USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 426 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 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00226 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00573 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.8!) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0876) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -23.681 -20.577 -19.765 1.00 0.00 N ATOM 2 CA ALA A 2 -22.196 -20.545 -19.761 1.00 0.00 C ATOM 3 C ALA A 2 -21.657 -20.362 -18.346 1.00 0.00 C ATOM 4 O ALA A 2 -21.361 -19.244 -17.923 1.00 0.00 O ATOM 5 CB ALA A 2 -21.689 -19.431 -20.665 1.00 0.00 C ATOM 0 HA ALA A 2 -21.836 -21.501 -20.142 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.599 -19.420 -20.652 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -22.038 -19.602 -21.683 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.066 -18.473 -20.308 1.00 0.00 H new ATOM 13 N SER A 3 -21.534 -21.466 -17.617 1.00 0.00 N ATOM 14 CA SER A 3 -21.031 -21.429 -16.249 1.00 0.00 C ATOM 15 C SER A 3 -19.715 -22.190 -16.131 1.00 0.00 C ATOM 16 O SER A 3 -19.632 -23.366 -16.485 1.00 0.00 O ATOM 17 CB SER A 3 -22.064 -22.021 -15.288 1.00 0.00 C ATOM 18 OG SER A 3 -23.334 -21.420 -15.469 1.00 0.00 O ATOM 0 H SER A 3 -21.776 -22.399 -17.951 1.00 0.00 H new ATOM 0 HA SER A 3 -20.852 -20.387 -15.983 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.141 -23.096 -15.450 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.733 -21.876 -14.260 1.00 0.00 H new ATOM 0 HG SER A 3 -23.976 -21.817 -14.844 1.00 0.00 H new ATOM 24 N THR A 4 -18.688 -21.511 -15.632 1.00 0.00 N ATOM 25 CA THR A 4 -17.374 -22.123 -15.467 1.00 0.00 C ATOM 26 C THR A 4 -16.951 -22.118 -14.001 1.00 0.00 C ATOM 27 O THR A 4 -16.793 -23.172 -13.387 1.00 0.00 O ATOM 28 CB THR A 4 -16.335 -21.386 -16.313 1.00 0.00 C ATOM 29 OG1 THR A 4 -16.641 -20.005 -16.392 1.00 0.00 O ATOM 30 CG2 THR A 4 -16.231 -21.915 -17.728 1.00 0.00 C ATOM 0 H THR A 4 -18.740 -20.537 -15.335 1.00 0.00 H new ATOM 0 HA THR A 4 -17.438 -23.158 -15.804 1.00 0.00 H new ATOM 0 HB THR A 4 -15.382 -21.551 -15.810 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.964 -19.551 -16.936 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.476 -21.349 -18.274 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.947 -22.967 -17.703 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.194 -21.811 -18.227 1.00 0.00 H new ATOM 38 N SER A 5 -16.770 -20.922 -13.449 1.00 0.00 N ATOM 39 CA SER A 5 -16.366 -20.779 -12.055 1.00 0.00 C ATOM 40 C SER A 5 -16.624 -19.360 -11.557 1.00 0.00 C ATOM 41 O SER A 5 -17.350 -19.157 -10.584 1.00 0.00 O ATOM 42 CB SER A 5 -14.885 -21.128 -11.893 1.00 0.00 C ATOM 43 OG SER A 5 -14.101 -20.503 -12.895 1.00 0.00 O ATOM 0 H SER A 5 -16.896 -20.040 -13.945 1.00 0.00 H new ATOM 0 HA SER A 5 -16.962 -21.469 -11.457 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.540 -20.814 -10.908 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.755 -22.209 -11.947 1.00 0.00 H new ATOM 0 HG SER A 5 -13.159 -20.740 -12.768 1.00 0.00 H new ATOM 49 N ARG A 6 -16.022 -18.383 -12.230 1.00 0.00 N ATOM 50 CA ARG A 6 -16.183 -16.980 -11.859 1.00 0.00 C ATOM 51 C ARG A 6 -15.481 -16.680 -10.538 1.00 0.00 C ATOM 52 O ARG A 6 -14.525 -15.905 -10.495 1.00 0.00 O ATOM 53 CB ARG A 6 -17.667 -16.618 -11.757 1.00 0.00 C ATOM 54 CG ARG A 6 -17.963 -15.165 -12.090 1.00 0.00 C ATOM 55 CD ARG A 6 -19.323 -14.738 -11.562 1.00 0.00 C ATOM 56 NE ARG A 6 -19.219 -14.029 -10.288 1.00 0.00 N ATOM 57 CZ ARG A 6 -20.179 -13.249 -9.794 1.00 0.00 C ATOM 58 NH1 ARG A 6 -21.313 -13.077 -10.461 1.00 0.00 N ATOM 59 NH2 ARG A 6 -20.004 -12.643 -8.627 1.00 0.00 N ATOM 0 H ARG A 6 -15.417 -18.538 -13.037 1.00 0.00 H new ATOM 0 HA ARG A 6 -15.724 -16.373 -12.639 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.236 -17.259 -12.430 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.015 -16.829 -10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -17.189 -14.528 -11.662 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.931 -15.024 -13.170 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -19.811 -14.096 -12.295 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -19.955 -15.617 -11.437 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.362 -14.138 -9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -21.453 -13.543 -11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -22.044 -12.478 -10.078 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.135 -12.775 -8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.738 -12.045 -8.248 1.00 0.00 H new ATOM 73 N LEU A 7 -15.962 -17.296 -9.462 1.00 0.00 N ATOM 74 CA LEU A 7 -15.381 -17.094 -8.139 1.00 0.00 C ATOM 75 C LEU A 7 -15.559 -15.651 -7.681 1.00 0.00 C ATOM 76 O LEU A 7 -15.374 -14.715 -8.459 1.00 0.00 O ATOM 77 CB LEU A 7 -13.894 -17.459 -8.144 1.00 0.00 C ATOM 78 CG LEU A 7 -13.573 -18.870 -8.644 1.00 0.00 C ATOM 79 CD1 LEU A 7 -12.922 -18.818 -10.019 1.00 0.00 C ATOM 80 CD2 LEU A 7 -12.671 -19.596 -7.655 1.00 0.00 C ATOM 0 H LEU A 7 -16.753 -17.940 -9.481 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.904 -17.747 -7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.361 -16.740 -8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.506 -17.352 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.509 -19.423 -8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.702 -19.831 -10.356 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.601 -18.340 -10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.996 -18.246 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.454 -20.597 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.739 -19.042 -7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.173 -19.669 -6.690 1.00 0.00 H new ATOM 92 N ASP A 8 -15.918 -15.478 -6.413 1.00 0.00 N ATOM 93 CA ASP A 8 -16.121 -14.147 -5.850 1.00 0.00 C ATOM 94 C ASP A 8 -14.810 -13.367 -5.814 1.00 0.00 C ATOM 95 O ASP A 8 -13.796 -13.860 -5.319 1.00 0.00 O ATOM 96 CB ASP A 8 -16.709 -14.251 -4.441 1.00 0.00 C ATOM 97 CG ASP A 8 -17.882 -13.313 -4.234 1.00 0.00 C ATOM 98 OD1 ASP A 8 -17.786 -12.140 -4.652 1.00 0.00 O ATOM 99 OD2 ASP A 8 -18.898 -13.753 -3.656 1.00 0.00 O ATOM 0 H ASP A 8 -16.074 -16.242 -5.756 1.00 0.00 H new ATOM 0 HA ASP A 8 -16.823 -13.611 -6.489 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -17.031 -15.276 -4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.933 -14.026 -3.709 1.00 0.00 H new ATOM 104 N ALA A 9 -14.839 -12.147 -6.339 1.00 0.00 N ATOM 105 CA ALA A 9 -13.654 -11.299 -6.366 1.00 0.00 C ATOM 106 C ALA A 9 -13.883 -10.013 -5.579 1.00 0.00 C ATOM 107 O ALA A 9 -15.016 -9.680 -5.231 1.00 0.00 O ATOM 108 CB ALA A 9 -13.265 -10.981 -7.801 1.00 0.00 C ATOM 0 H ALA A 9 -15.670 -11.724 -6.751 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.836 -11.843 -5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.378 -10.347 -7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.051 -11.908 -8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.086 -10.460 -8.294 1.00 0.00 H new ATOM 114 N LEU A 10 -12.801 -9.293 -5.305 1.00 0.00 N ATOM 115 CA LEU A 10 -12.884 -8.042 -4.558 1.00 0.00 C ATOM 116 C LEU A 10 -11.511 -7.383 -4.445 1.00 0.00 C ATOM 117 O LEU A 10 -11.304 -6.271 -4.933 1.00 0.00 O ATOM 118 CB LEU A 10 -13.466 -8.293 -3.164 1.00 0.00 C ATOM 119 CG LEU A 10 -14.844 -7.672 -2.915 1.00 0.00 C ATOM 120 CD1 LEU A 10 -15.815 -8.715 -2.382 1.00 0.00 C ATOM 121 CD2 LEU A 10 -14.737 -6.501 -1.950 1.00 0.00 C ATOM 0 H LEU A 10 -11.856 -9.553 -5.588 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.545 -7.366 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.535 -9.369 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.770 -7.904 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.227 -7.301 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -16.788 -8.253 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.918 -9.521 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.436 -9.119 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.726 -6.073 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.330 -6.848 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.079 -5.741 -2.371 1.00 0.00 H new ATOM 133 N PRO A 11 -10.548 -8.062 -3.798 1.00 0.00 N ATOM 134 CA PRO A 11 -9.192 -7.534 -3.623 1.00 0.00 C ATOM 135 C PRO A 11 -8.382 -7.581 -4.915 1.00 0.00 C ATOM 136 O PRO A 11 -8.097 -8.656 -5.442 1.00 0.00 O ATOM 137 CB PRO A 11 -8.585 -8.469 -2.577 1.00 0.00 C ATOM 138 CG PRO A 11 -9.310 -9.758 -2.758 1.00 0.00 C ATOM 139 CD PRO A 11 -10.708 -9.394 -3.184 1.00 0.00 C ATOM 0 HA PRO A 11 -9.195 -6.485 -3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.513 -8.592 -2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.720 -8.077 -1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.822 -10.377 -3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.322 -10.332 -1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.112 -10.116 -3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.391 -9.365 -2.335 1.00 0.00 H new ATOM 147 N ARG A 12 -8.015 -6.407 -5.419 1.00 0.00 N ATOM 148 CA ARG A 12 -7.237 -6.315 -6.650 1.00 0.00 C ATOM 149 C ARG A 12 -5.751 -6.153 -6.345 1.00 0.00 C ATOM 150 O ARG A 12 -5.042 -5.416 -7.029 1.00 0.00 O ATOM 151 CB ARG A 12 -7.726 -5.139 -7.500 1.00 0.00 C ATOM 152 CG ARG A 12 -8.874 -5.497 -8.429 1.00 0.00 C ATOM 153 CD ARG A 12 -9.395 -4.272 -9.165 1.00 0.00 C ATOM 154 NE ARG A 12 -8.328 -3.556 -9.860 1.00 0.00 N ATOM 155 CZ ARG A 12 -8.439 -2.303 -10.294 1.00 0.00 C ATOM 156 NH1 ARG A 12 -9.566 -1.626 -10.109 1.00 0.00 N ATOM 157 NH2 ARG A 12 -7.421 -1.726 -10.917 1.00 0.00 N ATOM 0 H ARG A 12 -8.243 -5.508 -4.995 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.376 -7.241 -7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.042 -4.331 -6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.894 -4.759 -8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.541 -6.243 -9.151 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.682 -5.949 -7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.155 -4.577 -9.884 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.879 -3.601 -8.455 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.447 -4.045 -10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.353 -2.066 -9.632 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.645 -0.666 -10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.554 -2.242 -11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.505 -0.766 -11.250 1.00 0.00 H new ATOM 171 N VAL A 13 -5.287 -6.848 -5.312 1.00 0.00 N ATOM 172 CA VAL A 13 -3.886 -6.783 -4.915 1.00 0.00 C ATOM 173 C VAL A 13 -3.428 -8.106 -4.304 1.00 0.00 C ATOM 174 O VAL A 13 -3.020 -8.161 -3.145 1.00 0.00 O ATOM 175 CB VAL A 13 -3.644 -5.641 -3.905 1.00 0.00 C ATOM 176 CG1 VAL A 13 -4.442 -5.872 -2.630 1.00 0.00 C ATOM 177 CG2 VAL A 13 -2.159 -5.502 -3.600 1.00 0.00 C ATOM 0 H VAL A 13 -5.861 -7.463 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.305 -6.586 -5.816 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.987 -4.708 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.257 -5.056 -1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.505 -5.912 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.137 -6.814 -2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.008 -4.692 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.786 -6.434 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.618 -5.280 -4.520 1.00 0.00 H new ATOM 187 N THR A 14 -3.503 -9.171 -5.096 1.00 0.00 N ATOM 188 CA THR A 14 -3.099 -10.495 -4.635 1.00 0.00 C ATOM 189 C THR A 14 -1.910 -11.016 -5.437 1.00 0.00 C ATOM 190 O THR A 14 -1.385 -10.325 -6.311 1.00 0.00 O ATOM 191 CB THR A 14 -4.269 -11.474 -4.745 1.00 0.00 C ATOM 192 OG1 THR A 14 -4.852 -11.415 -6.035 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.365 -11.212 -3.733 1.00 0.00 C ATOM 0 H THR A 14 -3.839 -9.143 -6.059 1.00 0.00 H new ATOM 0 HA THR A 14 -2.799 -10.410 -3.591 1.00 0.00 H new ATOM 0 HB THR A 14 -3.843 -12.458 -4.549 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.597 -12.049 -6.086 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.164 -11.941 -3.865 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.958 -11.298 -2.725 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.762 -10.208 -3.879 1.00 0.00 H new ATOM 201 N CYS A 15 -1.491 -12.238 -5.128 1.00 0.00 N ATOM 202 CA CYS A 15 -0.365 -12.862 -5.811 1.00 0.00 C ATOM 203 C CYS A 15 -0.770 -13.345 -7.204 1.00 0.00 C ATOM 204 O CYS A 15 -1.826 -13.957 -7.371 1.00 0.00 O ATOM 205 CB CYS A 15 0.155 -14.038 -4.983 1.00 0.00 C ATOM 206 SG CYS A 15 1.764 -14.673 -5.511 1.00 0.00 S ATOM 0 H CYS A 15 -1.917 -12.818 -4.405 1.00 0.00 H new ATOM 0 HA CYS A 15 0.424 -12.119 -5.923 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.225 -13.729 -3.940 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.573 -14.848 -5.027 1.00 0.00 H new ATOM 211 N PRO A 16 0.063 -13.078 -8.227 1.00 0.00 N ATOM 212 CA PRO A 16 -0.225 -13.496 -9.604 1.00 0.00 C ATOM 213 C PRO A 16 -0.193 -15.013 -9.771 1.00 0.00 C ATOM 214 O PRO A 16 -0.804 -15.559 -10.689 1.00 0.00 O ATOM 215 CB PRO A 16 0.895 -12.845 -10.420 1.00 0.00 C ATOM 216 CG PRO A 16 2.002 -12.636 -9.447 1.00 0.00 C ATOM 217 CD PRO A 16 1.344 -12.355 -8.126 1.00 0.00 C ATOM 0 HA PRO A 16 -1.226 -13.197 -9.916 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.208 -13.486 -11.244 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.569 -11.901 -10.857 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.639 -13.518 -9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.637 -11.804 -9.751 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.945 -12.716 -7.292 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.192 -11.287 -7.971 1.00 0.00 H new ATOM 225 N ASN A 17 0.523 -15.689 -8.877 1.00 0.00 N ATOM 226 CA ASN A 17 0.634 -17.143 -8.928 1.00 0.00 C ATOM 227 C ASN A 17 -0.110 -17.795 -7.766 1.00 0.00 C ATOM 228 O ASN A 17 -0.451 -18.977 -7.822 1.00 0.00 O ATOM 229 CB ASN A 17 2.105 -17.563 -8.908 1.00 0.00 C ATOM 230 CG ASN A 17 2.747 -17.483 -10.280 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.399 -18.240 -11.186 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.693 -16.564 -10.438 1.00 0.00 N ATOM 0 H ASN A 17 1.034 -15.254 -8.109 1.00 0.00 H new ATOM 0 HA ASN A 17 0.177 -17.482 -9.858 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.653 -16.924 -8.215 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.184 -18.583 -8.532 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.162 -16.465 -11.338 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.950 -15.957 -9.659 1.00 0.00 H new ATOM 239 N HIS A 18 -0.362 -17.021 -6.714 1.00 0.00 N ATOM 240 CA HIS A 18 -1.069 -17.527 -5.541 1.00 0.00 C ATOM 241 C HIS A 18 -2.386 -16.779 -5.339 1.00 0.00 C ATOM 242 O HIS A 18 -2.514 -15.970 -4.419 1.00 0.00 O ATOM 243 CB HIS A 18 -0.197 -17.391 -4.291 1.00 0.00 C ATOM 244 CG HIS A 18 1.012 -18.271 -4.297 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.269 -17.760 -4.069 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.099 -19.608 -4.488 1.00 0.00 C ATOM 247 CE1 HIS A 18 3.086 -18.801 -4.123 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.422 -19.938 -4.376 1.00 0.00 N ATOM 0 H HIS A 18 -0.087 -16.041 -6.650 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.288 -18.582 -5.707 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.122 -16.353 -4.193 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.799 -17.624 -3.413 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.281 -20.284 -4.690 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.155 -18.741 -3.981 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.826 -20.870 -4.467 1.00 0.00 H new ATOM 256 N PRO A 19 -3.386 -17.042 -6.198 1.00 0.00 N ATOM 257 CA PRO A 19 -4.695 -16.390 -6.105 1.00 0.00 C ATOM 258 C PRO A 19 -5.447 -16.786 -4.840 1.00 0.00 C ATOM 259 O PRO A 19 -6.242 -16.011 -4.308 1.00 0.00 O ATOM 260 CB PRO A 19 -5.437 -16.887 -7.348 1.00 0.00 C ATOM 261 CG PRO A 19 -4.759 -18.162 -7.714 1.00 0.00 C ATOM 262 CD PRO A 19 -3.319 -17.993 -7.322 1.00 0.00 C ATOM 0 HA PRO A 19 -4.605 -15.305 -6.057 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.495 -17.048 -7.139 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.379 -16.161 -8.159 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.209 -19.007 -7.192 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.852 -18.361 -8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.869 -18.940 -7.022 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.721 -17.602 -8.145 1.00 0.00 H new ATOM 270 N ASP A 20 -5.188 -17.998 -4.360 1.00 0.00 N ATOM 271 CA ASP A 20 -5.838 -18.497 -3.154 1.00 0.00 C ATOM 272 C ASP A 20 -5.324 -17.764 -1.921 1.00 0.00 C ATOM 273 O ASP A 20 -6.092 -17.126 -1.200 1.00 0.00 O ATOM 274 CB ASP A 20 -5.600 -20.001 -3.005 1.00 0.00 C ATOM 275 CG ASP A 20 -6.348 -20.809 -4.048 1.00 0.00 C ATOM 276 OD1 ASP A 20 -6.481 -20.325 -5.191 1.00 0.00 O ATOM 277 OD2 ASP A 20 -6.800 -21.927 -3.720 1.00 0.00 O ATOM 0 H ASP A 20 -4.533 -18.652 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.909 -18.315 -3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.533 -20.207 -3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.912 -20.319 -2.010 1.00 0.00 H new ATOM 282 N ALA A 21 -4.019 -17.856 -1.686 1.00 0.00 N ATOM 283 CA ALA A 21 -3.399 -17.198 -0.542 1.00 0.00 C ATOM 284 C ALA A 21 -3.136 -15.725 -0.840 1.00 0.00 C ATOM 285 O ALA A 21 -2.288 -15.392 -1.667 1.00 0.00 O ATOM 286 CB ALA A 21 -2.107 -17.906 -0.163 1.00 0.00 C ATOM 0 H ALA A 21 -3.370 -18.380 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.087 -17.254 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.655 -17.404 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.323 -18.942 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.417 -17.879 -1.006 1.00 0.00 H new ATOM 292 N ILE A 22 -3.871 -14.848 -0.164 1.00 0.00 N ATOM 293 CA ILE A 22 -3.716 -13.412 -0.360 1.00 0.00 C ATOM 294 C ILE A 22 -2.523 -12.874 0.422 1.00 0.00 C ATOM 295 O ILE A 22 -2.289 -13.264 1.565 1.00 0.00 O ATOM 296 CB ILE A 22 -4.987 -12.646 0.061 1.00 0.00 C ATOM 297 CG1 ILE A 22 -4.840 -11.153 -0.244 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.275 -12.863 1.539 1.00 0.00 C ATOM 299 CD1 ILE A 22 -6.148 -10.477 -0.593 1.00 0.00 C ATOM 0 H ILE A 22 -4.579 -15.107 0.523 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.545 -13.255 -1.425 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.828 -13.033 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.402 -10.655 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.142 -11.026 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.175 -12.315 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.424 -13.926 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.433 -12.503 2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.969 -9.421 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.577 -10.950 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.841 -10.572 0.243 1.00 0.00 H new ATOM 311 N LEU A 23 -1.772 -11.972 -0.204 1.00 0.00 N ATOM 312 CA LEU A 23 -0.606 -11.373 0.433 1.00 0.00 C ATOM 313 C LEU A 23 -0.996 -10.673 1.731 1.00 0.00 C ATOM 314 O LEU A 23 -1.600 -9.600 1.711 1.00 0.00 O ATOM 315 CB LEU A 23 0.060 -10.379 -0.519 1.00 0.00 C ATOM 316 CG LEU A 23 1.252 -10.935 -1.293 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.779 -11.793 -2.456 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.142 -9.806 -1.787 1.00 0.00 C ATOM 0 H LEU A 23 -1.951 -11.641 -1.152 1.00 0.00 H new ATOM 0 HA LEU A 23 0.101 -12.168 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.685 -10.025 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.389 -9.513 0.055 1.00 0.00 H new ATOM 0 HG LEU A 23 1.837 -11.562 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.642 -12.181 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.185 -12.624 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.170 -11.190 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.986 -10.222 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.569 -9.152 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.510 -9.234 -0.936 1.00 0.00 H new ATOM 330 N VAL A 24 -0.644 -11.284 2.856 1.00 0.00 N ATOM 331 CA VAL A 24 -0.954 -10.719 4.163 1.00 0.00 C ATOM 332 C VAL A 24 -0.174 -9.425 4.391 1.00 0.00 C ATOM 333 O VAL A 24 0.385 -8.856 3.454 1.00 0.00 O ATOM 334 CB VAL A 24 -0.653 -11.735 5.294 1.00 0.00 C ATOM 335 CG1 VAL A 24 0.788 -11.628 5.781 1.00 0.00 C ATOM 336 CG2 VAL A 24 -1.637 -11.570 6.447 1.00 0.00 C ATOM 0 H VAL A 24 -0.143 -12.172 2.889 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.020 -10.491 4.184 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.779 -12.735 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.959 -12.356 6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.468 -11.827 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.968 -10.624 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.406 -12.294 7.229 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.558 -10.561 6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.652 -11.737 6.086 1.00 0.00 H new ATOM 346 N GLU A 25 -0.140 -8.968 5.635 1.00 0.00 N ATOM 347 CA GLU A 25 0.573 -7.744 5.980 1.00 0.00 C ATOM 348 C GLU A 25 1.455 -7.957 7.205 1.00 0.00 C ATOM 349 O GLU A 25 1.167 -8.802 8.051 1.00 0.00 O ATOM 350 CB GLU A 25 -0.417 -6.608 6.242 1.00 0.00 C ATOM 351 CG GLU A 25 -1.330 -6.315 5.063 1.00 0.00 C ATOM 352 CD GLU A 25 -1.634 -4.837 4.916 1.00 0.00 C ATOM 353 OE1 GLU A 25 -0.857 -4.136 4.233 1.00 0.00 O ATOM 354 OE2 GLU A 25 -2.647 -4.379 5.486 1.00 0.00 O ATOM 0 H GLU A 25 -0.598 -9.426 6.423 1.00 0.00 H new ATOM 0 HA GLU A 25 1.210 -7.474 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.027 -6.861 7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.138 -5.704 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.864 -6.679 4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.264 -6.864 5.186 1.00 0.00 H new ATOM 361 N ASP A 26 2.533 -7.184 7.293 1.00 0.00 N ATOM 362 CA ASP A 26 3.458 -7.289 8.415 1.00 0.00 C ATOM 363 C ASP A 26 2.780 -6.875 9.717 1.00 0.00 C ATOM 364 O ASP A 26 2.896 -7.560 10.733 1.00 0.00 O ATOM 365 CB ASP A 26 4.693 -6.419 8.169 1.00 0.00 C ATOM 366 CG ASP A 26 4.351 -4.946 8.055 1.00 0.00 C ATOM 367 OD1 ASP A 26 4.019 -4.500 6.937 1.00 0.00 O ATOM 368 OD2 ASP A 26 4.415 -4.241 9.083 1.00 0.00 O ATOM 0 H ASP A 26 2.787 -6.479 6.601 1.00 0.00 H new ATOM 0 HA ASP A 26 3.769 -8.330 8.503 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.403 -6.562 8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.188 -6.746 7.254 1.00 0.00 H new ATOM 373 N TYR A 27 2.069 -5.751 9.679 1.00 0.00 N ATOM 374 CA TYR A 27 1.370 -5.249 10.856 1.00 0.00 C ATOM 375 C TYR A 27 0.622 -3.958 10.534 1.00 0.00 C ATOM 376 O TYR A 27 -0.604 -3.950 10.426 1.00 0.00 O ATOM 377 CB TYR A 27 2.356 -5.014 12.003 1.00 0.00 C ATOM 378 CG TYR A 27 1.904 -5.600 13.321 1.00 0.00 C ATOM 379 CD1 TYR A 27 1.535 -6.935 13.419 1.00 0.00 C ATOM 380 CD2 TYR A 27 1.846 -4.818 14.468 1.00 0.00 C ATOM 381 CE1 TYR A 27 1.119 -7.475 14.621 1.00 0.00 C ATOM 382 CE2 TYR A 27 1.433 -5.350 15.674 1.00 0.00 C ATOM 383 CZ TYR A 27 1.071 -6.678 15.746 1.00 0.00 C ATOM 384 OH TYR A 27 0.659 -7.212 16.945 1.00 0.00 O ATOM 0 H TYR A 27 1.962 -5.172 8.846 1.00 0.00 H new ATOM 0 HA TYR A 27 0.643 -6.000 11.164 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.321 -5.445 11.735 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.509 -3.942 12.125 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.574 -7.562 12.541 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.129 -3.777 14.416 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.833 -8.515 14.679 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.394 -4.728 16.556 1.00 0.00 H new ATOM 0 HH TYR A 27 0.683 -6.519 17.637 1.00 0.00 H new ATOM 394 N ARG A 28 1.368 -2.867 10.385 1.00 0.00 N ATOM 395 CA ARG A 28 0.771 -1.570 10.080 1.00 0.00 C ATOM 396 C ARG A 28 1.770 -0.643 9.401 1.00 0.00 C ATOM 397 O ARG A 28 1.623 0.579 9.428 1.00 0.00 O ATOM 398 CB ARG A 28 0.262 -0.921 11.358 1.00 0.00 C ATOM 399 CG ARG A 28 -1.078 -0.222 11.198 1.00 0.00 C ATOM 400 CD ARG A 28 -2.178 -1.206 10.829 1.00 0.00 C ATOM 401 NE ARG A 28 -2.472 -1.186 9.398 1.00 0.00 N ATOM 402 CZ ARG A 28 -3.322 -2.021 8.806 1.00 0.00 C ATOM 403 NH1 ARG A 28 -3.964 -2.940 9.517 1.00 0.00 N ATOM 404 NH2 ARG A 28 -3.532 -1.938 7.499 1.00 0.00 N ATOM 0 H ARG A 28 2.384 -2.855 10.470 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.059 -1.737 9.394 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.174 -1.684 12.132 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.999 -0.198 11.706 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.338 0.285 12.127 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.000 0.545 10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.879 -2.212 11.124 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.082 -0.966 11.388 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.998 -0.492 8.820 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.807 -3.009 10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.615 -3.577 9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.042 -1.234 6.947 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.184 -2.578 7.045 1.00 0.00 H new ATOM 418 N ALA A 29 2.779 -1.237 8.797 1.00 0.00 N ATOM 419 CA ALA A 29 3.815 -0.482 8.105 1.00 0.00 C ATOM 420 C ALA A 29 3.452 -0.266 6.640 1.00 0.00 C ATOM 421 O ALA A 29 3.778 0.768 6.055 1.00 0.00 O ATOM 422 CB ALA A 29 5.153 -1.197 8.218 1.00 0.00 C ATOM 0 H ALA A 29 2.908 -2.248 8.769 1.00 0.00 H new ATOM 0 HA ALA A 29 3.895 0.496 8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.918 -0.622 7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.426 -1.295 9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.075 -2.188 7.770 1.00 0.00 H new ATOM 428 N GLY A 30 2.775 -1.246 6.053 1.00 0.00 N ATOM 429 CA GLY A 30 2.377 -1.145 4.661 1.00 0.00 C ATOM 430 C GLY A 30 3.102 -2.136 3.771 1.00 0.00 C ATOM 431 O GLY A 30 3.160 -1.960 2.554 1.00 0.00 O ATOM 0 H GLY A 30 2.494 -2.110 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.303 -1.310 4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.571 -0.133 4.305 1.00 0.00 H new ATOM 435 N ASP A 31 3.655 -3.184 4.376 1.00 0.00 N ATOM 436 CA ASP A 31 4.377 -4.205 3.628 1.00 0.00 C ATOM 437 C ASP A 31 3.560 -5.489 3.538 1.00 0.00 C ATOM 438 O ASP A 31 3.243 -6.106 4.555 1.00 0.00 O ATOM 439 CB ASP A 31 5.728 -4.492 4.285 1.00 0.00 C ATOM 440 CG ASP A 31 6.749 -3.405 4.008 1.00 0.00 C ATOM 441 OD1 ASP A 31 6.552 -2.269 4.488 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.746 -3.690 3.310 1.00 0.00 O ATOM 0 H ASP A 31 3.616 -3.347 5.382 1.00 0.00 H new ATOM 0 HA ASP A 31 4.546 -3.829 2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.591 -4.592 5.362 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.110 -5.446 3.922 1.00 0.00 H new ATOM 447 N MET A 32 3.220 -5.884 2.316 1.00 0.00 N ATOM 448 CA MET A 32 2.438 -7.095 2.097 1.00 0.00 C ATOM 449 C MET A 32 3.344 -8.284 1.792 1.00 0.00 C ATOM 450 O MET A 32 4.262 -8.184 0.979 1.00 0.00 O ATOM 451 CB MET A 32 1.446 -6.884 0.950 1.00 0.00 C ATOM 452 CG MET A 32 0.503 -5.711 1.170 1.00 0.00 C ATOM 453 SD MET A 32 0.177 -4.787 -0.344 1.00 0.00 S ATOM 454 CE MET A 32 -1.421 -4.072 0.034 1.00 0.00 C ATOM 0 H MET A 32 3.473 -5.384 1.464 1.00 0.00 H new ATOM 0 HA MET A 32 1.886 -7.311 3.012 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.001 -6.725 0.025 1.00 0.00 H new ATOM 0 HB3 MET A 32 0.858 -7.792 0.817 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.439 -6.079 1.576 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.931 -5.040 1.915 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.759 -3.469 -0.809 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.141 -4.869 0.222 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.337 -3.442 0.920 1.00 0.00 H new ATOM 464 N ILE A 33 3.081 -9.409 2.451 1.00 0.00 N ATOM 465 CA ILE A 33 3.872 -10.619 2.250 1.00 0.00 C ATOM 466 C ILE A 33 2.983 -11.793 1.858 1.00 0.00 C ATOM 467 O ILE A 33 1.885 -11.948 2.384 1.00 0.00 O ATOM 468 CB ILE A 33 4.662 -10.994 3.520 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.485 -9.800 4.004 1.00 0.00 C ATOM 470 CG2 ILE A 33 5.564 -12.194 3.256 1.00 0.00 C ATOM 471 CD1 ILE A 33 6.424 -9.259 2.951 1.00 0.00 C ATOM 0 H ILE A 33 2.326 -9.508 3.129 1.00 0.00 H new ATOM 0 HA ILE A 33 4.574 -10.408 1.444 1.00 0.00 H new ATOM 0 HB ILE A 33 3.952 -11.266 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.809 -9.006 4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.063 -10.096 4.880 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.113 -12.443 4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.956 -13.047 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.269 -11.951 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.978 -8.413 3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.122 -10.040 2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.849 -8.933 2.084 1.00 0.00 H new ATOM 483 N CYS A 34 3.461 -12.623 0.935 1.00 0.00 N ATOM 484 CA CYS A 34 2.688 -13.779 0.492 1.00 0.00 C ATOM 485 C CYS A 34 3.110 -15.038 1.244 1.00 0.00 C ATOM 486 O CYS A 34 4.204 -15.556 1.036 1.00 0.00 O ATOM 487 CB CYS A 34 2.868 -13.987 -1.009 1.00 0.00 C ATOM 488 SG CYS A 34 1.763 -15.223 -1.733 1.00 0.00 S ATOM 0 H CYS A 34 4.370 -12.519 0.484 1.00 0.00 H new ATOM 0 HA CYS A 34 1.637 -13.586 0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.710 -13.035 -1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.899 -14.283 -1.201 1.00 0.00 H new ATOM 493 N PRO A 35 2.246 -15.556 2.135 1.00 0.00 N ATOM 494 CA PRO A 35 2.549 -16.760 2.913 1.00 0.00 C ATOM 495 C PRO A 35 2.983 -17.930 2.034 1.00 0.00 C ATOM 496 O PRO A 35 3.635 -18.863 2.505 1.00 0.00 O ATOM 497 CB PRO A 35 1.228 -17.080 3.614 1.00 0.00 C ATOM 498 CG PRO A 35 0.508 -15.778 3.683 1.00 0.00 C ATOM 499 CD PRO A 35 0.911 -15.013 2.454 1.00 0.00 C ATOM 0 HA PRO A 35 3.380 -16.597 3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.654 -17.820 3.057 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.398 -17.491 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.571 -15.930 3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.776 -15.232 4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.208 -15.168 1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.948 -13.940 2.643 1.00 0.00 H new ATOM 507 N GLU A 36 2.615 -17.882 0.756 1.00 0.00 N ATOM 508 CA GLU A 36 2.965 -18.945 -0.178 1.00 0.00 C ATOM 509 C GLU A 36 4.396 -18.781 -0.696 1.00 0.00 C ATOM 510 O GLU A 36 5.320 -19.408 -0.178 1.00 0.00 O ATOM 511 CB GLU A 36 1.973 -18.975 -1.341 1.00 0.00 C ATOM 512 CG GLU A 36 0.546 -19.277 -0.915 1.00 0.00 C ATOM 513 CD GLU A 36 0.167 -20.729 -1.133 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.172 -21.088 -2.279 1.00 0.00 O ATOM 515 OE2 GLU A 36 0.210 -21.507 -0.156 1.00 0.00 O ATOM 0 H GLU A 36 2.076 -17.120 0.346 1.00 0.00 H new ATOM 0 HA GLU A 36 2.912 -19.894 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.995 -18.012 -1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.295 -19.726 -2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.425 -19.028 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.139 -18.639 -1.474 1.00 0.00 H new ATOM 522 N CYS A 37 4.582 -17.941 -1.715 1.00 0.00 N ATOM 523 CA CYS A 37 5.914 -17.720 -2.276 1.00 0.00 C ATOM 524 C CYS A 37 6.796 -16.956 -1.298 1.00 0.00 C ATOM 525 O CYS A 37 8.016 -17.122 -1.288 1.00 0.00 O ATOM 526 CB CYS A 37 5.848 -16.947 -3.599 1.00 0.00 C ATOM 527 SG CYS A 37 4.937 -15.392 -3.524 1.00 0.00 S ATOM 0 H CYS A 37 3.837 -17.409 -2.164 1.00 0.00 H new ATOM 0 HA CYS A 37 6.345 -18.703 -2.464 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.865 -16.740 -3.933 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.388 -17.585 -4.353 1.00 0.00 H new ATOM 532 N GLY A 38 6.176 -16.108 -0.489 1.00 0.00 N ATOM 533 CA GLY A 38 6.928 -15.320 0.466 1.00 0.00 C ATOM 534 C GLY A 38 7.525 -14.088 -0.176 1.00 0.00 C ATOM 535 O GLY A 38 8.714 -13.811 -0.020 1.00 0.00 O ATOM 0 H GLY A 38 5.168 -15.952 -0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.276 -15.023 1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.724 -15.929 0.895 1.00 0.00 H new ATOM 539 N LEU A 39 6.696 -13.344 -0.904 1.00 0.00 N ATOM 540 CA LEU A 39 7.155 -12.133 -1.574 1.00 0.00 C ATOM 541 C LEU A 39 6.881 -10.914 -0.707 1.00 0.00 C ATOM 542 O LEU A 39 6.277 -11.031 0.354 1.00 0.00 O ATOM 543 CB LEU A 39 6.481 -11.988 -2.943 1.00 0.00 C ATOM 544 CG LEU A 39 5.081 -11.366 -2.926 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.129 -9.928 -3.419 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.120 -12.188 -3.773 1.00 0.00 C ATOM 0 H LEU A 39 5.709 -13.558 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 39 8.231 -12.209 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.122 -11.380 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.416 -12.974 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 39 4.719 -11.365 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.125 -9.503 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.783 -9.343 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.513 -9.906 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.131 -11.731 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.479 -12.222 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.061 -13.201 -3.376 1.00 0.00 H new ATOM 558 N VAL A 40 7.333 -9.750 -1.156 1.00 0.00 N ATOM 559 CA VAL A 40 7.133 -8.519 -0.404 1.00 0.00 C ATOM 560 C VAL A 40 6.768 -7.358 -1.321 1.00 0.00 C ATOM 561 O VAL A 40 7.598 -6.880 -2.094 1.00 0.00 O ATOM 562 CB VAL A 40 8.392 -8.143 0.400 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.102 -6.980 1.336 1.00 0.00 C ATOM 564 CG2 VAL A 40 8.912 -9.345 1.175 1.00 0.00 C ATOM 0 H VAL A 40 7.839 -9.633 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 40 6.308 -8.704 0.284 1.00 0.00 H new ATOM 0 HB VAL A 40 9.166 -7.830 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.004 -6.729 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.784 -6.115 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.311 -7.261 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.801 -9.059 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.144 -9.693 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.164 -10.145 0.479 1.00 0.00 H new ATOM 574 N VAL A 41 5.523 -6.905 -1.227 1.00 0.00 N ATOM 575 CA VAL A 41 5.049 -5.795 -2.045 1.00 0.00 C ATOM 576 C VAL A 41 5.199 -4.469 -1.308 1.00 0.00 C ATOM 577 O VAL A 41 4.829 -4.351 -0.139 1.00 0.00 O ATOM 578 CB VAL A 41 3.575 -5.979 -2.448 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.157 -4.913 -3.448 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.349 -7.371 -3.017 1.00 0.00 C ATOM 0 H VAL A 41 4.823 -7.290 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 41 5.663 -5.782 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 41 2.957 -5.870 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.112 -5.060 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.280 -3.927 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.779 -4.987 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.302 -7.484 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.977 -7.511 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.606 -8.117 -2.266 1.00 0.00 H new ATOM 590 N GLY A 42 5.746 -3.473 -1.998 1.00 0.00 N ATOM 591 CA GLY A 42 5.937 -2.168 -1.394 1.00 0.00 C ATOM 592 C GLY A 42 6.974 -2.188 -0.289 1.00 0.00 C ATOM 593 O GLY A 42 6.712 -1.735 0.826 1.00 0.00 O ATOM 0 H GLY A 42 6.060 -3.547 -2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.242 -1.457 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.988 -1.815 -0.991 1.00 0.00 H new ATOM 597 N ASP A 43 8.153 -2.717 -0.597 1.00 0.00 N ATOM 598 CA ASP A 43 9.233 -2.798 0.379 1.00 0.00 C ATOM 599 C ASP A 43 10.065 -1.519 0.381 1.00 0.00 C ATOM 600 O ASP A 43 9.863 -0.633 -0.450 1.00 0.00 O ATOM 601 CB ASP A 43 10.128 -4.003 0.079 1.00 0.00 C ATOM 602 CG ASP A 43 10.807 -3.898 -1.272 1.00 0.00 C ATOM 603 OD1 ASP A 43 10.123 -4.098 -2.298 1.00 0.00 O ATOM 604 OD2 ASP A 43 12.024 -3.617 -1.305 1.00 0.00 O ATOM 0 H ASP A 43 8.385 -3.096 -1.515 1.00 0.00 H new ATOM 0 HA ASP A 43 8.788 -2.920 1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.886 -4.092 0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.530 -4.913 0.112 1.00 0.00 H new ATOM 609 N ARG A 44 11.002 -1.431 1.319 1.00 0.00 N ATOM 610 CA ARG A 44 11.865 -0.262 1.431 1.00 0.00 C ATOM 611 C ARG A 44 13.156 -0.465 0.644 1.00 0.00 C ATOM 612 O ARG A 44 14.100 -1.089 1.129 1.00 0.00 O ATOM 613 CB ARG A 44 12.190 0.023 2.899 1.00 0.00 C ATOM 614 CG ARG A 44 12.600 -1.212 3.684 1.00 0.00 C ATOM 615 CD ARG A 44 13.319 -0.843 4.972 1.00 0.00 C ATOM 616 NE ARG A 44 12.803 -1.587 6.119 1.00 0.00 N ATOM 617 CZ ARG A 44 11.678 -1.276 6.758 1.00 0.00 C ATOM 618 NH1 ARG A 44 10.950 -0.237 6.367 1.00 0.00 N ATOM 619 NH2 ARG A 44 11.279 -2.006 7.790 1.00 0.00 N ATOM 0 H ARG A 44 11.183 -2.156 2.013 1.00 0.00 H new ATOM 0 HA ARG A 44 11.333 0.592 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.994 0.758 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.318 0.472 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.716 -1.806 3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.250 -1.835 3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.385 -1.041 4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.210 0.226 5.155 1.00 0.00 H new ATOM 0 HE ARG A 44 13.336 -2.391 6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.252 0.328 5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.088 -0.003 6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.834 -2.806 8.094 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.417 -1.768 8.280 1.00 0.00 H new ATOM 633 N VAL A 45 13.189 0.065 -0.575 1.00 0.00 N ATOM 634 CA VAL A 45 14.363 -0.059 -1.429 1.00 0.00 C ATOM 635 C VAL A 45 15.122 1.262 -1.518 1.00 0.00 C ATOM 636 O VAL A 45 14.585 2.266 -1.985 1.00 0.00 O ATOM 637 CB VAL A 45 13.978 -0.520 -2.849 1.00 0.00 C ATOM 638 CG1 VAL A 45 13.071 0.501 -3.521 1.00 0.00 C ATOM 639 CG2 VAL A 45 15.224 -0.772 -3.686 1.00 0.00 C ATOM 0 H VAL A 45 12.416 0.584 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 45 15.008 -0.812 -0.975 1.00 0.00 H new ATOM 0 HB VAL A 45 13.427 -1.457 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.812 0.155 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.162 0.623 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 45 13.589 1.458 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 45 14.932 -1.097 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 45 15.806 0.147 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 45 15.828 -1.547 -3.215 1.00 0.00 H new ATOM 649 N ILE A 46 16.375 1.249 -1.065 1.00 0.00 N ATOM 650 CA ILE A 46 17.223 2.439 -1.088 1.00 0.00 C ATOM 651 C ILE A 46 16.462 3.685 -0.633 1.00 0.00 C ATOM 652 O ILE A 46 16.613 4.764 -1.207 1.00 0.00 O ATOM 653 CB ILE A 46 17.813 2.682 -2.495 1.00 0.00 C ATOM 654 CG1 ILE A 46 18.835 3.822 -2.458 1.00 0.00 C ATOM 655 CG2 ILE A 46 16.708 2.981 -3.499 1.00 0.00 C ATOM 656 CD1 ILE A 46 20.260 3.364 -2.681 1.00 0.00 C ATOM 0 H ILE A 46 16.827 0.422 -0.675 1.00 0.00 H new ATOM 0 HA ILE A 46 18.038 2.254 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 46 18.324 1.774 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 46 18.575 4.557 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 46 18.771 4.326 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.146 3.149 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.021 2.136 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 46 16.164 3.873 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 46 20.929 4.224 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.539 2.651 -1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 46 20.340 2.887 -3.658 1.00 0.00 H new ATOM 668 N ASP A 47 15.644 3.527 0.402 1.00 0.00 N ATOM 669 CA ASP A 47 14.861 4.636 0.934 1.00 0.00 C ATOM 670 C ASP A 47 14.355 4.322 2.340 1.00 0.00 C ATOM 671 O ASP A 47 13.166 4.461 2.630 1.00 0.00 O ATOM 672 CB ASP A 47 13.681 4.943 0.009 1.00 0.00 C ATOM 673 CG ASP A 47 13.235 6.390 0.103 1.00 0.00 C ATOM 674 OD1 ASP A 47 13.088 6.893 1.236 1.00 0.00 O ATOM 675 OD2 ASP A 47 13.034 7.018 -0.957 1.00 0.00 O ATOM 0 H ASP A 47 15.506 2.642 0.889 1.00 0.00 H new ATOM 0 HA ASP A 47 15.508 5.512 0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.961 4.718 -1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.845 4.291 0.262 1.00 0.00 H new ATOM 680 N VAL A 48 15.266 3.898 3.209 1.00 0.00 N ATOM 681 CA VAL A 48 14.918 3.564 4.581 1.00 0.00 C ATOM 682 C VAL A 48 14.443 4.795 5.346 1.00 0.00 C ATOM 683 O VAL A 48 13.622 4.693 6.257 1.00 0.00 O ATOM 684 CB VAL A 48 16.117 2.945 5.320 1.00 0.00 C ATOM 685 CG1 VAL A 48 16.332 1.505 4.881 1.00 0.00 C ATOM 686 CG2 VAL A 48 17.374 3.773 5.094 1.00 0.00 C ATOM 0 H VAL A 48 16.254 3.778 2.984 1.00 0.00 H new ATOM 0 HA VAL A 48 14.107 2.837 4.537 1.00 0.00 H new ATOM 0 HB VAL A 48 15.898 2.946 6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 48 17.184 1.085 5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.440 0.920 5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.526 1.477 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 48 18.210 3.318 5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.598 3.810 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 48 17.215 4.785 5.467 1.00 0.00 H new ATOM 696 N GLY A 49 14.963 5.958 4.967 1.00 0.00 N ATOM 697 CA GLY A 49 14.580 7.192 5.626 1.00 0.00 C ATOM 698 C GLY A 49 14.309 8.314 4.644 1.00 0.00 C ATOM 699 O GLY A 49 15.086 8.536 3.715 1.00 0.00 O ATOM 0 H GLY A 49 15.643 6.067 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.688 7.017 6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.372 7.496 6.310 1.00 0.00 H new ATOM 703 N SER A 50 13.202 9.022 4.847 1.00 0.00 N ATOM 704 CA SER A 50 12.830 10.126 3.969 1.00 0.00 C ATOM 705 C SER A 50 13.065 11.469 4.653 1.00 0.00 C ATOM 706 O SER A 50 12.358 12.442 4.392 1.00 0.00 O ATOM 707 CB SER A 50 11.363 10.002 3.554 1.00 0.00 C ATOM 708 OG SER A 50 10.576 9.478 4.610 1.00 0.00 O ATOM 0 H SER A 50 12.548 8.851 5.611 1.00 0.00 H new ATOM 0 HA SER A 50 13.458 10.077 3.079 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.981 10.980 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.282 9.355 2.681 1.00 0.00 H new ATOM 0 HG SER A 50 9.642 9.410 4.320 1.00 0.00 H new ATOM 714 N GLU A 51 14.061 11.514 5.532 1.00 0.00 N ATOM 715 CA GLU A 51 14.389 12.739 6.253 1.00 0.00 C ATOM 716 C GLU A 51 15.758 13.267 5.836 1.00 0.00 C ATOM 717 O GLU A 51 15.964 14.476 5.737 1.00 0.00 O ATOM 718 CB GLU A 51 14.363 12.489 7.763 1.00 0.00 C ATOM 719 CG GLU A 51 13.747 13.629 8.557 1.00 0.00 C ATOM 720 CD GLU A 51 14.774 14.656 8.994 1.00 0.00 C ATOM 721 OE1 GLU A 51 15.028 15.606 8.225 1.00 0.00 O ATOM 722 OE2 GLU A 51 15.323 14.509 10.106 1.00 0.00 O ATOM 0 H GLU A 51 14.655 10.717 5.762 1.00 0.00 H new ATOM 0 HA GLU A 51 13.640 13.490 6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.804 11.575 7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 51 15.382 12.322 8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.984 14.118 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.245 13.225 9.436 1.00 0.00 H new ATOM 729 N TRP A 52 16.688 12.351 5.591 1.00 0.00 N ATOM 730 CA TRP A 52 18.038 12.722 5.182 1.00 0.00 C ATOM 731 C TRP A 52 18.704 13.601 6.238 1.00 0.00 C ATOM 732 O TRP A 52 19.335 14.609 5.917 1.00 0.00 O ATOM 733 CB TRP A 52 17.999 13.447 3.833 1.00 0.00 C ATOM 734 CG TRP A 52 18.639 12.670 2.722 1.00 0.00 C ATOM 735 CD1 TRP A 52 18.105 12.406 1.494 1.00 0.00 C ATOM 736 CD2 TRP A 52 19.932 12.056 2.740 1.00 0.00 C ATOM 737 NE1 TRP A 52 18.988 11.666 0.745 1.00 0.00 N ATOM 738 CE2 TRP A 52 20.117 11.438 1.488 1.00 0.00 C ATOM 739 CE3 TRP A 52 20.953 11.968 3.691 1.00 0.00 C ATOM 740 CZ2 TRP A 52 21.279 10.742 1.165 1.00 0.00 C ATOM 741 CZ3 TRP A 52 22.106 11.277 3.369 1.00 0.00 C ATOM 742 CH2 TRP A 52 22.262 10.674 2.115 1.00 0.00 C ATOM 0 H TRP A 52 16.532 11.346 5.668 1.00 0.00 H new ATOM 0 HA TRP A 52 18.628 11.811 5.077 1.00 0.00 H new ATOM 0 HB2 TRP A 52 16.962 13.655 3.570 1.00 0.00 H new ATOM 0 HB3 TRP A 52 18.502 14.409 3.931 1.00 0.00 H new ATOM 0 HD1 TRP A 52 17.131 12.731 1.160 1.00 0.00 H new ATOM 0 HE1 TRP A 52 18.829 11.340 -0.208 1.00 0.00 H new ATOM 0 HE3 TRP A 52 20.843 12.432 4.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 21.400 10.273 0.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 22.900 11.201 4.097 1.00 0.00 H new ATOM 0 HH2 TRP A 52 23.177 10.144 1.893 1.00 0.00 H new ATOM 753 N ARG A 53 18.561 13.212 7.501 1.00 0.00 N ATOM 754 CA ARG A 53 19.149 13.965 8.603 1.00 0.00 C ATOM 755 C ARG A 53 19.439 13.054 9.793 1.00 0.00 C ATOM 756 O ARG A 53 18.747 12.058 10.007 1.00 0.00 O ATOM 757 CB ARG A 53 18.216 15.099 9.030 1.00 0.00 C ATOM 758 CG ARG A 53 18.943 16.303 9.606 1.00 0.00 C ATOM 759 CD ARG A 53 19.724 17.047 8.535 1.00 0.00 C ATOM 760 NE ARG A 53 18.845 17.640 7.530 1.00 0.00 N ATOM 761 CZ ARG A 53 18.153 18.761 7.720 1.00 0.00 C ATOM 762 NH1 ARG A 53 18.237 19.414 8.874 1.00 0.00 N ATOM 763 NH2 ARG A 53 17.376 19.231 6.756 1.00 0.00 N ATOM 0 H ARG A 53 18.044 12.381 7.786 1.00 0.00 H new ATOM 0 HA ARG A 53 20.091 14.390 8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 53 17.628 15.418 8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 53 17.514 14.720 9.773 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.222 16.978 10.067 1.00 0.00 H new ATOM 0 HG3 ARG A 53 19.623 15.977 10.393 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.322 17.830 9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 53 20.418 16.361 8.050 1.00 0.00 H new ATOM 0 HE ARG A 53 18.756 17.167 6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.834 19.057 9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.704 20.273 9.014 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.308 18.734 5.868 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.846 20.090 6.902 1.00 0.00 H new ATOM 777 N THR A 54 20.463 13.404 10.563 1.00 0.00 N ATOM 778 CA THR A 54 20.845 12.619 11.732 1.00 0.00 C ATOM 779 C THR A 54 21.199 13.527 12.906 1.00 0.00 C ATOM 780 O THR A 54 21.962 14.482 12.758 1.00 0.00 O ATOM 781 CB THR A 54 22.032 11.714 11.400 1.00 0.00 C ATOM 782 OG1 THR A 54 22.972 12.397 10.589 1.00 0.00 O ATOM 783 CG2 THR A 54 21.634 10.448 10.673 1.00 0.00 C ATOM 0 H THR A 54 21.044 14.226 10.399 1.00 0.00 H new ATOM 0 HA THR A 54 19.993 12.001 12.016 1.00 0.00 H new ATOM 0 HB THR A 54 22.465 11.441 12.362 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.725 11.802 10.389 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.523 9.852 10.468 1.00 0.00 H new ATOM 0 HG22 THR A 54 20.946 9.873 11.293 1.00 0.00 H new ATOM 0 HG23 THR A 54 21.145 10.706 9.733 1.00 0.00 H new ATOM 791 N PHE A 55 20.639 13.224 14.073 1.00 0.00 N ATOM 792 CA PHE A 55 20.897 14.012 15.273 1.00 0.00 C ATOM 793 C PHE A 55 21.809 13.254 16.233 1.00 0.00 C ATOM 794 O PHE A 55 22.788 13.803 16.737 1.00 0.00 O ATOM 795 CB PHE A 55 19.581 14.366 15.970 1.00 0.00 C ATOM 796 CG PHE A 55 19.060 15.728 15.611 1.00 0.00 C ATOM 797 CD1 PHE A 55 19.737 16.870 16.008 1.00 0.00 C ATOM 798 CD2 PHE A 55 17.893 15.866 14.878 1.00 0.00 C ATOM 799 CE1 PHE A 55 19.259 18.125 15.680 1.00 0.00 C ATOM 800 CE2 PHE A 55 17.409 17.118 14.547 1.00 0.00 C ATOM 801 CZ PHE A 55 18.093 18.249 14.949 1.00 0.00 C ATOM 0 H PHE A 55 20.004 12.438 14.213 1.00 0.00 H new ATOM 0 HA PHE A 55 21.398 14.932 14.974 1.00 0.00 H new ATOM 0 HB2 PHE A 55 18.830 13.619 15.712 1.00 0.00 H new ATOM 0 HB3 PHE A 55 19.725 14.314 17.049 1.00 0.00 H new ATOM 0 HD1 PHE A 55 20.648 16.779 16.580 1.00 0.00 H new ATOM 0 HD2 PHE A 55 17.355 14.985 14.561 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.796 19.007 15.995 1.00 0.00 H new ATOM 0 HE2 PHE A 55 16.498 17.212 13.975 1.00 0.00 H new ATOM 0 HZ PHE A 55 17.717 19.228 14.692 1.00 0.00 H new ATOM 811 N SER A 56 21.479 11.991 16.481 1.00 0.00 N ATOM 812 CA SER A 56 22.268 11.158 17.380 1.00 0.00 C ATOM 813 C SER A 56 22.564 9.802 16.744 1.00 0.00 C ATOM 814 O SER A 56 21.930 8.799 17.072 1.00 0.00 O ATOM 815 CB SER A 56 21.531 10.963 18.706 1.00 0.00 C ATOM 816 OG SER A 56 22.443 10.878 19.789 1.00 0.00 O ATOM 0 H SER A 56 20.671 11.522 16.072 1.00 0.00 H new ATOM 0 HA SER A 56 23.214 11.665 17.570 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.844 11.793 18.869 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.929 10.055 18.661 1.00 0.00 H new ATOM 0 HG SER A 56 21.947 10.755 20.625 1.00 0.00 H new ATOM 822 N ASN A 57 23.532 9.781 15.834 1.00 0.00 N ATOM 823 CA ASN A 57 23.912 8.551 15.151 1.00 0.00 C ATOM 824 C ASN A 57 25.422 8.485 14.947 1.00 0.00 C ATOM 825 O ASN A 57 26.062 7.490 15.288 1.00 0.00 O ATOM 826 CB ASN A 57 23.197 8.452 13.802 1.00 0.00 C ATOM 827 CG ASN A 57 22.622 7.072 13.551 1.00 0.00 C ATOM 828 OD1 ASN A 57 22.965 6.110 14.239 1.00 0.00 O ATOM 829 ND2 ASN A 57 21.742 6.967 12.563 1.00 0.00 N ATOM 0 H ASN A 57 24.067 10.602 15.553 1.00 0.00 H new ATOM 0 HA ASN A 57 23.613 7.710 15.776 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.395 9.189 13.764 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.897 8.701 13.004 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.321 6.063 12.349 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.486 7.790 12.018 1.00 0.00 H new ATOM 836 N ASP A 58 25.985 9.552 14.387 1.00 0.00 N ATOM 837 CA ASP A 58 27.420 9.616 14.136 1.00 0.00 C ATOM 838 C ASP A 58 28.103 10.564 15.117 1.00 0.00 C ATOM 839 O ASP A 58 27.774 11.749 15.181 1.00 0.00 O ATOM 840 CB ASP A 58 27.687 10.068 12.700 1.00 0.00 C ATOM 841 CG ASP A 58 28.888 9.373 12.088 1.00 0.00 C ATOM 842 OD1 ASP A 58 29.766 8.921 12.852 1.00 0.00 O ATOM 843 OD2 ASP A 58 28.950 9.281 10.844 1.00 0.00 O ATOM 0 H ASP A 58 25.469 10.383 14.099 1.00 0.00 H new ATOM 0 HA ASP A 58 27.834 8.618 14.278 1.00 0.00 H new ATOM 0 HB2 ASP A 58 26.806 9.869 12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.848 11.146 12.685 1.00 0.00 H new ATOM 848 N LYS A 59 29.055 10.036 15.878 1.00 0.00 N ATOM 849 CA LYS A 59 29.785 10.837 16.856 1.00 0.00 C ATOM 850 C LYS A 59 28.839 11.406 17.908 1.00 0.00 C ATOM 851 O LYS A 59 28.157 10.661 18.612 1.00 0.00 O ATOM 852 CB LYS A 59 30.534 11.973 16.157 1.00 0.00 C ATOM 853 CG LYS A 59 31.523 11.494 15.107 1.00 0.00 C ATOM 854 CD LYS A 59 32.902 11.269 15.705 1.00 0.00 C ATOM 855 CE LYS A 59 33.917 10.900 14.636 1.00 0.00 C ATOM 856 NZ LYS A 59 34.237 12.053 13.751 1.00 0.00 N ATOM 857 OXT LYS A 59 28.743 12.822 18.079 1.00 0.00 O ATOM 0 H LYS A 59 29.340 9.057 15.837 1.00 0.00 H new ATOM 0 HA LYS A 59 30.506 10.189 17.355 1.00 0.00 H new ATOM 0 HB2 LYS A 59 29.810 12.638 15.686 1.00 0.00 H new ATOM 0 HB3 LYS A 59 31.067 12.560 16.905 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.162 10.567 14.662 1.00 0.00 H new ATOM 0 HG3 LYS A 59 31.588 12.229 14.305 1.00 0.00 H new ATOM 0 HD2 LYS A 59 33.228 12.172 16.222 1.00 0.00 H new ATOM 0 HD3 LYS A 59 32.852 10.475 16.450 1.00 0.00 H new ATOM 0 HE2 LYS A 59 34.831 10.543 15.111 1.00 0.00 H new ATOM 0 HE3 LYS A 59 33.528 10.078 14.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 35.050 11.813 13.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 33.414 12.270 13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 34.471 12.883 14.333 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.688 -15.819 -3.742 1.00 0.00 ZN