725 19.762 16.167 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.062 19.487 17.766 1.00 0.00 H new ATOM 0 HG SER A 62 9.528 20.480 16.339 1.00 0.00 H new ATOM 892 N SER A 63 11.268 23.089 18.439 1.00 0.00 N ATOM 893 CA SER A 63 10.686 23.994 19.423 1.00 0.00 C ATOM 894 C SER A 63 9.905 23.217 20.479 1.00 0.00 C ATOM 895 O SER A 63 9.332 22.166 20.196 1.00 0.00 O ATOM 896 CB SER A 63 9.769 25.007 18.737 1.00 0.00 C ATOM 897 OG SER A 63 10.458 25.710 17.718 1.00 0.00 O ATOM 0 H SER A 63 11.148 23.386 17.471 1.00 0.00 H new ATOM 0 HA SER A 63 11.499 24.527 19.916 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.908 24.492 18.310 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.385 25.712 19.474 1.00 0.00 H new ATOM 0 HG SER A 63 9.850 26.350 17.294 1.00 0.00 H new ATOM 903 N GLY A 64 9.887 23.745 21.700 1.00 0.00 N ATOM 904 CA GLY A 64 9.174 23.089 22.780 1.00 0.00 C ATOM 905 C GLY A 64 9.689 21.689 23.050 1.00 0.00 C ATOM 906 O GLY A 64 10.708 21.305 22.477 1.00 0.00 O ATOM 0 H GLY A 64 10.353 24.614 21.960 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.265 23.687 23.687 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.113 23.041 22.534 1.00 0.00 H new TER 910 GLY A 64 HETATM 911 ZN ZN A 200 3.555 -7.913 -1.623 1.00 0.00 ZN HETATM 912 ZN ZN A 400 8.769 2.609 2.625 1.00 0.00 ZN