USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 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 9 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.5!) USER MOD Set 1.2: A 19 LYS NZ :NH3+ -162:sc= 0 (180deg=0) USER MOD Set 2.1: A 15 ASN : amide:sc= -15.1! C(o=-14!,f=-23!) USER MOD Set 2.2: A 42 THR OG1 : rot 73:sc= 1.03 USER MOD Set 3.1: A 3 SER OG : rot -32:sc= 1.18 USER MOD Set 3.2: A 6 THR OG1 : rot -79:sc= -0.227 USER MOD Single : A 1 SER N :NH3+ 170:sc=-0.00651 (180deg=-0.128) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 121:sc= -0.802! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= -0.037 (180deg=-0.508) 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= -3.07! C(o=-3.1!,f=-2.7!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0399 K(o=-0.04,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.695 -2.936 -14.060 1.00 0.00 N ATOM 2 CA SER A 1 -15.438 -2.923 -12.768 1.00 0.00 C ATOM 3 C SER A 1 -14.506 -2.498 -11.630 1.00 0.00 C ATOM 4 O SER A 1 -14.617 -2.969 -10.515 1.00 0.00 O ATOM 5 CB SER A 1 -15.911 -4.362 -12.566 1.00 0.00 C ATOM 6 OG SER A 1 -14.784 -5.201 -12.354 1.00 0.00 O ATOM 0 H1 SER A 1 -15.281 -3.384 -14.793 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.473 -1.960 -14.343 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.812 -3.473 -13.947 1.00 0.00 H new ATOM 0 HA SER A 1 -16.271 -2.220 -12.777 1.00 0.00 H new ATOM 0 HB2 SER A 1 -16.587 -4.419 -11.713 1.00 0.00 H new ATOM 0 HB3 SER A 1 -16.471 -4.699 -13.439 1.00 0.00 H new ATOM 0 HG SER A 1 -15.084 -6.125 -12.222 1.00 0.00 H new ATOM 14 N ILE A 2 -13.589 -1.611 -11.903 1.00 0.00 N ATOM 15 CA ILE A 2 -12.652 -1.156 -10.837 1.00 0.00 C ATOM 16 C ILE A 2 -12.456 0.361 -10.921 1.00 0.00 C ATOM 17 O ILE A 2 -12.040 0.889 -11.933 1.00 0.00 O ATOM 18 CB ILE A 2 -11.340 -1.892 -11.123 1.00 0.00 C ATOM 19 CG1 ILE A 2 -10.451 -1.844 -9.880 1.00 0.00 C ATOM 20 CG2 ILE A 2 -10.616 -1.227 -12.296 1.00 0.00 C ATOM 21 CD1 ILE A 2 -11.047 -2.742 -8.794 1.00 0.00 C ATOM 0 H ILE A 2 -13.448 -1.182 -12.817 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.025 -1.370 -9.835 1.00 0.00 H new ATOM 0 HB ILE A 2 -11.557 -2.929 -11.379 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.442 -2.175 -10.128 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -10.370 -0.820 -9.516 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.683 -1.755 -12.495 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.249 -1.263 -13.182 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.399 -0.188 -12.048 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -10.414 -2.709 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -12.047 -2.391 -8.540 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -11.105 -3.767 -9.161 1.00 0.00 H new ATOM 33 N SER A 3 -12.757 1.068 -9.866 1.00 0.00 N ATOM 34 CA SER A 3 -12.592 2.550 -9.890 1.00 0.00 C ATOM 35 C SER A 3 -11.533 2.988 -8.872 1.00 0.00 C ATOM 36 O SER A 3 -11.861 3.435 -7.791 1.00 0.00 O ATOM 37 CB SER A 3 -13.964 3.105 -9.512 1.00 0.00 C ATOM 38 OG SER A 3 -14.192 4.317 -10.218 1.00 0.00 O ATOM 0 H SER A 3 -13.110 0.684 -8.989 1.00 0.00 H new ATOM 0 HA SER A 3 -12.259 2.911 -10.863 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.741 2.379 -9.752 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.014 3.282 -8.438 1.00 0.00 H new ATOM 0 HG SER A 3 -13.340 4.781 -10.355 1.00 0.00 H new ATOM 44 N PRO A 4 -10.294 2.845 -9.259 1.00 0.00 N ATOM 45 CA PRO A 4 -9.171 3.233 -8.373 1.00 0.00 C ATOM 46 C PRO A 4 -9.018 4.758 -8.340 1.00 0.00 C ATOM 47 O PRO A 4 -9.198 5.387 -7.317 1.00 0.00 O ATOM 48 CB PRO A 4 -7.959 2.574 -9.025 1.00 0.00 C ATOM 49 CG PRO A 4 -8.325 2.405 -10.466 1.00 0.00 C ATOM 50 CD PRO A 4 -9.830 2.312 -10.544 1.00 0.00 C ATOM 0 HA PRO A 4 -9.312 2.922 -7.338 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -7.069 3.194 -8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -7.737 1.613 -8.561 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -7.962 3.247 -11.055 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.864 1.507 -10.876 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.221 2.892 -11.380 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.158 1.283 -10.689 1.00 0.00 H new ATOM 58 N ARG A 5 -8.691 5.356 -9.453 1.00 0.00 N ATOM 59 CA ARG A 5 -8.531 6.837 -9.488 1.00 0.00 C ATOM 60 C ARG A 5 -9.524 7.443 -10.484 1.00 0.00 C ATOM 61 O ARG A 5 -9.219 8.387 -11.186 1.00 0.00 O ATOM 62 CB ARG A 5 -7.093 7.068 -9.955 1.00 0.00 C ATOM 63 CG ARG A 5 -6.935 6.554 -11.387 1.00 0.00 C ATOM 64 CD ARG A 5 -5.485 6.735 -11.838 1.00 0.00 C ATOM 65 NE ARG A 5 -5.325 8.202 -12.034 1.00 0.00 N ATOM 66 CZ ARG A 5 -4.206 8.679 -12.504 1.00 0.00 C ATOM 67 NH1 ARG A 5 -3.919 8.540 -13.770 1.00 0.00 N ATOM 68 NH2 ARG A 5 -3.375 9.298 -11.711 1.00 0.00 N ATOM 0 H ARG A 5 -8.528 4.882 -10.341 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.722 7.301 -8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.850 8.130 -9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -6.397 6.553 -9.293 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -7.215 5.502 -11.440 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.605 7.096 -12.055 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -4.788 6.358 -11.089 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.287 6.189 -12.761 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.091 8.834 -11.801 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.570 8.059 -14.391 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.044 8.913 -14.138 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.600 9.409 -10.722 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.500 9.671 -12.080 1.00 0.00 H new ATOM 82 N THR A 6 -10.709 6.901 -10.549 1.00 0.00 N ATOM 83 CA THR A 6 -11.729 7.434 -11.499 1.00 0.00 C ATOM 84 C THR A 6 -12.787 8.244 -10.742 1.00 0.00 C ATOM 85 O THR A 6 -12.755 8.327 -9.530 1.00 0.00 O ATOM 86 CB THR A 6 -12.359 6.192 -12.136 1.00 0.00 C ATOM 87 OG1 THR A 6 -12.036 5.045 -11.358 1.00 0.00 O ATOM 88 CG2 THR A 6 -11.820 6.015 -13.556 1.00 0.00 C ATOM 0 H THR A 6 -11.017 6.110 -9.984 1.00 0.00 H new ATOM 0 HA THR A 6 -11.293 8.100 -12.243 1.00 0.00 H new ATOM 0 HB THR A 6 -13.442 6.313 -12.173 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.123 4.756 -11.565 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.269 5.131 -14.008 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.069 6.893 -14.152 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.737 5.895 -13.522 1.00 0.00 H new ATOM 96 N PRO A 7 -13.695 8.816 -11.490 1.00 0.00 N ATOM 97 CA PRO A 7 -14.777 9.629 -10.883 1.00 0.00 C ATOM 98 C PRO A 7 -15.779 8.727 -10.152 1.00 0.00 C ATOM 99 O PRO A 7 -15.797 7.529 -10.351 1.00 0.00 O ATOM 100 CB PRO A 7 -15.423 10.318 -12.082 1.00 0.00 C ATOM 101 CG PRO A 7 -15.112 9.437 -13.249 1.00 0.00 C ATOM 102 CD PRO A 7 -13.798 8.760 -12.952 1.00 0.00 C ATOM 0 HA PRO A 7 -14.417 10.339 -10.138 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -16.499 10.424 -11.944 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.020 11.320 -12.226 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -15.901 8.700 -13.397 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -15.046 10.021 -14.167 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.787 7.732 -13.314 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.966 9.275 -13.431 1.00 0.00 H new ATOM 110 N PRO A 8 -16.574 9.342 -9.319 1.00 0.00 N ATOM 111 CA PRO A 8 -17.587 8.594 -8.532 1.00 0.00 C ATOM 112 C PRO A 8 -18.760 8.160 -9.419 1.00 0.00 C ATOM 113 O PRO A 8 -18.967 8.685 -10.494 1.00 0.00 O ATOM 114 CB PRO A 8 -18.046 9.607 -7.489 1.00 0.00 C ATOM 115 CG PRO A 8 -17.771 10.946 -8.096 1.00 0.00 C ATOM 116 CD PRO A 8 -16.603 10.781 -9.033 1.00 0.00 C ATOM 0 HA PRO A 8 -17.190 7.679 -8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.106 9.487 -7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.504 9.481 -6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.646 11.312 -8.633 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.543 11.679 -7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.736 11.366 -9.943 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.673 11.115 -8.573 1.00 0.00 H new ATOM 124 N ASN A 9 -19.526 7.204 -8.966 1.00 0.00 N ATOM 125 CA ASN A 9 -20.691 6.725 -9.769 1.00 0.00 C ATOM 126 C ASN A 9 -21.430 5.627 -9.012 1.00 0.00 C ATOM 127 O ASN A 9 -20.902 5.013 -8.107 1.00 0.00 O ATOM 128 CB ASN A 9 -20.092 6.173 -11.061 1.00 0.00 C ATOM 129 CG ASN A 9 -19.372 4.854 -10.768 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.000 3.859 -10.466 1.00 0.00 O ATOM 131 ND2 ASN A 9 -18.070 4.804 -10.847 1.00 0.00 N ATOM 0 H ASN A 9 -19.395 6.732 -8.071 1.00 0.00 H new ATOM 0 HA ASN A 9 -21.410 7.521 -9.966 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.878 6.014 -11.800 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.394 6.893 -11.488 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.581 3.930 -10.655 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.542 5.639 -11.101 1.00 0.00 H new ATOM 138 N CYS A 10 -22.650 5.374 -9.383 1.00 0.00 N ATOM 139 CA CYS A 10 -23.434 4.315 -8.697 1.00 0.00 C ATOM 140 C CYS A 10 -22.931 2.938 -9.128 1.00 0.00 C ATOM 141 O CYS A 10 -22.835 2.648 -10.305 1.00 0.00 O ATOM 142 CB CYS A 10 -24.868 4.513 -9.178 1.00 0.00 C ATOM 143 SG CYS A 10 -25.895 3.178 -8.548 1.00 0.00 S ATOM 0 H CYS A 10 -23.141 5.857 -10.135 1.00 0.00 H new ATOM 0 HA CYS A 10 -23.349 4.375 -7.612 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -25.250 5.474 -8.834 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -24.900 4.529 -10.267 1.00 0.00 H new ATOM 148 N ALA A 11 -22.605 2.078 -8.202 1.00 0.00 N ATOM 149 CA ALA A 11 -22.114 0.734 -8.609 1.00 0.00 C ATOM 150 C ALA A 11 -23.278 -0.205 -8.894 1.00 0.00 C ATOM 151 O ALA A 11 -23.101 -1.263 -9.406 1.00 0.00 O ATOM 152 CB ALA A 11 -21.273 0.213 -7.450 1.00 0.00 C ATOM 0 H ALA A 11 -22.656 2.245 -7.197 1.00 0.00 H new ATOM 0 HA ALA A 11 -21.527 0.794 -9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -20.886 -0.776 -7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.441 0.894 -7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -21.890 0.148 -6.554 1.00 0.00 H new ATOM 158 N ARG A 12 -24.474 0.160 -8.599 1.00 0.00 N ATOM 159 CA ARG A 12 -25.585 -0.771 -8.929 1.00 0.00 C ATOM 160 C ARG A 12 -25.740 -0.795 -10.433 1.00 0.00 C ATOM 161 O ARG A 12 -25.831 -1.834 -11.056 1.00 0.00 O ATOM 162 CB ARG A 12 -26.816 -0.155 -8.279 1.00 0.00 C ATOM 163 CG ARG A 12 -28.013 -1.076 -8.484 1.00 0.00 C ATOM 164 CD ARG A 12 -28.772 -1.232 -7.163 1.00 0.00 C ATOM 165 NE ARG A 12 -27.737 -1.625 -6.169 1.00 0.00 N ATOM 166 CZ ARG A 12 -28.038 -1.690 -4.901 1.00 0.00 C ATOM 167 NH1 ARG A 12 -28.910 -2.565 -4.480 1.00 0.00 N ATOM 168 NH2 ARG A 12 -27.466 -0.879 -4.053 1.00 0.00 N ATOM 0 H ARG A 12 -24.739 1.039 -8.154 1.00 0.00 H new ATOM 0 HA ARG A 12 -25.420 -1.791 -8.582 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -26.640 -0.001 -7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -27.018 0.824 -8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -28.673 -0.666 -9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -27.678 -2.050 -8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -29.261 -0.301 -6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -29.551 -1.990 -7.242 1.00 0.00 H new ATOM 0 HE ARG A 12 -26.790 -1.844 -6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -29.357 -3.199 -5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -29.145 -2.615 -3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -26.784 -0.195 -4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -27.701 -0.929 -3.062 1.00 0.00 H new ATOM 182 N CYS A 13 -25.769 0.354 -11.010 1.00 0.00 N ATOM 183 CA CYS A 13 -25.913 0.448 -12.481 1.00 0.00 C ATOM 184 C CYS A 13 -24.535 0.328 -13.176 1.00 0.00 C ATOM 185 O CYS A 13 -24.449 0.217 -14.388 1.00 0.00 O ATOM 186 CB CYS A 13 -26.568 1.819 -12.690 1.00 0.00 C ATOM 187 SG CYS A 13 -25.504 3.101 -12.074 1.00 0.00 S ATOM 0 H CYS A 13 -25.699 1.248 -10.525 1.00 0.00 H new ATOM 0 HA CYS A 13 -26.510 -0.354 -12.916 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -26.767 1.978 -13.750 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -27.529 1.854 -12.176 1.00 0.00 H new ATOM 192 N ARG A 14 -23.448 0.318 -12.431 1.00 0.00 N ATOM 193 CA ARG A 14 -22.107 0.182 -13.092 1.00 0.00 C ATOM 194 C ARG A 14 -21.893 -1.259 -13.558 1.00 0.00 C ATOM 195 O ARG A 14 -20.974 -1.568 -14.290 1.00 0.00 O ATOM 196 CB ARG A 14 -21.090 0.584 -11.998 1.00 0.00 C ATOM 197 CG ARG A 14 -20.317 -0.632 -11.411 1.00 0.00 C ATOM 198 CD ARG A 14 -21.261 -1.761 -11.013 1.00 0.00 C ATOM 199 NE ARG A 14 -20.879 -2.119 -9.621 1.00 0.00 N ATOM 200 CZ ARG A 14 -19.725 -2.679 -9.386 1.00 0.00 C ATOM 201 NH1 ARG A 14 -19.511 -3.910 -9.765 1.00 0.00 N ATOM 202 NH2 ARG A 14 -18.785 -2.009 -8.779 1.00 0.00 N ATOM 0 H ARG A 14 -23.431 0.397 -11.414 1.00 0.00 H new ATOM 0 HA ARG A 14 -22.006 0.806 -13.980 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -20.376 1.294 -12.416 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -21.615 1.097 -11.192 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -19.602 -0.998 -12.147 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.744 -0.313 -10.541 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -22.302 -1.441 -11.065 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -21.156 -2.615 -11.682 1.00 0.00 H new ATOM 0 HE ARG A 14 -21.519 -1.927 -8.851 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.246 -4.431 -10.244 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.609 -4.350 -9.582 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.952 -1.046 -8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.883 -2.448 -8.596 1.00 0.00 H new ATOM 216 N ASN A 15 -22.715 -2.141 -13.080 1.00 0.00 N ATOM 217 CA ASN A 15 -22.567 -3.574 -13.410 1.00 0.00 C ATOM 218 C ASN A 15 -22.954 -3.841 -14.851 1.00 0.00 C ATOM 219 O ASN A 15 -22.439 -4.726 -15.505 1.00 0.00 O ATOM 220 CB ASN A 15 -23.553 -4.240 -12.467 1.00 0.00 C ATOM 221 CG ASN A 15 -22.966 -4.198 -11.071 1.00 0.00 C ATOM 222 OD1 ASN A 15 -22.016 -4.891 -10.764 1.00 0.00 O ATOM 223 ND2 ASN A 15 -23.506 -3.396 -10.209 1.00 0.00 N ATOM 0 H ASN A 15 -23.497 -1.923 -12.463 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.544 -3.935 -13.302 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -24.513 -3.724 -12.493 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -23.736 -5.270 -12.773 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -23.134 -3.341 -9.261 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -24.303 -2.819 -10.478 1.00 0.00 H new ATOM 230 N HIS A 16 -23.890 -3.095 -15.326 1.00 0.00 N ATOM 231 CA HIS A 16 -24.380 -3.287 -16.706 1.00 0.00 C ATOM 232 C HIS A 16 -23.752 -2.273 -17.660 1.00 0.00 C ATOM 233 O HIS A 16 -23.834 -2.412 -18.865 1.00 0.00 O ATOM 234 CB HIS A 16 -25.876 -3.089 -16.549 1.00 0.00 C ATOM 235 CG HIS A 16 -26.358 -4.075 -15.543 1.00 0.00 C ATOM 236 ND1 HIS A 16 -26.998 -5.255 -15.900 1.00 0.00 N ATOM 237 CD2 HIS A 16 -26.271 -4.085 -14.185 1.00 0.00 C ATOM 238 CE1 HIS A 16 -27.269 -5.919 -14.764 1.00 0.00 C ATOM 239 NE2 HIS A 16 -26.851 -5.243 -13.699 1.00 0.00 N ATOM 0 H HIS A 16 -24.348 -2.344 -14.809 1.00 0.00 H new ATOM 0 HA HIS A 16 -24.126 -4.255 -17.139 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -26.096 -2.072 -16.224 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -26.384 -3.235 -17.502 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -27.221 -5.560 -16.847 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -25.820 -3.311 -13.582 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -27.763 -6.879 -14.722 1.00 0.00 H new ATOM 247 N GLY A 17 -23.109 -1.265 -17.142 1.00 0.00 N ATOM 248 CA GLY A 17 -22.464 -0.271 -18.046 1.00 0.00 C ATOM 249 C GLY A 17 -23.095 1.097 -17.834 1.00 0.00 C ATOM 250 O GLY A 17 -23.176 1.904 -18.740 1.00 0.00 O ATOM 0 H GLY A 17 -23.002 -1.086 -16.143 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.394 -0.224 -17.846 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.581 -0.580 -19.085 1.00 0.00 H new ATOM 254 N LEU A 18 -23.542 1.367 -16.648 1.00 0.00 N ATOM 255 CA LEU A 18 -24.170 2.684 -16.380 1.00 0.00 C ATOM 256 C LEU A 18 -23.193 3.579 -15.604 1.00 0.00 C ATOM 257 O LEU A 18 -22.367 3.106 -14.848 1.00 0.00 O ATOM 258 CB LEU A 18 -25.399 2.355 -15.538 1.00 0.00 C ATOM 259 CG LEU A 18 -26.582 3.205 -15.990 1.00 0.00 C ATOM 260 CD1 LEU A 18 -26.183 4.673 -15.963 1.00 0.00 C ATOM 261 CD2 LEU A 18 -26.984 2.807 -17.412 1.00 0.00 C ATOM 0 H LEU A 18 -23.501 0.733 -15.850 1.00 0.00 H new ATOM 0 HA LEU A 18 -24.434 3.224 -17.289 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -25.643 1.297 -15.633 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -25.189 2.540 -14.485 1.00 0.00 H new ATOM 0 HG LEU A 18 -27.427 3.044 -15.320 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -27.025 5.285 -16.285 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -25.897 4.954 -14.949 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -25.340 4.833 -16.635 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -27.829 3.415 -17.735 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -26.143 2.968 -18.086 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -27.266 1.754 -17.429 1.00 0.00 H new ATOM 273 N LYS A 19 -23.290 4.864 -15.784 1.00 0.00 N ATOM 274 CA LYS A 19 -22.386 5.806 -15.067 1.00 0.00 C ATOM 275 C LYS A 19 -23.143 7.105 -14.799 1.00 0.00 C ATOM 276 O LYS A 19 -23.140 8.023 -15.595 1.00 0.00 O ATOM 277 CB LYS A 19 -21.211 6.045 -16.018 1.00 0.00 C ATOM 278 CG LYS A 19 -19.904 6.052 -15.222 1.00 0.00 C ATOM 279 CD LYS A 19 -19.760 4.733 -14.457 1.00 0.00 C ATOM 280 CE LYS A 19 -18.334 4.200 -14.622 1.00 0.00 C ATOM 281 NZ LYS A 19 -18.266 3.011 -13.726 1.00 0.00 N ATOM 0 H LYS A 19 -23.966 5.309 -16.405 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.040 5.419 -14.109 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.181 5.266 -16.780 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.338 6.994 -16.538 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.057 6.188 -15.895 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.895 6.891 -14.526 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.982 4.887 -13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.478 4.003 -14.831 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.131 3.927 -15.658 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.596 4.951 -14.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.271 2.772 -13.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.743 3.226 -12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.737 2.204 -14.183 1.00 0.00 H new ATOM 295 N ILE A 20 -23.822 7.164 -13.693 1.00 0.00 N ATOM 296 CA ILE A 20 -24.632 8.374 -13.362 1.00 0.00 C ATOM 297 C ILE A 20 -23.912 9.246 -12.315 1.00 0.00 C ATOM 298 O ILE A 20 -24.394 10.300 -11.952 1.00 0.00 O ATOM 299 CB ILE A 20 -25.986 7.822 -12.836 1.00 0.00 C ATOM 300 CG1 ILE A 20 -26.095 7.959 -11.321 1.00 0.00 C ATOM 301 CG2 ILE A 20 -26.182 6.358 -13.256 1.00 0.00 C ATOM 302 CD1 ILE A 20 -25.564 6.712 -10.672 1.00 0.00 C ATOM 0 H ILE A 20 -23.854 6.421 -12.995 1.00 0.00 H new ATOM 0 HA ILE A 20 -24.782 9.024 -14.224 1.00 0.00 H new ATOM 0 HB ILE A 20 -26.778 8.421 -13.285 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -25.532 8.828 -10.981 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -27.134 8.119 -11.032 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -27.137 5.995 -12.876 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -26.174 6.287 -14.344 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.374 5.751 -12.847 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -25.640 6.805 -9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.147 5.853 -11.004 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.520 6.572 -10.952 1.00 0.00 H new ATOM 314 N THR A 21 -22.786 8.797 -11.812 1.00 0.00 N ATOM 315 CA THR A 21 -22.034 9.578 -10.762 1.00 0.00 C ATOM 316 C THR A 21 -22.680 9.375 -9.380 1.00 0.00 C ATOM 317 O THR A 21 -22.236 9.909 -8.382 1.00 0.00 O ATOM 318 CB THR A 21 -22.123 11.047 -11.182 1.00 0.00 C ATOM 319 OG1 THR A 21 -22.051 11.139 -12.597 1.00 0.00 O ATOM 320 CG2 THR A 21 -20.971 11.834 -10.557 1.00 0.00 C ATOM 0 H THR A 21 -22.348 7.917 -12.082 1.00 0.00 H new ATOM 0 HA THR A 21 -20.998 9.248 -10.685 1.00 0.00 H new ATOM 0 HB THR A 21 -23.069 11.464 -10.838 1.00 0.00 H new ATOM 0 HG1 THR A 21 -22.861 11.572 -12.938 1.00 0.00 H new ATOM 0 HG21 THR A 21 -21.038 12.879 -10.859 1.00 0.00 H new ATOM 0 HG22 THR A 21 -21.031 11.765 -9.471 1.00 0.00 H new ATOM 0 HG23 THR A 21 -20.021 11.419 -10.895 1.00 0.00 H new ATOM 328 N LEU A 22 -23.723 8.597 -9.332 1.00 0.00 N ATOM 329 CA LEU A 22 -24.438 8.315 -8.040 1.00 0.00 C ATOM 330 C LEU A 22 -24.778 9.615 -7.302 1.00 0.00 C ATOM 331 O LEU A 22 -25.103 9.610 -6.131 1.00 0.00 O ATOM 332 CB LEU A 22 -23.470 7.445 -7.238 1.00 0.00 C ATOM 333 CG LEU A 22 -23.919 7.364 -5.778 1.00 0.00 C ATOM 334 CD1 LEU A 22 -25.413 7.035 -5.721 1.00 0.00 C ATOM 335 CD2 LEU A 22 -23.129 6.260 -5.069 1.00 0.00 C ATOM 0 H LEU A 22 -24.124 8.132 -10.146 1.00 0.00 H new ATOM 0 HA LEU A 22 -25.393 7.813 -8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -23.426 6.445 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.464 7.861 -7.294 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.739 8.320 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -25.733 6.977 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.977 7.815 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -25.594 6.078 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.445 6.198 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.315 5.306 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -22.064 6.490 -5.112 1.00 0.00 H new ATOM 347 N LYS A 23 -24.743 10.729 -7.980 1.00 0.00 N ATOM 348 CA LYS A 23 -25.105 12.009 -7.309 1.00 0.00 C ATOM 349 C LYS A 23 -26.628 12.139 -7.303 1.00 0.00 C ATOM 350 O LYS A 23 -27.245 12.277 -8.341 1.00 0.00 O ATOM 351 CB LYS A 23 -24.462 13.102 -8.164 1.00 0.00 C ATOM 352 CG LYS A 23 -25.007 14.468 -7.747 1.00 0.00 C ATOM 353 CD LYS A 23 -24.709 15.491 -8.845 1.00 0.00 C ATOM 354 CE LYS A 23 -23.393 16.206 -8.532 1.00 0.00 C ATOM 355 NZ LYS A 23 -22.539 15.983 -9.732 1.00 0.00 N ATOM 0 H LYS A 23 -24.481 10.809 -8.963 1.00 0.00 H new ATOM 0 HA LYS A 23 -24.763 12.070 -6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -23.379 13.080 -8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -24.671 12.923 -9.219 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -26.081 14.406 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.551 14.783 -6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -24.644 14.993 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -25.521 16.215 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.554 17.269 -8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.927 15.800 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.617 16.444 -9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.397 14.962 -9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -23.005 16.386 -10.570 1.00 0.00 H new ATOM 369 N GLY A 24 -27.254 12.053 -6.159 1.00 0.00 N ATOM 370 CA GLY A 24 -28.742 12.129 -6.142 1.00 0.00 C ATOM 371 C GLY A 24 -29.244 11.099 -7.153 1.00 0.00 C ATOM 372 O GLY A 24 -29.772 11.435 -8.195 1.00 0.00 O ATOM 0 H GLY A 24 -26.807 11.935 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -29.129 11.915 -5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -29.082 13.130 -6.408 1.00 0.00 H new ATOM 376 N HIS A 25 -29.023 9.844 -6.872 1.00 0.00 N ATOM 377 CA HIS A 25 -29.420 8.776 -7.832 1.00 0.00 C ATOM 378 C HIS A 25 -30.158 7.634 -7.125 1.00 0.00 C ATOM 379 O HIS A 25 -31.337 7.728 -6.844 1.00 0.00 O ATOM 380 CB HIS A 25 -28.072 8.308 -8.371 1.00 0.00 C ATOM 381 CG HIS A 25 -28.228 7.133 -9.291 1.00 0.00 C ATOM 382 ND1 HIS A 25 -28.879 7.229 -10.511 1.00 0.00 N ATOM 383 CD2 HIS A 25 -27.707 5.866 -9.246 1.00 0.00 C ATOM 384 CE1 HIS A 25 -28.704 6.057 -11.147 1.00 0.00 C ATOM 385 NE2 HIS A 25 -28.010 5.199 -10.411 1.00 0.00 N ATOM 0 H HIS A 25 -28.582 9.511 -6.014 1.00 0.00 H new ATOM 0 HA HIS A 25 -30.107 9.120 -8.605 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -27.587 9.127 -8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -27.420 8.037 -7.540 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -29.394 8.037 -10.861 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -27.144 5.454 -8.422 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -29.082 5.841 -12.135 1.00 0.00 H new ATOM 393 N LYS A 26 -29.480 6.551 -6.844 1.00 0.00 N ATOM 394 CA LYS A 26 -30.145 5.404 -6.171 1.00 0.00 C ATOM 395 C LYS A 26 -31.516 5.147 -6.804 1.00 0.00 C ATOM 396 O LYS A 26 -31.629 4.440 -7.786 1.00 0.00 O ATOM 397 CB LYS A 26 -30.287 5.827 -4.708 1.00 0.00 C ATOM 398 CG LYS A 26 -31.030 4.740 -3.929 1.00 0.00 C ATOM 399 CD LYS A 26 -30.664 4.834 -2.448 1.00 0.00 C ATOM 400 CE LYS A 26 -29.244 4.302 -2.240 1.00 0.00 C ATOM 401 NZ LYS A 26 -28.899 4.664 -0.838 1.00 0.00 N ATOM 0 H LYS A 26 -28.491 6.415 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.577 4.479 -6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.303 5.994 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.829 6.770 -4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -32.106 4.857 -4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.768 3.756 -4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -30.730 5.869 -2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -31.371 4.259 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -29.200 3.223 -2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -28.547 4.752 -2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -27.938 4.332 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -28.942 5.697 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -29.576 4.216 -0.187 1.00 0.00 H new ATOM 415 N ARG A 27 -32.559 5.716 -6.261 1.00 0.00 N ATOM 416 CA ARG A 27 -33.907 5.497 -6.855 1.00 0.00 C ATOM 417 C ARG A 27 -33.844 5.742 -8.363 1.00 0.00 C ATOM 418 O ARG A 27 -34.602 5.182 -9.130 1.00 0.00 O ATOM 419 CB ARG A 27 -34.816 6.526 -6.179 1.00 0.00 C ATOM 420 CG ARG A 27 -36.098 5.838 -5.704 1.00 0.00 C ATOM 421 CD ARG A 27 -35.788 4.960 -4.490 1.00 0.00 C ATOM 422 NE ARG A 27 -36.532 5.585 -3.361 1.00 0.00 N ATOM 423 CZ ARG A 27 -36.101 6.698 -2.833 1.00 0.00 C ATOM 424 NH1 ARG A 27 -34.822 6.890 -2.666 1.00 0.00 N ATOM 425 NH2 ARG A 27 -36.952 7.619 -2.469 1.00 0.00 N ATOM 0 H ARG A 27 -32.536 6.318 -5.438 1.00 0.00 H new ATOM 0 HA ARG A 27 -34.272 4.481 -6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -34.301 6.983 -5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -35.058 7.328 -6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -36.849 6.584 -5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -36.517 5.231 -6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -36.111 3.932 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -34.717 4.930 -4.288 1.00 0.00 H new ATOM 0 HE ARG A 27 -37.378 5.143 -3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -34.157 6.170 -2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -34.487 7.760 -2.253 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -37.953 7.468 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -36.616 8.489 -2.056 1.00 0.00 H new ATOM 439 N TYR A 28 -32.934 6.572 -8.790 1.00 0.00 N ATOM 440 CA TYR A 28 -32.799 6.860 -10.246 1.00 0.00 C ATOM 441 C TYR A 28 -31.926 5.795 -10.905 1.00 0.00 C ATOM 442 O TYR A 28 -31.502 5.936 -12.034 1.00 0.00 O ATOM 443 CB TYR A 28 -32.111 8.220 -10.312 1.00 0.00 C ATOM 444 CG TYR A 28 -33.057 9.282 -9.803 1.00 0.00 C ATOM 445 CD1 TYR A 28 -34.363 9.351 -10.303 1.00 0.00 C ATOM 446 CD2 TYR A 28 -32.630 10.197 -8.832 1.00 0.00 C ATOM 447 CE1 TYR A 28 -35.243 10.333 -9.832 1.00 0.00 C ATOM 448 CE2 TYR A 28 -33.511 11.180 -8.362 1.00 0.00 C ATOM 449 CZ TYR A 28 -34.817 11.247 -8.862 1.00 0.00 C ATOM 450 OH TYR A 28 -35.685 12.215 -8.398 1.00 0.00 O ATOM 0 H TYR A 28 -32.274 7.066 -8.190 1.00 0.00 H new ATOM 0 HA TYR A 28 -33.759 6.859 -10.763 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -31.201 8.210 -9.712 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -31.815 8.441 -11.337 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -34.692 8.646 -11.052 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -31.623 10.145 -8.446 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -36.251 10.385 -10.217 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -33.182 11.886 -7.614 1.00 0.00 H new ATOM 0 HH TYR A 28 -35.231 12.767 -7.727 1.00 0.00 H new ATOM 460 N CYS A 29 -31.643 4.736 -10.201 1.00 0.00 N ATOM 461 CA CYS A 29 -30.783 3.668 -10.778 1.00 0.00 C ATOM 462 C CYS A 29 -31.611 2.662 -11.570 1.00 0.00 C ATOM 463 O CYS A 29 -32.417 1.944 -11.016 1.00 0.00 O ATOM 464 CB CYS A 29 -30.161 2.965 -9.571 1.00 0.00 C ATOM 465 SG CYS A 29 -28.822 1.889 -10.137 1.00 0.00 S ATOM 0 H CYS A 29 -31.970 4.564 -9.250 1.00 0.00 H new ATOM 0 HA CYS A 29 -30.042 4.085 -11.460 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -29.778 3.701 -8.863 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -30.916 2.381 -9.046 1.00 0.00 H new ATOM 470 N LYS A 30 -31.394 2.561 -12.850 1.00 0.00 N ATOM 471 CA LYS A 30 -32.156 1.544 -13.626 1.00 0.00 C ATOM 472 C LYS A 30 -31.977 0.195 -12.930 1.00 0.00 C ATOM 473 O LYS A 30 -32.775 -0.711 -13.068 1.00 0.00 O ATOM 474 CB LYS A 30 -31.515 1.529 -15.014 1.00 0.00 C ATOM 475 CG LYS A 30 -32.525 1.004 -16.036 1.00 0.00 C ATOM 476 CD LYS A 30 -31.949 -0.227 -16.738 1.00 0.00 C ATOM 477 CE LYS A 30 -30.690 0.171 -17.511 1.00 0.00 C ATOM 478 NZ LYS A 30 -31.185 0.937 -18.690 1.00 0.00 N ATOM 0 H LYS A 30 -30.735 3.126 -13.385 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.223 1.757 -13.696 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.192 2.533 -15.288 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.626 0.899 -15.009 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -33.461 0.748 -15.539 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -32.754 1.779 -16.768 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -31.711 -0.999 -16.006 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -32.688 -0.650 -17.418 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -30.026 0.779 -16.897 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -30.123 -0.707 -17.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -30.487 0.880 -19.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -32.088 0.534 -19.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -31.326 1.932 -18.423 1.00 0.00 H new ATOM 492 N PHE A 31 -30.922 0.079 -12.169 1.00 0.00 N ATOM 493 CA PHE A 31 -30.634 -1.175 -11.422 1.00 0.00 C ATOM 494 C PHE A 31 -30.947 -0.951 -9.941 1.00 0.00 C ATOM 495 O PHE A 31 -30.483 -1.666 -9.075 1.00 0.00 O ATOM 496 CB PHE A 31 -29.134 -1.398 -11.648 1.00 0.00 C ATOM 497 CG PHE A 31 -28.854 -1.272 -13.124 1.00 0.00 C ATOM 498 CD1 PHE A 31 -28.686 -0.006 -13.696 1.00 0.00 C ATOM 499 CD2 PHE A 31 -28.778 -2.417 -13.923 1.00 0.00 C ATOM 500 CE1 PHE A 31 -28.438 0.116 -15.065 1.00 0.00 C ATOM 501 CE2 PHE A 31 -28.530 -2.297 -15.293 1.00 0.00 C ATOM 502 CZ PHE A 31 -28.360 -1.030 -15.866 1.00 0.00 C ATOM 0 H PHE A 31 -30.234 0.819 -12.032 1.00 0.00 H new ATOM 0 HA PHE A 31 -31.224 -2.033 -11.746 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -28.553 -0.666 -11.087 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -28.838 -2.383 -11.288 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -28.748 0.878 -13.078 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -28.911 -3.394 -13.482 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -28.306 1.093 -15.505 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -28.469 -3.181 -15.910 1.00 0.00 H new ATOM 0 HZ PHE A 31 -28.169 -0.937 -16.925 1.00 0.00 H new ATOM 512 N ARG A 32 -31.736 0.052 -9.653 1.00 0.00 N ATOM 513 CA ARG A 32 -32.095 0.357 -8.239 1.00 0.00 C ATOM 514 C ARG A 32 -32.568 -0.910 -7.532 1.00 0.00 C ATOM 515 O ARG A 32 -32.545 -1.009 -6.321 1.00 0.00 O ATOM 516 CB ARG A 32 -33.231 1.387 -8.323 1.00 0.00 C ATOM 517 CG ARG A 32 -34.526 0.723 -8.820 1.00 0.00 C ATOM 518 CD ARG A 32 -34.635 0.872 -10.340 1.00 0.00 C ATOM 519 NE ARG A 32 -35.962 0.295 -10.691 1.00 0.00 N ATOM 520 CZ ARG A 32 -36.043 -0.662 -11.576 1.00 0.00 C ATOM 521 NH1 ARG A 32 -35.294 -1.724 -11.457 1.00 0.00 N ATOM 522 NH2 ARG A 32 -36.871 -0.557 -12.578 1.00 0.00 N ATOM 0 H ARG A 32 -32.150 0.677 -10.345 1.00 0.00 H new ATOM 0 HA ARG A 32 -31.246 0.739 -7.672 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -33.398 1.834 -7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -32.948 2.195 -8.998 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -34.532 -0.332 -8.548 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -35.389 1.182 -8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -34.568 1.918 -10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -33.828 0.343 -10.847 1.00 0.00 H new ATOM 0 HE ARG A 32 -36.807 0.647 -10.241 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -34.646 -1.806 -10.673 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -35.356 -2.472 -12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -37.456 0.273 -12.671 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -36.933 -1.305 -13.269 1.00 0.00 H new ATOM 536 N TYR A 33 -33.005 -1.874 -8.285 1.00 0.00 N ATOM 537 CA TYR A 33 -33.494 -3.137 -7.669 1.00 0.00 C ATOM 538 C TYR A 33 -32.890 -4.348 -8.377 1.00 0.00 C ATOM 539 O TYR A 33 -33.181 -5.477 -8.041 1.00 0.00 O ATOM 540 CB TYR A 33 -35.009 -3.109 -7.860 1.00 0.00 C ATOM 541 CG TYR A 33 -35.575 -1.909 -7.144 1.00 0.00 C ATOM 542 CD1 TYR A 33 -35.098 -1.563 -5.874 1.00 0.00 C ATOM 543 CD2 TYR A 33 -36.571 -1.137 -7.753 1.00 0.00 C ATOM 544 CE1 TYR A 33 -35.619 -0.446 -5.212 1.00 0.00 C ATOM 545 CE2 TYR A 33 -37.092 -0.020 -7.090 1.00 0.00 C ATOM 546 CZ TYR A 33 -36.616 0.326 -5.820 1.00 0.00 C ATOM 547 OH TYR A 33 -37.128 1.428 -5.168 1.00 0.00 O ATOM 0 H TYR A 33 -33.046 -1.844 -9.304 1.00 0.00 H new ATOM 0 HA TYR A 33 -33.213 -3.215 -6.619 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -35.253 -3.063 -8.921 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -35.454 -4.024 -7.470 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -34.328 -2.158 -5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -36.937 -1.403 -8.734 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -35.252 -0.179 -4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -37.862 0.575 -7.559 1.00 0.00 H new ATOM 0 HH TYR A 33 -37.810 1.852 -5.729 1.00 0.00 H new ATOM 557 N CYS A 34 -32.048 -4.127 -9.353 1.00 0.00 N ATOM 558 CA CYS A 34 -31.433 -5.282 -10.064 1.00 0.00 C ATOM 559 C CYS A 34 -30.987 -6.330 -9.043 1.00 0.00 C ATOM 560 O CYS A 34 -30.944 -6.076 -7.856 1.00 0.00 O ATOM 561 CB CYS A 34 -30.215 -4.720 -10.797 1.00 0.00 C ATOM 562 SG CYS A 34 -29.488 -6.021 -11.816 1.00 0.00 S ATOM 0 H CYS A 34 -31.763 -3.205 -9.685 1.00 0.00 H new ATOM 0 HA CYS A 34 -32.132 -5.756 -10.753 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -30.508 -3.874 -11.419 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -29.482 -4.350 -10.080 1.00 0.00 H new ATOM 567 N THR A 35 -30.651 -7.501 -9.491 1.00 0.00 N ATOM 568 CA THR A 35 -30.209 -8.555 -8.538 1.00 0.00 C ATOM 569 C THR A 35 -29.062 -9.375 -9.134 1.00 0.00 C ATOM 570 O THR A 35 -28.591 -10.316 -8.527 1.00 0.00 O ATOM 571 CB THR A 35 -31.444 -9.432 -8.321 1.00 0.00 C ATOM 572 OG1 THR A 35 -32.169 -9.534 -9.538 1.00 0.00 O ATOM 573 CG2 THR A 35 -32.332 -8.808 -7.244 1.00 0.00 C ATOM 0 H THR A 35 -30.662 -7.777 -10.473 1.00 0.00 H new ATOM 0 HA THR A 35 -29.836 -8.134 -7.604 1.00 0.00 H new ATOM 0 HB THR A 35 -31.133 -10.426 -7.999 1.00 0.00 H new ATOM 0 HG1 THR A 35 -32.960 -10.097 -9.402 1.00 0.00 H new ATOM 0 HG21 THR A 35 -33.211 -9.433 -7.090 1.00 0.00 H new ATOM 0 HG22 THR A 35 -31.773 -8.732 -6.311 1.00 0.00 H new ATOM 0 HG23 THR A 35 -32.645 -7.814 -7.562 1.00 0.00 H new ATOM 581 N CYS A 36 -28.594 -9.029 -10.307 1.00 0.00 N ATOM 582 CA CYS A 36 -27.470 -9.805 -10.895 1.00 0.00 C ATOM 583 C CYS A 36 -26.397 -9.999 -9.813 1.00 0.00 C ATOM 584 O CYS A 36 -26.458 -9.389 -8.764 1.00 0.00 O ATOM 585 CB CYS A 36 -26.955 -8.969 -12.068 1.00 0.00 C ATOM 586 SG CYS A 36 -26.025 -7.554 -11.452 1.00 0.00 S ATOM 0 H CYS A 36 -28.938 -8.253 -10.873 1.00 0.00 H new ATOM 0 HA CYS A 36 -27.763 -10.795 -11.245 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -26.321 -9.580 -12.710 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -27.792 -8.628 -12.678 1.00 0.00 H new ATOM 591 N GLU A 37 -25.433 -10.848 -10.033 1.00 0.00 N ATOM 592 CA GLU A 37 -24.395 -11.074 -8.979 1.00 0.00 C ATOM 593 C GLU A 37 -23.366 -9.936 -8.949 1.00 0.00 C ATOM 594 O GLU A 37 -22.451 -9.942 -8.150 1.00 0.00 O ATOM 595 CB GLU A 37 -23.727 -12.394 -9.365 1.00 0.00 C ATOM 596 CG GLU A 37 -22.798 -12.165 -10.559 1.00 0.00 C ATOM 597 CD GLU A 37 -22.677 -13.459 -11.367 1.00 0.00 C ATOM 598 OE1 GLU A 37 -23.706 -14.004 -11.729 1.00 0.00 O ATOM 599 OE2 GLU A 37 -21.559 -13.880 -11.608 1.00 0.00 O ATOM 0 H GLU A 37 -25.316 -11.393 -10.887 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.835 -11.105 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -23.161 -12.788 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -24.484 -13.137 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -23.188 -11.366 -11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -21.815 -11.847 -10.213 1.00 0.00 H new ATOM 606 N LYS A 38 -23.518 -8.953 -9.788 1.00 0.00 N ATOM 607 CA LYS A 38 -22.554 -7.813 -9.784 1.00 0.00 C ATOM 608 C LYS A 38 -23.193 -6.635 -9.062 1.00 0.00 C ATOM 609 O LYS A 38 -22.532 -5.714 -8.623 1.00 0.00 O ATOM 610 CB LYS A 38 -22.311 -7.483 -11.257 1.00 0.00 C ATOM 611 CG LYS A 38 -20.829 -7.171 -11.472 1.00 0.00 C ATOM 612 CD LYS A 38 -20.039 -8.479 -11.543 1.00 0.00 C ATOM 613 CE LYS A 38 -18.538 -8.175 -11.516 1.00 0.00 C ATOM 614 NZ LYS A 38 -18.109 -8.225 -12.942 1.00 0.00 N ATOM 0 H LYS A 38 -24.267 -8.886 -10.478 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.618 -8.046 -9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.611 -8.323 -11.883 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.920 -6.630 -11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.696 -6.602 -12.392 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.455 -6.551 -10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.305 -9.122 -10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.294 -9.021 -12.454 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.341 -7.196 -11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.998 -8.907 -10.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.090 -8.026 -13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.302 -9.171 -13.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.635 -7.513 -13.488 1.00 0.00 H new ATOM 628 N CYS A 39 -24.484 -6.687 -8.910 1.00 0.00 N ATOM 629 CA CYS A 39 -25.204 -5.611 -8.195 1.00 0.00 C ATOM 630 C CYS A 39 -25.253 -5.993 -6.721 1.00 0.00 C ATOM 631 O CYS A 39 -25.059 -5.176 -5.841 1.00 0.00 O ATOM 632 CB CYS A 39 -26.602 -5.611 -8.798 1.00 0.00 C ATOM 633 SG CYS A 39 -26.742 -4.283 -10.015 1.00 0.00 S ATOM 0 H CYS A 39 -25.076 -7.442 -9.257 1.00 0.00 H new ATOM 0 HA CYS A 39 -24.739 -4.629 -8.283 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -26.805 -6.572 -9.270 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -27.347 -5.478 -8.013 1.00 0.00 H new ATOM 638 N ARG A 40 -25.479 -7.253 -6.451 1.00 0.00 N ATOM 639 CA ARG A 40 -25.499 -7.715 -5.042 1.00 0.00 C ATOM 640 C ARG A 40 -24.058 -7.764 -4.549 1.00 0.00 C ATOM 641 O ARG A 40 -23.761 -7.481 -3.405 1.00 0.00 O ATOM 642 CB ARG A 40 -26.120 -9.113 -5.075 1.00 0.00 C ATOM 643 CG ARG A 40 -27.585 -9.026 -4.648 1.00 0.00 C ATOM 644 CD ARG A 40 -28.430 -9.948 -5.530 1.00 0.00 C ATOM 645 NE ARG A 40 -29.271 -10.722 -4.577 1.00 0.00 N ATOM 646 CZ ARG A 40 -30.404 -11.233 -4.973 1.00 0.00 C ATOM 647 NH1 ARG A 40 -30.422 -12.392 -5.573 1.00 0.00 N ATOM 648 NH2 ARG A 40 -31.519 -10.586 -4.770 1.00 0.00 N ATOM 0 H ARG A 40 -25.650 -7.977 -7.149 1.00 0.00 H new ATOM 0 HA ARG A 40 -26.067 -7.064 -4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -26.046 -9.532 -6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -25.574 -9.781 -4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -27.687 -9.313 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -27.939 -7.999 -4.733 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -29.045 -9.376 -6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -27.802 -10.608 -6.129 1.00 0.00 H new ATOM 0 HE ARG A 40 -28.961 -10.853 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -29.550 -12.898 -5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -31.308 -12.792 -5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -31.505 -9.680 -4.301 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -32.405 -10.986 -5.080 1.00 0.00 H new ATOM 662 N LEU A 41 -23.156 -8.089 -5.436 1.00 0.00 N ATOM 663 CA LEU A 41 -21.715 -8.123 -5.066 1.00 0.00 C ATOM 664 C LEU A 41 -21.278 -6.699 -4.731 1.00 0.00 C ATOM 665 O LEU A 41 -20.422 -6.469 -3.900 1.00 0.00 O ATOM 666 CB LEU A 41 -21.004 -8.652 -6.320 1.00 0.00 C ATOM 667 CG LEU A 41 -19.573 -8.113 -6.397 1.00 0.00 C ATOM 668 CD1 LEU A 41 -18.900 -8.220 -5.027 1.00 0.00 C ATOM 669 CD2 LEU A 41 -18.779 -8.930 -7.418 1.00 0.00 C ATOM 0 H LEU A 41 -23.358 -8.333 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.491 -8.748 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.987 -9.742 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -21.558 -8.356 -7.211 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.599 -7.067 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -17.882 -7.835 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.464 -7.638 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.874 -9.264 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.759 -8.549 -7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.759 -9.976 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.252 -8.849 -8.396 1.00 0.00 H new ATOM 681 N THR A 42 -21.889 -5.745 -5.371 1.00 0.00 N ATOM 682 CA THR A 42 -21.556 -4.319 -5.107 1.00 0.00 C ATOM 683 C THR A 42 -21.973 -3.955 -3.686 1.00 0.00 C ATOM 684 O THR A 42 -21.155 -3.657 -2.840 1.00 0.00 O ATOM 685 CB THR A 42 -22.389 -3.543 -6.119 1.00 0.00 C ATOM 686 OG1 THR A 42 -21.793 -3.651 -7.406 1.00 0.00 O ATOM 687 CG2 THR A 42 -22.461 -2.074 -5.706 1.00 0.00 C ATOM 0 H THR A 42 -22.613 -5.893 -6.074 1.00 0.00 H new ATOM 0 HA THR A 42 -20.491 -4.105 -5.199 1.00 0.00 H new ATOM 0 HB THR A 42 -23.397 -3.956 -6.152 1.00 0.00 H new ATOM 0 HG1 THR A 42 -21.936 -4.554 -7.758 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.057 -1.521 -6.432 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.922 -1.995 -4.722 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.455 -1.656 -5.670 1.00 0.00 H new ATOM 695 N ALA A 43 -23.244 -3.995 -3.418 1.00 0.00 N ATOM 696 CA ALA A 43 -23.722 -3.672 -2.045 1.00 0.00 C ATOM 697 C ALA A 43 -22.859 -4.431 -1.042 1.00 0.00 C ATOM 698 O ALA A 43 -22.639 -3.997 0.071 1.00 0.00 O ATOM 699 CB ALA A 43 -25.170 -4.168 -2.001 1.00 0.00 C ATOM 0 H ALA A 43 -23.974 -4.237 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.662 -2.611 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -25.594 -3.966 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -25.755 -3.651 -2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -25.193 -5.241 -2.192 1.00 0.00 H new ATOM 705 N ASP A 44 -22.354 -5.561 -1.452 1.00 0.00 N ATOM 706 CA ASP A 44 -21.482 -6.371 -0.561 1.00 0.00 C ATOM 707 C ASP A 44 -20.081 -5.758 -0.531 1.00 0.00 C ATOM 708 O ASP A 44 -19.358 -5.866 0.440 1.00 0.00 O ATOM 709 CB ASP A 44 -21.450 -7.750 -1.219 1.00 0.00 C ATOM 710 CG ASP A 44 -20.824 -8.764 -0.259 1.00 0.00 C ATOM 711 OD1 ASP A 44 -20.920 -8.554 0.939 1.00 0.00 O ATOM 712 OD2 ASP A 44 -20.262 -9.734 -0.739 1.00 0.00 O ATOM 0 H ASP A 44 -22.511 -5.961 -2.377 1.00 0.00 H new ATOM 0 HA ASP A 44 -21.839 -6.415 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -22.461 -8.061 -1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -20.876 -7.709 -2.145 1.00 0.00 H new ATOM 717 N ARG A 45 -19.701 -5.112 -1.598 1.00 0.00 N ATOM 718 CA ARG A 45 -18.355 -4.479 -1.662 1.00 0.00 C ATOM 719 C ARG A 45 -18.367 -3.136 -0.926 1.00 0.00 C ATOM 720 O ARG A 45 -17.341 -2.641 -0.502 1.00 0.00 O ATOM 721 CB ARG A 45 -18.098 -4.266 -3.155 1.00 0.00 C ATOM 722 CG ARG A 45 -16.693 -4.756 -3.509 1.00 0.00 C ATOM 723 CD ARG A 45 -15.669 -4.067 -2.603 1.00 0.00 C ATOM 724 NE ARG A 45 -14.377 -4.743 -2.900 1.00 0.00 N ATOM 725 CZ ARG A 45 -13.255 -4.218 -2.490 1.00 0.00 C ATOM 726 NH1 ARG A 45 -12.909 -4.316 -1.236 1.00 0.00 N ATOM 727 NH2 ARG A 45 -12.480 -3.593 -3.333 1.00 0.00 N ATOM 0 H ARG A 45 -20.271 -4.995 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 45 -17.584 -5.091 -1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -18.841 -4.805 -3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -18.199 -3.210 -3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.632 -5.838 -3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.473 -4.540 -4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.613 -2.999 -2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.937 -4.173 -1.552 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.368 -5.618 -3.425 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.516 -4.803 -0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.032 -3.906 -0.915 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.751 -3.515 -4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.603 -3.183 -3.012 1.00 0.00 H new ATOM 741 N GLN A 46 -19.520 -2.543 -0.776 1.00 0.00 N ATOM 742 CA GLN A 46 -19.599 -1.229 -0.071 1.00 0.00 C ATOM 743 C GLN A 46 -19.816 -1.440 1.430 1.00 0.00 C ATOM 744 O GLN A 46 -20.123 -0.517 2.158 1.00 0.00 O ATOM 745 CB GLN A 46 -20.803 -0.520 -0.692 1.00 0.00 C ATOM 746 CG GLN A 46 -21.125 0.742 0.112 1.00 0.00 C ATOM 747 CD GLN A 46 -22.303 0.467 1.050 1.00 0.00 C ATOM 748 OE1 GLN A 46 -23.332 -0.020 0.626 1.00 0.00 O ATOM 749 NE2 GLN A 46 -22.195 0.764 2.317 1.00 0.00 N ATOM 0 H GLN A 46 -20.411 -2.910 -1.110 1.00 0.00 H new ATOM 0 HA GLN A 46 -18.682 -0.649 -0.178 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -20.589 -0.259 -1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -21.665 -1.187 -0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -20.253 1.051 0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -21.368 1.563 -0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -21.331 1.173 2.673 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -22.975 0.587 2.951 1.00 0.00 H new ATOM 758 N ARG A 47 -19.659 -2.648 1.901 1.00 0.00 N ATOM 759 CA ARG A 47 -19.856 -2.910 3.356 1.00 0.00 C ATOM 760 C ARG A 47 -18.701 -2.308 4.159 1.00 0.00 C ATOM 761 O ARG A 47 -17.649 -2.901 4.290 1.00 0.00 O ATOM 762 CB ARG A 47 -19.867 -4.432 3.489 1.00 0.00 C ATOM 763 CG ARG A 47 -20.924 -4.848 4.512 1.00 0.00 C ATOM 764 CD ARG A 47 -22.283 -4.970 3.819 1.00 0.00 C ATOM 765 NE ARG A 47 -23.241 -5.293 4.914 1.00 0.00 N ATOM 766 CZ ARG A 47 -24.463 -5.649 4.626 1.00 0.00 C ATOM 767 NH1 ARG A 47 -24.701 -6.837 4.143 1.00 0.00 N ATOM 768 NH2 ARG A 47 -25.448 -4.816 4.824 1.00 0.00 N ATOM 0 H ARG A 47 -19.404 -3.463 1.343 1.00 0.00 H new ATOM 0 HA ARG A 47 -20.775 -2.464 3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.080 -4.890 2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.885 -4.787 3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -20.650 -5.799 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.978 -4.113 5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -22.555 -4.042 3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -22.271 -5.752 3.060 1.00 0.00 H new ATOM 0 HE ARG A 47 -22.942 -5.236 5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -23.932 -7.489 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -25.657 -7.114 3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -25.262 -3.888 5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -26.403 -5.093 4.599 1.00 0.00 H new ATOM 782 N VAL A 48 -18.887 -1.133 4.693 1.00 0.00 N ATOM 783 CA VAL A 48 -17.799 -0.491 5.485 1.00 0.00 C ATOM 784 C VAL A 48 -18.079 -0.637 6.982 1.00 0.00 C ATOM 785 O VAL A 48 -18.200 0.337 7.698 1.00 0.00 O ATOM 786 CB VAL A 48 -17.830 0.981 5.073 1.00 0.00 C ATOM 787 CG1 VAL A 48 -19.252 1.525 5.228 1.00 0.00 C ATOM 788 CG2 VAL A 48 -16.877 1.779 5.967 1.00 0.00 C ATOM 0 H VAL A 48 -19.746 -0.588 4.615 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.826 -0.946 5.300 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.518 1.075 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.274 2.574 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -19.931 0.956 4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.566 1.433 6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.898 2.829 5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -17.190 1.685 7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.864 1.391 5.856 1.00 0.00 H new ATOM 798 N MET A 49 -18.183 -1.845 7.460 1.00 0.00 N ATOM 799 CA MET A 49 -18.456 -2.051 8.912 1.00 0.00 C ATOM 800 C MET A 49 -17.162 -1.911 9.719 1.00 0.00 C ATOM 801 O MET A 49 -16.350 -2.814 9.771 1.00 0.00 O ATOM 802 CB MET A 49 -19.001 -3.476 9.016 1.00 0.00 C ATOM 803 CG MET A 49 -20.172 -3.648 8.047 1.00 0.00 C ATOM 804 SD MET A 49 -21.700 -3.898 8.984 1.00 0.00 S ATOM 805 CE MET A 49 -22.568 -2.418 8.407 1.00 0.00 C ATOM 0 H MET A 49 -18.091 -2.699 6.910 1.00 0.00 H new ATOM 0 HA MET A 49 -19.158 -1.317 9.308 1.00 0.00 H new ATOM 0 HB2 MET A 49 -18.215 -4.195 8.784 1.00 0.00 H new ATOM 0 HB3 MET A 49 -19.327 -3.678 10.036 1.00 0.00 H new ATOM 0 HG2 MET A 49 -20.263 -2.768 7.410 1.00 0.00 H new ATOM 0 HG3 MET A 49 -19.992 -4.499 7.390 1.00 0.00 H new ATOM 0 HE1 MET A 49 -23.554 -2.371 8.869 1.00 0.00 H new ATOM 0 HE2 MET A 49 -21.996 -1.531 8.681 1.00 0.00 H new ATOM 0 HE3 MET A 49 -22.677 -2.459 7.323 1.00 0.00 H new ATOM 815 N ALA A 50 -16.965 -0.785 10.350 1.00 0.00 N ATOM 816 CA ALA A 50 -15.725 -0.589 11.155 1.00 0.00 C ATOM 817 C ALA A 50 -15.870 -1.271 12.517 1.00 0.00 C ATOM 818 O ALA A 50 -16.091 -0.628 13.524 1.00 0.00 O ATOM 819 CB ALA A 50 -15.596 0.925 11.322 1.00 0.00 C ATOM 0 H ALA A 50 -17.608 0.007 10.343 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.846 -1.020 10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.704 1.152 11.906 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.517 1.394 10.341 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.475 1.310 11.838 1.00 0.00 H new ATOM 825 N LEU A 51 -15.749 -2.570 12.557 1.00 0.00 N ATOM 826 CA LEU A 51 -15.881 -3.291 13.856 1.00 0.00 C ATOM 827 C LEU A 51 -14.783 -4.350 13.990 1.00 0.00 C ATOM 828 O LEU A 51 -15.017 -5.528 13.808 1.00 0.00 O ATOM 829 CB LEU A 51 -17.260 -3.951 13.803 1.00 0.00 C ATOM 830 CG LEU A 51 -17.938 -3.831 15.169 1.00 0.00 C ATOM 831 CD1 LEU A 51 -19.392 -3.393 14.984 1.00 0.00 C ATOM 832 CD2 LEU A 51 -17.905 -5.189 15.875 1.00 0.00 C ATOM 0 H LEU A 51 -15.565 -3.163 11.748 1.00 0.00 H new ATOM 0 HA LEU A 51 -15.781 -2.622 14.711 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -17.873 -3.475 13.038 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.162 -5.000 13.525 1.00 0.00 H new ATOM 0 HG LEU A 51 -17.409 -3.092 15.771 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -19.873 -3.308 15.958 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -19.420 -2.427 14.480 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -19.921 -4.132 14.381 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -18.388 -5.105 16.849 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -18.433 -5.926 15.271 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -16.870 -5.504 16.009 1.00 0.00 H new ATOM 844 N GLN A 52 -13.586 -3.938 14.306 1.00 0.00 N ATOM 845 CA GLN A 52 -12.474 -4.920 14.452 1.00 0.00 C ATOM 846 C GLN A 52 -11.898 -4.860 15.869 1.00 0.00 C ATOM 847 O GLN A 52 -10.744 -5.221 16.034 1.00 0.00 O ATOM 848 CB GLN A 52 -11.426 -4.484 13.425 1.00 0.00 C ATOM 849 CG GLN A 52 -10.566 -5.686 13.028 1.00 0.00 C ATOM 850 CD GLN A 52 -9.739 -5.336 11.791 1.00 0.00 C ATOM 851 OE1 GLN A 52 -10.007 -4.356 11.123 1.00 0.00 O ATOM 852 NE2 GLN A 52 -8.735 -6.100 11.455 1.00 0.00 N ATOM 853 OXT GLN A 52 -12.621 -4.454 16.765 1.00 0.00 O ATOM 0 H GLN A 52 -13.330 -2.964 14.469 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.803 -5.946 14.288 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.916 -4.068 12.545 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.798 -3.697 13.843 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.908 -5.964 13.852 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.200 -6.548 12.822 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.510 -6.922 12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.176 -5.875 10.632 1.00 0.00 H new TER 862 GLN A 52 HETATM 863 ZN ZN A 53 -27.236 -5.659 -11.747 1.00 0.00 ZN HETATM 864 ZN ZN A 54 -27.090 3.345 -10.406 1.00 0.00 ZN