USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 438 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 16 HIS HE2 : A 16 HIS NE2 : A 53 ZNZN :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 54 ZNZN :(H bumps) USER MOD Set 1.1: A 15 ASN : amide:sc= -7.61! C(o=-6.3!,f=-12!) USER MOD Set 1.2: A 42 THR OG1 : rot 71:sc= 1.32 USER MOD Single : A 1 SER N :NH3+ 179:sc= 0.062 (180deg=0.0604) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.054 USER MOD Single : A 9 ASN : amide:sc= -3.02! C(o=-3!,f=-3.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 107:sc= -0.682! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -138:sc= -0.243 (180deg=-1.39!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0984 X(o=-0.098,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.282 17.036 -18.212 1.00 0.00 N ATOM 2 CA SER A 1 -5.744 17.311 -18.116 1.00 0.00 C ATOM 3 C SER A 1 -6.499 16.533 -19.197 1.00 0.00 C ATOM 4 O SER A 1 -7.408 17.044 -19.823 1.00 0.00 O ATOM 5 CB SER A 1 -5.879 18.815 -18.345 1.00 0.00 C ATOM 6 OG SER A 1 -5.035 19.205 -19.420 1.00 0.00 O ATOM 0 H1 SER A 1 -3.778 17.582 -17.485 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.109 16.021 -18.065 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.938 17.313 -19.154 1.00 0.00 H new ATOM 0 HA SER A 1 -6.160 17.006 -17.156 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.915 19.068 -18.571 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.608 19.358 -17.440 1.00 0.00 H new ATOM 0 HG SER A 1 -5.121 20.170 -19.570 1.00 0.00 H new ATOM 14 N ILE A 2 -6.131 15.301 -19.423 1.00 0.00 N ATOM 15 CA ILE A 2 -6.829 14.493 -20.465 1.00 0.00 C ATOM 16 C ILE A 2 -7.319 13.171 -19.870 1.00 0.00 C ATOM 17 O ILE A 2 -8.436 12.751 -20.103 1.00 0.00 O ATOM 18 CB ILE A 2 -5.772 14.236 -21.538 1.00 0.00 C ATOM 19 CG1 ILE A 2 -5.197 15.569 -22.018 1.00 0.00 C ATOM 20 CG2 ILE A 2 -6.412 13.502 -22.720 1.00 0.00 C ATOM 21 CD1 ILE A 2 -6.286 16.361 -22.744 1.00 0.00 C ATOM 0 H ILE A 2 -5.378 14.819 -18.932 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.704 15.004 -20.866 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.972 13.625 -21.120 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.820 16.141 -21.170 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.353 15.394 -22.685 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.658 13.319 -23.486 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.822 12.551 -22.379 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.212 14.113 -23.138 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.877 17.312 -23.087 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.642 15.789 -23.601 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.116 16.548 -22.062 1.00 0.00 H new ATOM 33 N SER A 3 -6.493 12.509 -19.109 1.00 0.00 N ATOM 34 CA SER A 3 -6.913 11.212 -18.505 1.00 0.00 C ATOM 35 C SER A 3 -7.020 11.345 -16.984 1.00 0.00 C ATOM 36 O SER A 3 -6.200 10.822 -16.256 1.00 0.00 O ATOM 37 CB SER A 3 -5.808 10.226 -18.880 1.00 0.00 C ATOM 38 OG SER A 3 -5.901 9.921 -20.265 1.00 0.00 O ATOM 0 H SER A 3 -5.546 12.809 -18.879 1.00 0.00 H new ATOM 0 HA SER A 3 -7.890 10.887 -18.863 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.831 10.654 -18.655 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.901 9.315 -18.288 1.00 0.00 H new ATOM 0 HG SER A 3 -5.192 9.290 -20.509 1.00 0.00 H new ATOM 44 N PRO A 4 -8.037 12.042 -16.555 1.00 0.00 N ATOM 45 CA PRO A 4 -8.261 12.244 -15.104 1.00 0.00 C ATOM 46 C PRO A 4 -8.756 10.946 -14.459 1.00 0.00 C ATOM 47 O PRO A 4 -8.763 9.900 -15.077 1.00 0.00 O ATOM 48 CB PRO A 4 -9.339 13.323 -15.056 1.00 0.00 C ATOM 49 CG PRO A 4 -10.056 13.214 -16.364 1.00 0.00 C ATOM 50 CD PRO A 4 -9.062 12.700 -17.372 1.00 0.00 C ATOM 0 HA PRO A 4 -7.358 12.528 -14.563 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.019 13.164 -14.219 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.901 14.313 -14.928 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -10.906 12.537 -16.282 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.449 14.184 -16.670 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.525 12.002 -18.070 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.640 13.511 -17.966 1.00 0.00 H new ATOM 58 N ARG A 5 -9.169 11.004 -13.223 1.00 0.00 N ATOM 59 CA ARG A 5 -9.661 9.770 -12.546 1.00 0.00 C ATOM 60 C ARG A 5 -11.148 9.559 -12.844 1.00 0.00 C ATOM 61 O ARG A 5 -11.704 10.167 -13.736 1.00 0.00 O ATOM 62 CB ARG A 5 -9.444 10.021 -11.054 1.00 0.00 C ATOM 63 CG ARG A 5 -8.695 8.836 -10.441 1.00 0.00 C ATOM 64 CD ARG A 5 -7.278 9.268 -10.058 1.00 0.00 C ATOM 65 NE ARG A 5 -6.539 7.995 -9.828 1.00 0.00 N ATOM 66 CZ ARG A 5 -5.236 7.974 -9.897 1.00 0.00 C ATOM 67 NH1 ARG A 5 -4.536 8.898 -9.298 1.00 0.00 N ATOM 68 NH2 ARG A 5 -4.634 7.029 -10.565 1.00 0.00 N ATOM 0 H ARG A 5 -9.187 11.850 -12.653 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.139 8.877 -12.889 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.875 10.939 -10.908 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.403 10.157 -10.554 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.226 8.473 -9.561 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -8.655 8.011 -11.152 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.816 9.855 -10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.283 9.890 -9.163 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.052 7.139 -9.616 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.007 9.637 -8.776 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.518 8.882 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.182 6.307 -11.033 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.616 7.012 -10.619 1.00 0.00 H new ATOM 82 N THR A 6 -11.794 8.702 -12.104 1.00 0.00 N ATOM 83 CA THR A 6 -13.244 8.453 -12.346 1.00 0.00 C ATOM 84 C THR A 6 -14.081 9.050 -11.211 1.00 0.00 C ATOM 85 O THR A 6 -13.672 9.043 -10.067 1.00 0.00 O ATOM 86 CB THR A 6 -13.387 6.930 -12.371 1.00 0.00 C ATOM 87 OG1 THR A 6 -12.534 6.361 -11.388 1.00 0.00 O ATOM 88 CG2 THR A 6 -12.999 6.403 -13.753 1.00 0.00 C ATOM 0 H THR A 6 -11.382 8.163 -11.342 1.00 0.00 H new ATOM 0 HA THR A 6 -13.591 8.911 -13.272 1.00 0.00 H new ATOM 0 HB THR A 6 -14.421 6.657 -12.158 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.625 5.385 -11.401 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.101 5.318 -13.770 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.654 6.841 -14.506 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.965 6.674 -13.969 1.00 0.00 H new ATOM 96 N PRO A 7 -15.232 9.545 -11.573 1.00 0.00 N ATOM 97 CA PRO A 7 -16.148 10.154 -10.579 1.00 0.00 C ATOM 98 C PRO A 7 -16.851 9.062 -9.764 1.00 0.00 C ATOM 99 O PRO A 7 -16.883 7.915 -10.163 1.00 0.00 O ATOM 100 CB PRO A 7 -17.150 10.918 -11.437 1.00 0.00 C ATOM 101 CG PRO A 7 -17.138 10.228 -12.765 1.00 0.00 C ATOM 102 CD PRO A 7 -15.783 9.587 -12.931 1.00 0.00 C ATOM 0 HA PRO A 7 -15.637 10.792 -9.858 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -18.145 10.898 -10.992 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -16.866 11.966 -11.535 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.926 9.477 -12.814 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -17.326 10.940 -13.569 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -15.866 8.587 -13.358 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -15.148 10.168 -13.600 1.00 0.00 H new ATOM 110 N PRO A 8 -17.392 9.463 -8.646 1.00 0.00 N ATOM 111 CA PRO A 8 -18.106 8.511 -7.759 1.00 0.00 C ATOM 112 C PRO A 8 -19.453 8.108 -8.369 1.00 0.00 C ATOM 113 O PRO A 8 -20.503 8.447 -7.860 1.00 0.00 O ATOM 114 CB PRO A 8 -18.308 9.305 -6.472 1.00 0.00 C ATOM 115 CG PRO A 8 -18.281 10.739 -6.894 1.00 0.00 C ATOM 116 CD PRO A 8 -17.389 10.827 -8.106 1.00 0.00 C ATOM 0 HA PRO A 8 -17.558 7.582 -7.602 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.255 9.051 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.521 9.091 -5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -19.286 11.091 -7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.902 11.370 -6.090 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.771 11.545 -8.832 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.382 11.149 -7.839 1.00 0.00 H new ATOM 124 N ASN A 9 -19.428 7.384 -9.454 1.00 0.00 N ATOM 125 CA ASN A 9 -20.703 6.952 -10.099 1.00 0.00 C ATOM 126 C ASN A 9 -21.408 5.905 -9.238 1.00 0.00 C ATOM 127 O ASN A 9 -20.881 5.434 -8.251 1.00 0.00 O ATOM 128 CB ASN A 9 -20.279 6.349 -11.438 1.00 0.00 C ATOM 129 CG ASN A 9 -19.678 4.959 -11.210 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.395 3.983 -11.110 1.00 0.00 O ATOM 131 ND2 ASN A 9 -18.383 4.828 -11.123 1.00 0.00 N ATOM 0 H ASN A 9 -18.578 7.072 -9.924 1.00 0.00 H new ATOM 0 HA ASN A 9 -21.403 7.778 -10.224 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -21.138 6.279 -12.105 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.549 6.996 -11.925 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.973 3.907 -10.971 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.781 5.647 -11.207 1.00 0.00 H new ATOM 138 N CYS A 10 -22.596 5.537 -9.617 1.00 0.00 N ATOM 139 CA CYS A 10 -23.346 4.517 -8.838 1.00 0.00 C ATOM 140 C CYS A 10 -22.855 3.123 -9.231 1.00 0.00 C ATOM 141 O CYS A 10 -22.627 2.845 -10.395 1.00 0.00 O ATOM 142 CB CYS A 10 -24.799 4.703 -9.258 1.00 0.00 C ATOM 143 SG CYS A 10 -25.798 3.380 -8.556 1.00 0.00 S ATOM 0 H CYS A 10 -23.083 5.900 -10.437 1.00 0.00 H new ATOM 0 HA CYS A 10 -23.216 4.622 -7.761 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -25.166 5.671 -8.917 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -24.879 4.696 -10.345 1.00 0.00 H new ATOM 148 N ALA A 11 -22.673 2.241 -8.288 1.00 0.00 N ATOM 149 CA ALA A 11 -22.178 0.890 -8.662 1.00 0.00 C ATOM 150 C ALA A 11 -23.336 -0.035 -9.042 1.00 0.00 C ATOM 151 O ALA A 11 -23.186 -0.953 -9.820 1.00 0.00 O ATOM 152 CB ALA A 11 -21.440 0.355 -7.438 1.00 0.00 C ATOM 0 H ALA A 11 -22.842 2.393 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 11 -21.523 0.940 -9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -21.052 -0.640 -7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.613 1.021 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.127 0.301 -6.594 1.00 0.00 H new ATOM 158 N ARG A 12 -24.487 0.204 -8.518 1.00 0.00 N ATOM 159 CA ARG A 12 -25.650 -0.647 -8.869 1.00 0.00 C ATOM 160 C ARG A 12 -25.839 -0.654 -10.370 1.00 0.00 C ATOM 161 O ARG A 12 -26.070 -1.679 -10.982 1.00 0.00 O ATOM 162 CB ARG A 12 -26.814 0.060 -8.195 1.00 0.00 C ATOM 163 CG ARG A 12 -28.090 -0.745 -8.381 1.00 0.00 C ATOM 164 CD ARG A 12 -28.522 -1.344 -7.040 1.00 0.00 C ATOM 165 NE ARG A 12 -28.075 -2.763 -7.087 1.00 0.00 N ATOM 166 CZ ARG A 12 -28.062 -3.477 -5.994 1.00 0.00 C ATOM 167 NH1 ARG A 12 -27.120 -3.297 -5.109 1.00 0.00 N ATOM 168 NH2 ARG A 12 -28.993 -4.368 -5.786 1.00 0.00 N ATOM 0 H ARG A 12 -24.682 0.955 -7.856 1.00 0.00 H new ATOM 0 HA ARG A 12 -25.543 -1.686 -8.556 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -26.607 0.188 -7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -26.938 1.057 -8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -28.880 -0.106 -8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -27.927 -1.539 -9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -28.063 -0.814 -6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -29.602 -1.275 -6.907 1.00 0.00 H new ATOM 0 HE ARG A 12 -27.779 -3.177 -7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -26.394 -2.599 -5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -27.109 -3.855 -4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -29.730 -4.506 -6.477 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -28.983 -4.926 -4.932 1.00 0.00 H new ATOM 182 N CYS A 13 -25.772 0.490 -10.961 1.00 0.00 N ATOM 183 CA CYS A 13 -25.981 0.562 -12.430 1.00 0.00 C ATOM 184 C CYS A 13 -24.681 0.309 -13.235 1.00 0.00 C ATOM 185 O CYS A 13 -24.743 -0.127 -14.372 1.00 0.00 O ATOM 186 CB CYS A 13 -26.565 1.960 -12.668 1.00 0.00 C ATOM 187 SG CYS A 13 -25.446 3.199 -12.071 1.00 0.00 S ATOM 0 H CYS A 13 -25.583 1.380 -10.499 1.00 0.00 H new ATOM 0 HA CYS A 13 -26.652 -0.222 -12.782 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -26.750 2.109 -13.732 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -27.526 2.052 -12.161 1.00 0.00 H new ATOM 192 N ARG A 14 -23.499 0.530 -12.698 1.00 0.00 N ATOM 193 CA ARG A 14 -22.291 0.236 -13.549 1.00 0.00 C ATOM 194 C ARG A 14 -22.227 -1.254 -13.858 1.00 0.00 C ATOM 195 O ARG A 14 -21.646 -1.680 -14.837 1.00 0.00 O ATOM 196 CB ARG A 14 -21.048 0.637 -12.746 1.00 0.00 C ATOM 197 CG ARG A 14 -21.079 -0.012 -11.361 1.00 0.00 C ATOM 198 CD ARG A 14 -20.851 -1.525 -11.430 1.00 0.00 C ATOM 199 NE ARG A 14 -19.711 -1.784 -10.509 1.00 0.00 N ATOM 200 CZ ARG A 14 -19.031 -2.892 -10.612 1.00 0.00 C ATOM 201 NH1 ARG A 14 -19.624 -4.041 -10.434 1.00 0.00 N ATOM 202 NH2 ARG A 14 -17.758 -2.852 -10.893 1.00 0.00 N ATOM 0 H ARG A 14 -23.320 0.882 -11.758 1.00 0.00 H new ATOM 0 HA ARG A 14 -22.345 0.788 -14.487 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -20.148 0.330 -13.279 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -21.005 1.722 -12.646 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -20.314 0.441 -10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -22.041 0.188 -10.888 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -21.741 -2.073 -11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -20.618 -1.843 -12.446 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.462 -1.096 -9.798 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.620 -4.072 -10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -19.092 -4.907 -10.515 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.294 -1.954 -11.032 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.226 -3.719 -10.974 1.00 0.00 H new ATOM 216 N ASN A 15 -22.794 -2.044 -13.000 1.00 0.00 N ATOM 217 CA ASN A 15 -22.757 -3.515 -13.182 1.00 0.00 C ATOM 218 C ASN A 15 -23.106 -3.867 -14.611 1.00 0.00 C ATOM 219 O ASN A 15 -22.599 -4.807 -15.191 1.00 0.00 O ATOM 220 CB ASN A 15 -23.834 -4.011 -12.232 1.00 0.00 C ATOM 221 CG ASN A 15 -23.335 -3.851 -10.807 1.00 0.00 C ATOM 222 OD1 ASN A 15 -22.277 -4.333 -10.456 1.00 0.00 O ATOM 223 ND2 ASN A 15 -24.063 -3.184 -9.966 1.00 0.00 N ATOM 0 H ASN A 15 -23.290 -1.728 -12.166 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.779 -3.954 -12.983 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -24.755 -3.446 -12.376 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -24.066 -5.056 -12.436 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -23.748 -3.062 -9.004 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -24.951 -2.782 -10.267 1.00 0.00 H new ATOM 230 N HIS A 16 -23.999 -3.121 -15.161 1.00 0.00 N ATOM 231 CA HIS A 16 -24.453 -3.378 -16.544 1.00 0.00 C ATOM 232 C HIS A 16 -23.792 -2.416 -17.532 1.00 0.00 C ATOM 233 O HIS A 16 -23.878 -2.591 -18.731 1.00 0.00 O ATOM 234 CB HIS A 16 -25.951 -3.170 -16.437 1.00 0.00 C ATOM 235 CG HIS A 16 -26.461 -4.171 -15.463 1.00 0.00 C ATOM 236 ND1 HIS A 16 -26.993 -5.393 -15.857 1.00 0.00 N ATOM 237 CD2 HIS A 16 -26.480 -4.168 -14.103 1.00 0.00 C ATOM 238 CE1 HIS A 16 -27.304 -6.069 -14.739 1.00 0.00 C ATOM 239 NE2 HIS A 16 -27.013 -5.361 -13.653 1.00 0.00 N ATOM 0 H HIS A 16 -24.446 -2.326 -14.705 1.00 0.00 H new ATOM 0 HA HIS A 16 -24.192 -4.366 -16.923 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -26.177 -2.157 -16.103 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -26.429 -3.299 -17.408 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -27.123 -5.716 -16.816 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -26.133 -3.361 -13.474 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -27.735 -7.059 -14.725 1.00 0.00 H new ATOM 247 N GLY A 17 -23.122 -1.410 -17.044 1.00 0.00 N ATOM 248 CA GLY A 17 -22.448 -0.457 -17.974 1.00 0.00 C ATOM 249 C GLY A 17 -23.092 0.916 -17.840 1.00 0.00 C ATOM 250 O GLY A 17 -23.181 1.672 -18.787 1.00 0.00 O ATOM 0 H GLY A 17 -23.011 -1.206 -16.051 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.384 -0.397 -17.743 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.532 -0.812 -19.001 1.00 0.00 H new ATOM 254 N LEU A 18 -23.544 1.240 -16.667 1.00 0.00 N ATOM 255 CA LEU A 18 -24.191 2.557 -16.453 1.00 0.00 C ATOM 256 C LEU A 18 -23.222 3.497 -15.721 1.00 0.00 C ATOM 257 O LEU A 18 -22.295 3.059 -15.068 1.00 0.00 O ATOM 258 CB LEU A 18 -25.407 2.233 -15.586 1.00 0.00 C ATOM 259 CG LEU A 18 -26.616 3.041 -16.050 1.00 0.00 C ATOM 260 CD1 LEU A 18 -26.366 4.519 -15.788 1.00 0.00 C ATOM 261 CD2 LEU A 18 -26.840 2.818 -17.546 1.00 0.00 C ATOM 0 H LEU A 18 -23.493 0.644 -15.841 1.00 0.00 H new ATOM 0 HA LEU A 18 -24.471 3.059 -17.379 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -25.629 1.167 -15.642 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -25.189 2.458 -14.542 1.00 0.00 H new ATOM 0 HG LEU A 18 -27.501 2.718 -15.501 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -27.228 5.098 -16.119 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -26.210 4.678 -14.721 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -25.481 4.841 -16.336 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -27.704 3.396 -17.875 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -25.957 3.140 -18.098 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -27.019 1.759 -17.733 1.00 0.00 H new ATOM 273 N LYS A 19 -23.429 4.779 -15.825 1.00 0.00 N ATOM 274 CA LYS A 19 -22.530 5.752 -15.141 1.00 0.00 C ATOM 275 C LYS A 19 -23.288 7.063 -14.948 1.00 0.00 C ATOM 276 O LYS A 19 -23.361 7.894 -15.830 1.00 0.00 O ATOM 277 CB LYS A 19 -21.342 5.941 -16.082 1.00 0.00 C ATOM 278 CG LYS A 19 -20.098 6.283 -15.260 1.00 0.00 C ATOM 279 CD LYS A 19 -19.700 5.076 -14.404 1.00 0.00 C ATOM 280 CE LYS A 19 -18.622 4.270 -15.132 1.00 0.00 C ATOM 281 NZ LYS A 19 -18.523 2.993 -14.374 1.00 0.00 N ATOM 0 H LYS A 19 -24.189 5.199 -16.359 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.198 5.411 -14.161 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.172 5.032 -16.660 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.551 6.738 -16.796 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.277 6.559 -15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.297 7.144 -14.622 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.328 5.410 -13.435 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.571 4.449 -14.212 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.896 4.092 -16.172 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.670 4.800 -15.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.803 2.384 -14.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.254 3.194 -13.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.443 2.508 -14.390 1.00 0.00 H new ATOM 295 N ILE A 20 -23.887 7.222 -13.809 1.00 0.00 N ATOM 296 CA ILE A 20 -24.697 8.448 -13.543 1.00 0.00 C ATOM 297 C ILE A 20 -23.976 9.382 -12.552 1.00 0.00 C ATOM 298 O ILE A 20 -24.463 10.452 -12.246 1.00 0.00 O ATOM 299 CB ILE A 20 -26.039 7.915 -12.968 1.00 0.00 C ATOM 300 CG1 ILE A 20 -26.107 8.093 -11.457 1.00 0.00 C ATOM 301 CG2 ILE A 20 -26.243 6.441 -13.343 1.00 0.00 C ATOM 302 CD1 ILE A 20 -25.529 6.876 -10.787 1.00 0.00 C ATOM 0 H ILE A 20 -23.854 6.553 -13.040 1.00 0.00 H new ATOM 0 HA ILE A 20 -24.855 9.047 -14.440 1.00 0.00 H new ATOM 0 HB ILE A 20 -26.843 8.502 -13.411 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -25.554 8.984 -11.159 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -27.140 8.239 -11.143 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -27.188 6.088 -12.931 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -26.261 6.341 -14.428 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.425 5.846 -12.937 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -25.576 7.000 -9.705 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.101 5.995 -11.077 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.490 6.751 -11.093 1.00 0.00 H new ATOM 314 N THR A 21 -22.846 8.968 -12.028 1.00 0.00 N ATOM 315 CA THR A 21 -22.094 9.811 -11.023 1.00 0.00 C ATOM 316 C THR A 21 -22.719 9.652 -9.623 1.00 0.00 C ATOM 317 O THR A 21 -22.280 10.243 -8.656 1.00 0.00 O ATOM 318 CB THR A 21 -22.216 11.258 -11.501 1.00 0.00 C ATOM 319 OG1 THR A 21 -22.231 11.285 -12.922 1.00 0.00 O ATOM 320 CG2 THR A 21 -21.032 12.074 -10.982 1.00 0.00 C ATOM 0 H THR A 21 -22.404 8.076 -12.251 1.00 0.00 H new ATOM 0 HA THR A 21 -21.050 9.507 -10.950 1.00 0.00 H new ATOM 0 HB THR A 21 -23.141 11.690 -11.120 1.00 0.00 H new ATOM 0 HG1 THR A 21 -23.139 11.480 -13.236 1.00 0.00 H new ATOM 0 HG21 THR A 21 -21.122 13.105 -11.325 1.00 0.00 H new ATOM 0 HG22 THR A 21 -21.026 12.053 -9.892 1.00 0.00 H new ATOM 0 HG23 THR A 21 -20.103 11.647 -11.359 1.00 0.00 H new ATOM 328 N LEU A 22 -23.738 8.847 -9.530 1.00 0.00 N ATOM 329 CA LEU A 22 -24.438 8.591 -8.223 1.00 0.00 C ATOM 330 C LEU A 22 -24.776 9.899 -7.500 1.00 0.00 C ATOM 331 O LEU A 22 -25.064 9.908 -6.321 1.00 0.00 O ATOM 332 CB LEU A 22 -23.464 7.727 -7.411 1.00 0.00 C ATOM 333 CG LEU A 22 -24.111 7.220 -6.108 1.00 0.00 C ATOM 334 CD1 LEU A 22 -23.796 8.184 -4.964 1.00 0.00 C ATOM 335 CD2 LEU A 22 -25.631 7.096 -6.266 1.00 0.00 C ATOM 0 H LEU A 22 -24.132 8.338 -10.322 1.00 0.00 H new ATOM 0 HA LEU A 22 -25.395 8.090 -8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -23.141 6.877 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.572 8.307 -7.174 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.702 6.235 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -24.256 7.821 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -22.716 8.248 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -24.191 9.172 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -26.066 6.736 -5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -26.052 8.071 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -25.857 6.392 -7.067 1.00 0.00 H new ATOM 347 N LYS A 23 -24.786 11.000 -8.195 1.00 0.00 N ATOM 348 CA LYS A 23 -25.153 12.279 -7.525 1.00 0.00 C ATOM 349 C LYS A 23 -26.678 12.342 -7.407 1.00 0.00 C ATOM 350 O LYS A 23 -27.376 12.419 -8.399 1.00 0.00 O ATOM 351 CB LYS A 23 -24.631 13.383 -8.446 1.00 0.00 C ATOM 352 CG LYS A 23 -24.731 14.734 -7.733 1.00 0.00 C ATOM 353 CD LYS A 23 -26.010 15.451 -8.171 1.00 0.00 C ATOM 354 CE LYS A 23 -26.225 16.691 -7.300 1.00 0.00 C ATOM 355 NZ LYS A 23 -27.687 16.711 -7.016 1.00 0.00 N ATOM 0 H LYS A 23 -24.559 11.072 -9.187 1.00 0.00 H new ATOM 0 HA LYS A 23 -24.733 12.377 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -23.596 13.181 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -25.209 13.404 -9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.736 14.587 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -23.860 15.346 -7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -25.937 15.739 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -26.864 14.780 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -25.644 16.633 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -25.911 17.597 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -27.914 17.534 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -28.214 16.774 -7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -27.956 15.839 -6.517 1.00 0.00 H new ATOM 369 N GLY A 24 -27.214 12.269 -6.215 1.00 0.00 N ATOM 370 CA GLY A 24 -28.700 12.283 -6.089 1.00 0.00 C ATOM 371 C GLY A 24 -29.240 11.245 -7.071 1.00 0.00 C ATOM 372 O GLY A 24 -29.913 11.564 -8.030 1.00 0.00 O ATOM 0 H GLY A 24 -26.697 12.201 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -29.003 12.044 -5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -29.097 13.272 -6.316 1.00 0.00 H new ATOM 376 N HIS A 25 -28.892 10.005 -6.864 1.00 0.00 N ATOM 377 CA HIS A 25 -29.317 8.935 -7.808 1.00 0.00 C ATOM 378 C HIS A 25 -30.002 7.774 -7.075 1.00 0.00 C ATOM 379 O HIS A 25 -31.166 7.848 -6.741 1.00 0.00 O ATOM 380 CB HIS A 25 -27.989 8.501 -8.423 1.00 0.00 C ATOM 381 CG HIS A 25 -28.157 7.309 -9.320 1.00 0.00 C ATOM 382 ND1 HIS A 25 -28.844 7.374 -10.523 1.00 0.00 N ATOM 383 CD2 HIS A 25 -27.612 6.052 -9.270 1.00 0.00 C ATOM 384 CE1 HIS A 25 -28.669 6.193 -11.143 1.00 0.00 C ATOM 385 NE2 HIS A 25 -27.937 5.359 -10.414 1.00 0.00 N ATOM 0 H HIS A 25 -28.328 9.686 -6.076 1.00 0.00 H new ATOM 0 HA HIS A 25 -30.051 9.269 -8.542 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -27.564 9.328 -8.992 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -27.281 8.263 -7.629 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -29.381 8.168 -10.872 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -27.018 5.664 -8.456 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -29.074 5.953 -12.115 1.00 0.00 H new ATOM 393 N LYS A 26 -29.296 6.699 -6.834 1.00 0.00 N ATOM 394 CA LYS A 26 -29.919 5.539 -6.140 1.00 0.00 C ATOM 395 C LYS A 26 -31.312 5.270 -6.718 1.00 0.00 C ATOM 396 O LYS A 26 -31.460 4.567 -7.698 1.00 0.00 O ATOM 397 CB LYS A 26 -30.004 5.954 -4.671 1.00 0.00 C ATOM 398 CG LYS A 26 -28.608 5.894 -4.048 1.00 0.00 C ATOM 399 CD LYS A 26 -28.326 4.470 -3.571 1.00 0.00 C ATOM 400 CE LYS A 26 -28.414 4.416 -2.045 1.00 0.00 C ATOM 401 NZ LYS A 26 -27.309 5.293 -1.557 1.00 0.00 N ATOM 0 H LYS A 26 -28.316 6.577 -7.089 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.346 4.620 -6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.409 6.963 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.684 5.293 -4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -27.859 6.200 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -28.541 6.590 -3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -29.044 3.779 -4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -27.336 4.154 -3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -29.383 4.771 -1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -28.297 3.396 -1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -26.836 4.839 -0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -26.621 5.443 -2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -27.699 6.210 -1.258 1.00 0.00 H new ATOM 415 N ARG A 27 -32.335 5.826 -6.130 1.00 0.00 N ATOM 416 CA ARG A 27 -33.708 5.600 -6.664 1.00 0.00 C ATOM 417 C ARG A 27 -33.723 5.835 -8.177 1.00 0.00 C ATOM 418 O ARG A 27 -34.515 5.262 -8.899 1.00 0.00 O ATOM 419 CB ARG A 27 -34.583 6.630 -5.951 1.00 0.00 C ATOM 420 CG ARG A 27 -36.007 6.089 -5.823 1.00 0.00 C ATOM 421 CD ARG A 27 -36.431 6.112 -4.353 1.00 0.00 C ATOM 422 NE ARG A 27 -37.380 7.253 -4.243 1.00 0.00 N ATOM 423 CZ ARG A 27 -36.942 8.434 -3.903 1.00 0.00 C ATOM 424 NH1 ARG A 27 -36.277 9.156 -4.763 1.00 0.00 N ATOM 425 NH2 ARG A 27 -37.168 8.892 -2.703 1.00 0.00 N ATOM 0 H ARG A 27 -32.281 6.425 -5.306 1.00 0.00 H new ATOM 0 HA ARG A 27 -34.060 4.582 -6.494 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -34.175 6.848 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -34.587 7.567 -6.508 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -36.692 6.692 -6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -36.057 5.072 -6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -36.906 5.174 -4.065 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -35.572 6.249 -3.697 1.00 0.00 H new ATOM 0 HE ARG A 27 -38.372 7.112 -4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -36.100 8.797 -5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -35.935 10.079 -4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -37.687 8.327 -2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -36.826 9.815 -2.437 1.00 0.00 H new ATOM 439 N TYR A 28 -32.847 6.673 -8.660 1.00 0.00 N ATOM 440 CA TYR A 28 -32.795 6.952 -10.125 1.00 0.00 C ATOM 441 C TYR A 28 -31.996 5.865 -10.839 1.00 0.00 C ATOM 442 O TYR A 28 -31.834 5.887 -12.044 1.00 0.00 O ATOM 443 CB TYR A 28 -32.068 8.290 -10.241 1.00 0.00 C ATOM 444 CG TYR A 28 -33.002 9.408 -9.847 1.00 0.00 C ATOM 445 CD1 TYR A 28 -33.225 9.691 -8.494 1.00 0.00 C ATOM 446 CD2 TYR A 28 -33.647 10.159 -10.836 1.00 0.00 C ATOM 447 CE1 TYR A 28 -34.094 10.727 -8.130 1.00 0.00 C ATOM 448 CE2 TYR A 28 -34.516 11.195 -10.472 1.00 0.00 C ATOM 449 CZ TYR A 28 -34.739 11.478 -9.119 1.00 0.00 C ATOM 450 OH TYR A 28 -35.597 12.499 -8.760 1.00 0.00 O ATOM 0 H TYR A 28 -32.161 7.180 -8.100 1.00 0.00 H new ATOM 0 HA TYR A 28 -33.787 6.976 -10.576 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -31.188 8.294 -9.598 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -31.718 8.438 -11.262 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -32.727 9.111 -7.731 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -33.475 9.940 -11.879 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -34.266 10.946 -7.087 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -35.014 11.775 -11.235 1.00 0.00 H new ATOM 0 HH TYR A 28 -35.960 12.920 -9.567 1.00 0.00 H new ATOM 460 N CYS A 29 -31.477 4.924 -10.105 1.00 0.00 N ATOM 461 CA CYS A 29 -30.668 3.847 -10.736 1.00 0.00 C ATOM 462 C CYS A 29 -31.504 2.998 -11.685 1.00 0.00 C ATOM 463 O CYS A 29 -32.684 2.790 -11.494 1.00 0.00 O ATOM 464 CB CYS A 29 -30.181 2.972 -9.571 1.00 0.00 C ATOM 465 SG CYS A 29 -28.736 2.017 -10.094 1.00 0.00 S ATOM 0 H CYS A 29 -31.578 4.854 -9.092 1.00 0.00 H new ATOM 0 HA CYS A 29 -29.853 4.270 -11.324 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -29.926 3.597 -8.715 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -30.977 2.300 -9.250 1.00 0.00 H new ATOM 470 N LYS A 30 -30.877 2.460 -12.682 1.00 0.00 N ATOM 471 CA LYS A 30 -31.599 1.547 -13.605 1.00 0.00 C ATOM 472 C LYS A 30 -31.332 0.118 -13.109 1.00 0.00 C ATOM 473 O LYS A 30 -31.677 -0.861 -13.743 1.00 0.00 O ATOM 474 CB LYS A 30 -30.981 1.780 -14.985 1.00 0.00 C ATOM 475 CG LYS A 30 -31.994 2.491 -15.885 1.00 0.00 C ATOM 476 CD LYS A 30 -32.131 1.724 -17.201 1.00 0.00 C ATOM 477 CE LYS A 30 -32.293 2.714 -18.358 1.00 0.00 C ATOM 478 NZ LYS A 30 -32.767 1.889 -19.504 1.00 0.00 N ATOM 0 H LYS A 30 -29.892 2.611 -12.902 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.676 1.712 -13.648 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -30.076 2.380 -14.893 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.689 0.829 -15.429 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -32.961 2.553 -15.385 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -31.670 3.513 -16.079 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -31.252 1.100 -17.363 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -32.992 1.057 -17.157 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -33.010 3.497 -18.111 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -31.350 3.208 -18.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -32.902 2.497 -20.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -32.061 1.157 -19.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -33.670 1.436 -19.256 1.00 0.00 H new ATOM 492 N PHE A 31 -30.691 0.022 -11.965 1.00 0.00 N ATOM 493 CA PHE A 31 -30.336 -1.290 -11.356 1.00 0.00 C ATOM 494 C PHE A 31 -30.543 -1.205 -9.836 1.00 0.00 C ATOM 495 O PHE A 31 -30.155 -2.082 -9.091 1.00 0.00 O ATOM 496 CB PHE A 31 -28.852 -1.439 -11.716 1.00 0.00 C ATOM 497 CG PHE A 31 -28.745 -1.372 -13.214 1.00 0.00 C ATOM 498 CD1 PHE A 31 -28.651 -0.130 -13.849 1.00 0.00 C ATOM 499 CD2 PHE A 31 -28.766 -2.546 -13.968 1.00 0.00 C ATOM 500 CE1 PHE A 31 -28.574 -0.062 -15.238 1.00 0.00 C ATOM 501 CE2 PHE A 31 -28.688 -2.479 -15.359 1.00 0.00 C ATOM 502 CZ PHE A 31 -28.592 -1.237 -15.999 1.00 0.00 C ATOM 0 H PHE A 31 -30.393 0.829 -11.417 1.00 0.00 H new ATOM 0 HA PHE A 31 -30.933 -2.133 -11.703 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -28.263 -0.647 -11.253 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -28.460 -2.386 -11.345 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -28.638 0.777 -13.262 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -28.842 -3.504 -13.476 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -28.500 0.898 -15.728 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -28.702 -3.387 -15.944 1.00 0.00 H new ATOM 0 HZ PHE A 31 -28.532 -1.186 -17.076 1.00 0.00 H new ATOM 512 N ARG A 32 -31.151 -0.133 -9.381 1.00 0.00 N ATOM 513 CA ARG A 32 -31.389 0.058 -7.915 1.00 0.00 C ATOM 514 C ARG A 32 -31.989 -1.199 -7.292 1.00 0.00 C ATOM 515 O ARG A 32 -31.934 -1.399 -6.094 1.00 0.00 O ATOM 516 CB ARG A 32 -32.384 1.228 -7.753 1.00 0.00 C ATOM 517 CG ARG A 32 -33.255 1.431 -9.003 1.00 0.00 C ATOM 518 CD ARG A 32 -33.805 0.099 -9.519 1.00 0.00 C ATOM 519 NE ARG A 32 -35.061 0.460 -10.233 1.00 0.00 N ATOM 520 CZ ARG A 32 -35.079 0.504 -11.537 1.00 0.00 C ATOM 521 NH1 ARG A 32 -35.085 -0.603 -12.226 1.00 0.00 N ATOM 522 NH2 ARG A 32 -35.090 1.655 -12.151 1.00 0.00 N ATOM 0 H ARG A 32 -31.496 0.625 -9.970 1.00 0.00 H new ATOM 0 HA ARG A 32 -30.444 0.266 -7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -33.026 1.039 -6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -31.832 2.145 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -34.081 2.102 -8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -32.667 1.912 -9.785 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -33.096 -0.390 -10.187 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -34.000 -0.593 -8.700 1.00 0.00 H new ATOM 0 HE ARG A 32 -35.906 0.673 -9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -35.076 -1.503 -11.746 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -35.099 -0.569 -13.245 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -35.085 2.521 -11.612 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -35.104 1.689 -13.170 1.00 0.00 H new ATOM 536 N TYR A 33 -32.584 -2.033 -8.089 1.00 0.00 N ATOM 537 CA TYR A 33 -33.213 -3.264 -7.531 1.00 0.00 C ATOM 538 C TYR A 33 -32.753 -4.501 -8.294 1.00 0.00 C ATOM 539 O TYR A 33 -33.112 -5.612 -7.961 1.00 0.00 O ATOM 540 CB TYR A 33 -34.717 -3.048 -7.697 1.00 0.00 C ATOM 541 CG TYR A 33 -35.168 -1.959 -6.753 1.00 0.00 C ATOM 542 CD1 TYR A 33 -34.709 -1.949 -5.430 1.00 0.00 C ATOM 543 CD2 TYR A 33 -36.042 -0.959 -7.198 1.00 0.00 C ATOM 544 CE1 TYR A 33 -35.124 -0.940 -4.552 1.00 0.00 C ATOM 545 CE2 TYR A 33 -36.457 0.050 -6.320 1.00 0.00 C ATOM 546 CZ TYR A 33 -35.998 0.060 -4.998 1.00 0.00 C ATOM 547 OH TYR A 33 -36.405 1.055 -4.132 1.00 0.00 O ATOM 0 H TYR A 33 -32.664 -1.920 -9.100 1.00 0.00 H new ATOM 0 HA TYR A 33 -32.937 -3.429 -6.489 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -34.946 -2.772 -8.726 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -35.255 -3.973 -7.488 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -34.035 -2.720 -5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -36.396 -0.966 -8.218 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -34.770 -0.933 -3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -37.131 0.821 -6.663 1.00 0.00 H new ATOM 0 HH TYR A 33 -37.009 1.669 -4.600 1.00 0.00 H new ATOM 557 N CYS A 34 -31.949 -4.326 -9.305 1.00 0.00 N ATOM 558 CA CYS A 34 -31.461 -5.509 -10.059 1.00 0.00 C ATOM 559 C CYS A 34 -30.994 -6.570 -9.059 1.00 0.00 C ATOM 560 O CYS A 34 -30.896 -6.313 -7.876 1.00 0.00 O ATOM 561 CB CYS A 34 -30.281 -4.999 -10.882 1.00 0.00 C ATOM 562 SG CYS A 34 -29.641 -6.333 -11.910 1.00 0.00 S ATOM 0 H CYS A 34 -31.612 -3.423 -9.638 1.00 0.00 H new ATOM 0 HA CYS A 34 -32.226 -5.956 -10.694 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -30.595 -4.163 -11.507 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -29.498 -4.627 -10.222 1.00 0.00 H new ATOM 567 N THR A 35 -30.704 -7.754 -9.512 1.00 0.00 N ATOM 568 CA THR A 35 -30.249 -8.809 -8.566 1.00 0.00 C ATOM 569 C THR A 35 -29.106 -9.627 -9.172 1.00 0.00 C ATOM 570 O THR A 35 -28.658 -10.597 -8.594 1.00 0.00 O ATOM 571 CB THR A 35 -31.479 -9.686 -8.334 1.00 0.00 C ATOM 572 OG1 THR A 35 -32.171 -9.863 -9.562 1.00 0.00 O ATOM 573 CG2 THR A 35 -32.404 -9.011 -7.319 1.00 0.00 C ATOM 0 H THR A 35 -30.761 -8.038 -10.490 1.00 0.00 H new ATOM 0 HA THR A 35 -29.865 -8.387 -7.637 1.00 0.00 H new ATOM 0 HB THR A 35 -31.166 -10.657 -7.949 1.00 0.00 H new ATOM 0 HG1 THR A 35 -32.959 -10.427 -9.415 1.00 0.00 H new ATOM 0 HG21 THR A 35 -33.281 -9.637 -7.154 1.00 0.00 H new ATOM 0 HG22 THR A 35 -31.873 -8.875 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 35 -32.718 -8.040 -7.702 1.00 0.00 H new ATOM 581 N CYS A 36 -28.618 -9.246 -10.323 1.00 0.00 N ATOM 582 CA CYS A 36 -27.496 -10.016 -10.928 1.00 0.00 C ATOM 583 C CYS A 36 -26.396 -10.206 -9.869 1.00 0.00 C ATOM 584 O CYS A 36 -26.508 -9.717 -8.762 1.00 0.00 O ATOM 585 CB CYS A 36 -27.009 -9.173 -12.106 1.00 0.00 C ATOM 586 SG CYS A 36 -26.137 -7.722 -11.494 1.00 0.00 S ATOM 0 H CYS A 36 -28.944 -8.445 -10.864 1.00 0.00 H new ATOM 0 HA CYS A 36 -27.790 -11.009 -11.268 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -26.350 -9.765 -12.741 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -27.855 -8.868 -12.722 1.00 0.00 H new ATOM 591 N GLU A 37 -25.350 -10.922 -10.178 1.00 0.00 N ATOM 592 CA GLU A 37 -24.277 -11.145 -9.156 1.00 0.00 C ATOM 593 C GLU A 37 -23.305 -9.959 -9.094 1.00 0.00 C ATOM 594 O GLU A 37 -22.382 -9.944 -8.302 1.00 0.00 O ATOM 595 CB GLU A 37 -23.550 -12.408 -9.617 1.00 0.00 C ATOM 596 CG GLU A 37 -22.878 -12.148 -10.966 1.00 0.00 C ATOM 597 CD GLU A 37 -22.991 -13.397 -11.842 1.00 0.00 C ATOM 598 OE1 GLU A 37 -22.158 -14.276 -11.697 1.00 0.00 O ATOM 599 OE2 GLU A 37 -23.910 -13.455 -12.643 1.00 0.00 O ATOM 0 H GLU A 37 -25.188 -11.361 -11.085 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.694 -11.246 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -22.804 -12.701 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -24.255 -13.235 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -23.350 -11.299 -11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -21.830 -11.888 -10.818 1.00 0.00 H new ATOM 606 N LYS A 38 -23.517 -8.959 -9.899 1.00 0.00 N ATOM 607 CA LYS A 38 -22.620 -7.768 -9.869 1.00 0.00 C ATOM 608 C LYS A 38 -23.314 -6.659 -9.088 1.00 0.00 C ATOM 609 O LYS A 38 -22.698 -5.729 -8.604 1.00 0.00 O ATOM 610 CB LYS A 38 -22.436 -7.367 -11.334 1.00 0.00 C ATOM 611 CG LYS A 38 -20.978 -7.585 -11.746 1.00 0.00 C ATOM 612 CD LYS A 38 -20.693 -6.817 -13.038 1.00 0.00 C ATOM 613 CE LYS A 38 -19.296 -6.196 -12.967 1.00 0.00 C ATOM 614 NZ LYS A 38 -18.621 -6.627 -14.223 1.00 0.00 N ATOM 0 H LYS A 38 -24.275 -8.913 -10.580 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.660 -7.964 -9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.096 -7.958 -11.969 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.711 -6.322 -11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.310 -7.246 -10.954 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.785 -8.648 -11.892 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.761 -7.488 -13.894 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.442 -6.038 -13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.350 -5.109 -12.900 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.753 -6.543 -12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.656 -6.240 -14.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.579 -7.666 -14.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.156 -6.276 -15.043 1.00 0.00 H new ATOM 628 N CYS A 39 -24.599 -6.783 -8.939 1.00 0.00 N ATOM 629 CA CYS A 39 -25.371 -5.783 -8.171 1.00 0.00 C ATOM 630 C CYS A 39 -25.363 -6.223 -6.713 1.00 0.00 C ATOM 631 O CYS A 39 -25.179 -5.434 -5.808 1.00 0.00 O ATOM 632 CB CYS A 39 -26.777 -5.856 -8.753 1.00 0.00 C ATOM 633 SG CYS A 39 -27.013 -4.523 -9.949 1.00 0.00 S ATOM 0 H CYS A 39 -25.153 -7.548 -9.324 1.00 0.00 H new ATOM 0 HA CYS A 39 -24.975 -4.769 -8.227 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -26.931 -6.821 -9.235 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -27.515 -5.776 -7.955 1.00 0.00 H new ATOM 638 N ARG A 40 -25.525 -7.502 -6.490 1.00 0.00 N ATOM 639 CA ARG A 40 -25.486 -8.022 -5.101 1.00 0.00 C ATOM 640 C ARG A 40 -24.036 -7.988 -4.633 1.00 0.00 C ATOM 641 O ARG A 40 -23.738 -7.754 -3.479 1.00 0.00 O ATOM 642 CB ARG A 40 -25.996 -9.460 -5.191 1.00 0.00 C ATOM 643 CG ARG A 40 -27.516 -9.477 -5.015 1.00 0.00 C ATOM 644 CD ARG A 40 -28.046 -10.880 -5.318 1.00 0.00 C ATOM 645 NE ARG A 40 -27.446 -11.750 -4.267 1.00 0.00 N ATOM 646 CZ ARG A 40 -28.195 -12.242 -3.319 1.00 0.00 C ATOM 647 NH1 ARG A 40 -29.387 -12.696 -3.599 1.00 0.00 N ATOM 648 NH2 ARG A 40 -27.755 -12.279 -2.091 1.00 0.00 N ATOM 0 H ARG A 40 -25.682 -8.204 -7.213 1.00 0.00 H new ATOM 0 HA ARG A 40 -26.088 -7.444 -4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -25.726 -9.893 -6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -25.524 -10.073 -4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -27.779 -9.189 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -27.979 -8.749 -5.682 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -29.135 -10.908 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -27.753 -11.206 -6.316 1.00 0.00 H new ATOM 0 HE ARG A 40 -26.448 -11.961 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -29.732 -12.666 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -29.973 -13.081 -2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -26.825 -11.923 -1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -28.341 -12.664 -1.351 1.00 0.00 H new ATOM 662 N LEU A 41 -23.130 -8.197 -5.549 1.00 0.00 N ATOM 663 CA LEU A 41 -21.684 -8.154 -5.205 1.00 0.00 C ATOM 664 C LEU A 41 -21.319 -6.724 -4.809 1.00 0.00 C ATOM 665 O LEU A 41 -20.448 -6.489 -3.996 1.00 0.00 O ATOM 666 CB LEU A 41 -20.970 -8.587 -6.493 1.00 0.00 C ATOM 667 CG LEU A 41 -19.580 -7.949 -6.581 1.00 0.00 C ATOM 668 CD1 LEU A 41 -18.861 -8.083 -5.238 1.00 0.00 C ATOM 669 CD2 LEU A 41 -18.764 -8.658 -7.665 1.00 0.00 C ATOM 0 H LEU A 41 -23.333 -8.397 -6.528 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.408 -8.797 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.880 -9.673 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -21.564 -8.297 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.685 -6.893 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -17.873 -7.627 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.440 -7.579 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.757 -9.138 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.774 -8.206 -7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.665 -9.714 -7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.271 -8.560 -8.625 1.00 0.00 H new ATOM 681 N THR A 42 -22.003 -5.771 -5.372 1.00 0.00 N ATOM 682 CA THR A 42 -21.730 -4.349 -5.031 1.00 0.00 C ATOM 683 C THR A 42 -22.216 -4.070 -3.614 1.00 0.00 C ATOM 684 O THR A 42 -21.437 -3.843 -2.709 1.00 0.00 O ATOM 685 CB THR A 42 -22.535 -3.540 -6.045 1.00 0.00 C ATOM 686 OG1 THR A 42 -21.871 -3.562 -7.302 1.00 0.00 O ATOM 687 CG2 THR A 42 -22.668 -2.095 -5.561 1.00 0.00 C ATOM 0 H THR A 42 -22.744 -5.916 -6.058 1.00 0.00 H new ATOM 0 HA THR A 42 -20.670 -4.099 -5.069 1.00 0.00 H new ATOM 0 HB THR A 42 -23.528 -3.977 -6.151 1.00 0.00 H new ATOM 0 HG1 THR A 42 -21.946 -4.456 -7.696 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.243 -1.520 -6.287 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.179 -2.079 -4.598 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.677 -1.655 -5.453 1.00 0.00 H new ATOM 695 N ALA A 43 -23.502 -4.106 -3.417 1.00 0.00 N ATOM 696 CA ALA A 43 -24.054 -3.867 -2.054 1.00 0.00 C ATOM 697 C ALA A 43 -23.206 -4.632 -1.042 1.00 0.00 C ATOM 698 O ALA A 43 -23.033 -4.223 0.088 1.00 0.00 O ATOM 699 CB ALA A 43 -25.479 -4.424 -2.095 1.00 0.00 C ATOM 0 H ALA A 43 -24.197 -4.291 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.049 -2.815 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -25.952 -4.284 -1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -26.053 -3.898 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -25.447 -5.487 -2.333 1.00 0.00 H new ATOM 705 N ASP A 44 -22.658 -5.738 -1.462 1.00 0.00 N ATOM 706 CA ASP A 44 -21.796 -6.540 -0.557 1.00 0.00 C ATOM 707 C ASP A 44 -20.485 -5.789 -0.318 1.00 0.00 C ATOM 708 O ASP A 44 -19.976 -5.733 0.783 1.00 0.00 O ATOM 709 CB ASP A 44 -21.541 -7.839 -1.321 1.00 0.00 C ATOM 710 CG ASP A 44 -21.063 -8.920 -0.350 1.00 0.00 C ATOM 711 OD1 ASP A 44 -20.973 -8.630 0.832 1.00 0.00 O ATOM 712 OD2 ASP A 44 -20.795 -10.020 -0.805 1.00 0.00 O ATOM 0 H ASP A 44 -22.773 -6.121 -2.400 1.00 0.00 H new ATOM 0 HA ASP A 44 -22.249 -6.725 0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -22.453 -8.163 -1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -20.793 -7.676 -2.096 1.00 0.00 H new ATOM 717 N ARG A 45 -19.943 -5.206 -1.352 1.00 0.00 N ATOM 718 CA ARG A 45 -18.669 -4.446 -1.206 1.00 0.00 C ATOM 719 C ARG A 45 -18.835 -3.339 -0.160 1.00 0.00 C ATOM 720 O ARG A 45 -17.921 -3.026 0.577 1.00 0.00 O ATOM 721 CB ARG A 45 -18.415 -3.842 -2.588 1.00 0.00 C ATOM 722 CG ARG A 45 -16.942 -4.016 -2.962 1.00 0.00 C ATOM 723 CD ARG A 45 -16.812 -4.136 -4.482 1.00 0.00 C ATOM 724 NE ARG A 45 -16.907 -2.738 -4.989 1.00 0.00 N ATOM 725 CZ ARG A 45 -15.902 -2.206 -5.628 1.00 0.00 C ATOM 726 NH1 ARG A 45 -14.908 -1.683 -4.963 1.00 0.00 N ATOM 727 NH2 ARG A 45 -15.889 -2.197 -6.933 1.00 0.00 N ATOM 0 H ARG A 45 -20.329 -5.223 -2.296 1.00 0.00 H new ATOM 0 HA ARG A 45 -17.843 -5.076 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -19.049 -4.328 -3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -18.678 -2.784 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.362 -3.166 -2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.536 -4.906 -2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.863 -4.594 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.602 -4.761 -4.898 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.758 -2.197 -4.836 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.917 -1.690 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.122 -1.267 -5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.665 -2.606 -7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.103 -1.781 -7.432 1.00 0.00 H new ATOM 741 N GLN A 46 -19.996 -2.746 -0.092 1.00 0.00 N ATOM 742 CA GLN A 46 -20.223 -1.659 0.904 1.00 0.00 C ATOM 743 C GLN A 46 -20.649 -2.253 2.250 1.00 0.00 C ATOM 744 O GLN A 46 -20.485 -1.643 3.287 1.00 0.00 O ATOM 745 CB GLN A 46 -21.350 -0.812 0.312 1.00 0.00 C ATOM 746 CG GLN A 46 -21.572 0.426 1.182 1.00 0.00 C ATOM 747 CD GLN A 46 -22.154 1.552 0.327 1.00 0.00 C ATOM 748 OE1 GLN A 46 -21.824 2.707 0.515 1.00 0.00 O ATOM 749 NE2 GLN A 46 -23.014 1.264 -0.612 1.00 0.00 N ATOM 0 H GLN A 46 -20.797 -2.967 -0.683 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.323 -1.072 1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -21.098 -0.513 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -22.267 -1.398 0.255 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -22.250 0.190 2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -20.630 0.744 1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -23.291 0.295 -0.770 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -23.409 2.008 -1.188 1.00 0.00 H new ATOM 758 N ARG A 47 -21.197 -3.437 2.240 1.00 0.00 N ATOM 759 CA ARG A 47 -21.633 -4.064 3.522 1.00 0.00 C ATOM 760 C ARG A 47 -20.419 -4.362 4.404 1.00 0.00 C ATOM 761 O ARG A 47 -19.416 -4.873 3.947 1.00 0.00 O ATOM 762 CB ARG A 47 -22.333 -5.362 3.111 1.00 0.00 C ATOM 763 CG ARG A 47 -22.543 -6.250 4.344 1.00 0.00 C ATOM 764 CD ARG A 47 -24.038 -6.357 4.651 1.00 0.00 C ATOM 765 NE ARG A 47 -24.182 -5.849 6.044 1.00 0.00 N ATOM 766 CZ ARG A 47 -25.054 -4.915 6.313 1.00 0.00 C ATOM 767 NH1 ARG A 47 -25.223 -3.923 5.482 1.00 0.00 N ATOM 768 NH2 ARG A 47 -25.758 -4.975 7.410 1.00 0.00 N ATOM 0 H ARG A 47 -21.362 -3.997 1.403 1.00 0.00 H new ATOM 0 HA ARG A 47 -22.290 -3.413 4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -23.293 -5.137 2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -21.734 -5.890 2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -22.126 -7.241 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -22.015 -5.831 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -24.628 -5.765 3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -24.385 -7.387 4.568 1.00 0.00 H new ATOM 0 HE ARG A 47 -23.599 -6.231 6.788 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -24.674 -3.878 4.623 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -25.904 -3.193 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -25.627 -5.752 8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -26.439 -4.245 7.620 1.00 0.00 H new ATOM 782 N VAL A 48 -20.507 -4.051 5.668 1.00 0.00 N ATOM 783 CA VAL A 48 -19.364 -4.320 6.586 1.00 0.00 C ATOM 784 C VAL A 48 -19.777 -5.348 7.641 1.00 0.00 C ATOM 785 O VAL A 48 -20.627 -5.095 8.470 1.00 0.00 O ATOM 786 CB VAL A 48 -19.048 -2.971 7.237 1.00 0.00 C ATOM 787 CG1 VAL A 48 -20.210 -2.550 8.141 1.00 0.00 C ATOM 788 CG2 VAL A 48 -17.772 -3.098 8.072 1.00 0.00 C ATOM 0 H VAL A 48 -21.322 -3.622 6.105 1.00 0.00 H new ATOM 0 HA VAL A 48 -18.497 -4.727 6.065 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.905 -2.219 6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.982 -1.589 8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -21.119 -2.460 7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -20.357 -3.300 8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -17.544 -2.139 8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -17.917 -3.851 8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -16.944 -3.395 7.428 1.00 0.00 H new ATOM 798 N MET A 49 -19.186 -6.512 7.612 1.00 0.00 N ATOM 799 CA MET A 49 -19.551 -7.558 8.610 1.00 0.00 C ATOM 800 C MET A 49 -18.752 -7.369 9.904 1.00 0.00 C ATOM 801 O MET A 49 -18.647 -8.266 10.715 1.00 0.00 O ATOM 802 CB MET A 49 -19.187 -8.886 7.944 1.00 0.00 C ATOM 803 CG MET A 49 -19.917 -9.008 6.605 1.00 0.00 C ATOM 804 SD MET A 49 -21.704 -9.007 6.887 1.00 0.00 S ATOM 805 CE MET A 49 -22.136 -10.221 5.616 1.00 0.00 C ATOM 0 H MET A 49 -18.467 -6.784 6.941 1.00 0.00 H new ATOM 0 HA MET A 49 -20.605 -7.512 8.883 1.00 0.00 H new ATOM 0 HB2 MET A 49 -18.110 -8.943 7.788 1.00 0.00 H new ATOM 0 HB3 MET A 49 -19.459 -9.717 8.595 1.00 0.00 H new ATOM 0 HG2 MET A 49 -19.641 -8.180 5.952 1.00 0.00 H new ATOM 0 HG3 MET A 49 -19.619 -9.926 6.099 1.00 0.00 H new ATOM 0 HE1 MET A 49 -23.215 -10.377 5.614 1.00 0.00 H new ATOM 0 HE2 MET A 49 -21.820 -9.854 4.640 1.00 0.00 H new ATOM 0 HE3 MET A 49 -21.633 -11.165 5.828 1.00 0.00 H new ATOM 815 N ALA A 50 -18.189 -6.208 10.105 1.00 0.00 N ATOM 816 CA ALA A 50 -17.401 -5.967 11.349 1.00 0.00 C ATOM 817 C ALA A 50 -18.030 -4.830 12.160 1.00 0.00 C ATOM 818 O ALA A 50 -18.226 -3.737 11.664 1.00 0.00 O ATOM 819 CB ALA A 50 -16.006 -5.572 10.865 1.00 0.00 C ATOM 0 H ALA A 50 -18.240 -5.417 9.463 1.00 0.00 H new ATOM 0 HA ALA A 50 -17.374 -6.843 11.997 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.364 -5.378 11.724 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.583 -6.383 10.273 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.074 -4.673 10.252 1.00 0.00 H new ATOM 825 N LEU A 51 -18.348 -5.076 13.402 1.00 0.00 N ATOM 826 CA LEU A 51 -18.963 -4.008 14.242 1.00 0.00 C ATOM 827 C LEU A 51 -18.068 -3.698 15.446 1.00 0.00 C ATOM 828 O LEU A 51 -18.119 -4.370 16.457 1.00 0.00 O ATOM 829 CB LEU A 51 -20.302 -4.586 14.704 1.00 0.00 C ATOM 830 CG LEU A 51 -21.416 -3.572 14.437 1.00 0.00 C ATOM 831 CD1 LEU A 51 -21.167 -2.310 15.265 1.00 0.00 C ATOM 832 CD2 LEU A 51 -21.430 -3.212 12.951 1.00 0.00 C ATOM 0 H LEU A 51 -18.209 -5.971 13.872 1.00 0.00 H new ATOM 0 HA LEU A 51 -19.090 -3.075 13.693 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -20.509 -5.517 14.177 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -20.260 -4.824 15.767 1.00 0.00 H new ATOM 0 HG LEU A 51 -22.377 -4.005 14.716 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -21.961 -1.588 15.075 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -21.156 -2.566 16.324 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.207 -1.876 14.987 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -22.223 -2.490 12.759 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -20.469 -2.779 12.673 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -21.607 -4.111 12.361 1.00 0.00 H new ATOM 844 N GLN A 52 -17.249 -2.687 15.347 1.00 0.00 N ATOM 845 CA GLN A 52 -16.352 -2.339 16.487 1.00 0.00 C ATOM 846 C GLN A 52 -16.073 -0.833 16.498 1.00 0.00 C ATOM 847 O GLN A 52 -16.388 -0.200 17.493 1.00 0.00 O ATOM 848 CB GLN A 52 -15.063 -3.120 16.232 1.00 0.00 C ATOM 849 CG GLN A 52 -14.585 -3.761 17.537 1.00 0.00 C ATOM 850 CD GLN A 52 -14.343 -2.669 18.582 1.00 0.00 C ATOM 851 OE1 GLN A 52 -15.190 -2.410 19.413 1.00 0.00 O ATOM 852 NE2 GLN A 52 -13.212 -2.017 18.577 1.00 0.00 N ATOM 853 OXT GLN A 52 -15.551 -0.340 15.513 1.00 0.00 O ATOM 0 H GLN A 52 -17.162 -2.087 14.527 1.00 0.00 H new ATOM 0 HA GLN A 52 -16.795 -2.588 17.451 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -15.235 -3.889 15.479 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -14.294 -2.455 15.839 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -15.329 -4.469 17.901 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.668 -4.324 17.364 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.501 -2.235 17.879 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -13.039 -1.290 19.271 1.00 0.00 H new TER 862 GLN A 52 HETATM 863 ZN ZN A 53 -27.419 -5.873 -11.737 1.00 0.00 ZN HETATM 864 ZN ZN A 54 -27.027 3.501 -10.398 1.00 0.00 ZN