USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 10 SER OG : rot 0:sc= 0.603 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.762 K(o=-0.76,f=-4.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -69:sc= 0.354 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -3.4 K(o=-3.4,f=-5.6!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 149:sc=-0.00599 (180deg=-0.751) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.790 -25.647 -23.430 1.00 0.00 N ATOM 2 CA GLY A 1 -33.362 -25.505 -23.217 1.00 0.00 C ATOM 3 C GLY A 1 -32.958 -24.072 -22.930 1.00 0.00 C ATOM 4 O GLY A 1 -32.450 -23.375 -23.808 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.015 -26.644 -23.622 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.301 -25.335 -22.580 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.080 -25.064 -24.241 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.057 -26.139 -22.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.829 -25.860 -24.099 1.00 0.00 H new ATOM 8 N SER A 2 -33.187 -23.631 -21.697 1.00 0.00 N ATOM 9 CA SER A 2 -32.849 -22.270 -21.298 1.00 0.00 C ATOM 10 C SER A 2 -31.519 -22.237 -20.552 1.00 0.00 C ATOM 11 O SER A 2 -31.122 -23.219 -19.926 1.00 0.00 O ATOM 12 CB SER A 2 -33.955 -21.684 -20.418 1.00 0.00 C ATOM 13 OG SER A 2 -34.188 -22.499 -19.282 1.00 0.00 O ATOM 0 H SER A 2 -33.605 -24.196 -20.958 1.00 0.00 H new ATOM 0 HA SER A 2 -32.755 -21.666 -22.201 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.676 -20.680 -20.098 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.874 -21.590 -20.997 1.00 0.00 H new ATOM 0 HG SER A 2 -34.898 -22.102 -18.735 1.00 0.00 H new ATOM 19 N SER A 3 -30.835 -21.099 -20.623 1.00 0.00 N ATOM 20 CA SER A 3 -29.548 -20.938 -19.958 1.00 0.00 C ATOM 21 C SER A 3 -29.560 -21.598 -18.583 1.00 0.00 C ATOM 22 O SER A 3 -28.568 -22.187 -18.155 1.00 0.00 O ATOM 23 CB SER A 3 -29.203 -19.454 -19.821 1.00 0.00 C ATOM 24 OG SER A 3 -30.334 -18.703 -19.416 1.00 0.00 O ATOM 0 H SER A 3 -31.151 -20.275 -21.135 1.00 0.00 H new ATOM 0 HA SER A 3 -28.788 -21.426 -20.569 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.401 -19.330 -19.094 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.832 -19.074 -20.773 1.00 0.00 H new ATOM 0 HG SER A 3 -30.087 -17.758 -19.334 1.00 0.00 H new ATOM 30 N GLY A 4 -30.693 -21.495 -17.894 1.00 0.00 N ATOM 31 CA GLY A 4 -30.815 -22.085 -16.574 1.00 0.00 C ATOM 32 C GLY A 4 -30.914 -21.042 -15.479 1.00 0.00 C ATOM 33 O GLY A 4 -31.016 -19.847 -15.758 1.00 0.00 O ATOM 0 H GLY A 4 -31.528 -21.013 -18.227 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.699 -22.723 -16.545 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.953 -22.725 -16.385 1.00 0.00 H new ATOM 37 N SER A 5 -30.887 -21.494 -14.229 1.00 0.00 N ATOM 38 CA SER A 5 -30.980 -20.591 -13.088 1.00 0.00 C ATOM 39 C SER A 5 -30.143 -19.336 -13.318 1.00 0.00 C ATOM 40 O SER A 5 -28.931 -19.413 -13.519 1.00 0.00 O ATOM 41 CB SER A 5 -30.519 -21.298 -11.812 1.00 0.00 C ATOM 42 OG SER A 5 -30.680 -20.463 -10.679 1.00 0.00 O ATOM 0 H SER A 5 -30.802 -22.480 -13.981 1.00 0.00 H new ATOM 0 HA SER A 5 -32.023 -20.295 -12.975 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.090 -22.216 -11.675 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.472 -21.585 -11.910 1.00 0.00 H new ATOM 0 HG SER A 5 -30.380 -20.939 -9.877 1.00 0.00 H new ATOM 48 N SER A 6 -30.800 -18.181 -13.287 1.00 0.00 N ATOM 49 CA SER A 6 -30.119 -16.908 -13.496 1.00 0.00 C ATOM 50 C SER A 6 -30.673 -15.836 -12.563 1.00 0.00 C ATOM 51 O SER A 6 -31.823 -15.905 -12.132 1.00 0.00 O ATOM 52 CB SER A 6 -30.266 -16.460 -14.951 1.00 0.00 C ATOM 53 OG SER A 6 -31.605 -16.096 -15.240 1.00 0.00 O ATOM 0 H SER A 6 -31.803 -18.100 -13.119 1.00 0.00 H new ATOM 0 HA SER A 6 -29.062 -17.048 -13.272 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.606 -15.614 -15.143 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.953 -17.265 -15.616 1.00 0.00 H new ATOM 0 HG SER A 6 -31.672 -15.812 -16.175 1.00 0.00 H new ATOM 59 N GLY A 7 -29.844 -14.843 -12.254 1.00 0.00 N ATOM 60 CA GLY A 7 -30.267 -13.770 -11.374 1.00 0.00 C ATOM 61 C GLY A 7 -29.358 -13.613 -10.171 1.00 0.00 C ATOM 62 O GLY A 7 -29.476 -14.355 -9.196 1.00 0.00 O ATOM 0 H GLY A 7 -28.887 -14.763 -12.598 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.290 -12.834 -11.932 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -31.284 -13.963 -11.034 1.00 0.00 H new ATOM 66 N GLN A 8 -28.448 -12.647 -10.241 1.00 0.00 N ATOM 67 CA GLN A 8 -27.513 -12.398 -9.150 1.00 0.00 C ATOM 68 C GLN A 8 -27.611 -10.955 -8.667 1.00 0.00 C ATOM 69 O GLN A 8 -27.047 -10.036 -9.262 1.00 0.00 O ATOM 70 CB GLN A 8 -26.082 -12.703 -9.597 1.00 0.00 C ATOM 71 CG GLN A 8 -25.693 -14.164 -9.439 1.00 0.00 C ATOM 72 CD GLN A 8 -24.563 -14.570 -10.364 1.00 0.00 C ATOM 73 OE1 GLN A 8 -24.690 -14.497 -11.587 1.00 0.00 O ATOM 74 NE2 GLN A 8 -23.449 -15.002 -9.785 1.00 0.00 N ATOM 0 H GLN A 8 -28.338 -12.024 -11.041 1.00 0.00 H new ATOM 0 HA GLN A 8 -27.776 -13.057 -8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -25.968 -12.416 -10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -25.391 -12.087 -9.021 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -25.396 -14.347 -8.406 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -26.562 -14.791 -9.637 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -23.387 -15.046 -8.768 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -22.655 -15.290 -10.357 1.00 0.00 H new ATOM 83 N PRO A 9 -28.345 -10.748 -7.564 1.00 0.00 N ATOM 84 CA PRO A 9 -28.535 -9.418 -6.977 1.00 0.00 C ATOM 85 C PRO A 9 -27.257 -8.875 -6.348 1.00 0.00 C ATOM 86 O PRO A 9 -26.314 -9.623 -6.088 1.00 0.00 O ATOM 87 CB PRO A 9 -29.601 -9.653 -5.904 1.00 0.00 C ATOM 88 CG PRO A 9 -29.466 -11.092 -5.544 1.00 0.00 C ATOM 89 CD PRO A 9 -29.046 -11.797 -6.804 1.00 0.00 C ATOM 0 HA PRO A 9 -28.820 -8.679 -7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -29.439 -9.011 -5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -30.599 -9.432 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -28.726 -11.229 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -30.409 -11.491 -5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -28.393 -12.644 -6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -29.904 -12.185 -7.353 1.00 0.00 H new ATOM 97 N SER A 10 -27.232 -7.569 -6.104 1.00 0.00 N ATOM 98 CA SER A 10 -26.067 -6.924 -5.508 1.00 0.00 C ATOM 99 C SER A 10 -24.780 -7.420 -6.158 1.00 0.00 C ATOM 100 O SER A 10 -23.841 -7.851 -5.488 1.00 0.00 O ATOM 101 CB SER A 10 -26.026 -7.191 -4.002 1.00 0.00 C ATOM 102 OG SER A 10 -25.726 -8.549 -3.732 1.00 0.00 O ATOM 0 H SER A 10 -28.005 -6.936 -6.310 1.00 0.00 H new ATOM 0 HA SER A 10 -26.149 -5.851 -5.678 1.00 0.00 H new ATOM 0 HB2 SER A 10 -25.277 -6.551 -3.536 1.00 0.00 H new ATOM 0 HB3 SER A 10 -26.987 -6.932 -3.558 1.00 0.00 H new ATOM 0 HG SER A 10 -25.603 -9.031 -4.576 1.00 0.00 H new ATOM 108 N PRO A 11 -24.733 -7.357 -7.498 1.00 0.00 N ATOM 109 CA PRO A 11 -23.566 -7.795 -8.270 1.00 0.00 C ATOM 110 C PRO A 11 -22.369 -6.868 -8.087 1.00 0.00 C ATOM 111 O PRO A 11 -22.505 -5.646 -8.009 1.00 0.00 O ATOM 112 CB PRO A 11 -24.061 -7.749 -9.718 1.00 0.00 C ATOM 113 CG PRO A 11 -25.160 -6.743 -9.710 1.00 0.00 C ATOM 114 CD PRO A 11 -25.815 -6.855 -8.361 1.00 0.00 C ATOM 0 HA PRO A 11 -23.215 -8.778 -7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -23.263 -7.458 -10.400 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.420 -8.725 -10.045 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -24.770 -5.738 -9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -25.875 -6.940 -10.509 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -26.191 -5.892 -8.015 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.663 -7.539 -8.382 1.00 0.00 H new ATOM 122 N PRO A 12 -21.167 -7.458 -8.017 1.00 0.00 N ATOM 123 CA PRO A 12 -19.922 -6.703 -7.843 1.00 0.00 C ATOM 124 C PRO A 12 -19.560 -5.891 -9.082 1.00 0.00 C ATOM 125 O PRO A 12 -18.794 -6.346 -9.931 1.00 0.00 O ATOM 126 CB PRO A 12 -18.878 -7.794 -7.594 1.00 0.00 C ATOM 127 CG PRO A 12 -19.437 -9.010 -8.247 1.00 0.00 C ATOM 128 CD PRO A 12 -20.930 -8.909 -8.102 1.00 0.00 C ATOM 0 HA PRO A 12 -19.996 -5.973 -7.037 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.913 -7.523 -8.022 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.720 -7.955 -6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.149 -9.056 -9.297 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -19.059 -9.916 -7.773 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -21.447 -9.351 -8.953 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -21.283 -9.427 -7.210 1.00 0.00 H new ATOM 136 N GLN A 13 -20.114 -4.687 -9.177 1.00 0.00 N ATOM 137 CA GLN A 13 -19.848 -3.812 -10.313 1.00 0.00 C ATOM 138 C GLN A 13 -18.376 -3.415 -10.361 1.00 0.00 C ATOM 139 O GLN A 13 -17.614 -3.921 -11.184 1.00 0.00 O ATOM 140 CB GLN A 13 -20.724 -2.560 -10.235 1.00 0.00 C ATOM 141 CG GLN A 13 -22.214 -2.860 -10.219 1.00 0.00 C ATOM 142 CD GLN A 13 -23.050 -1.648 -9.860 1.00 0.00 C ATOM 143 OE1 GLN A 13 -22.883 -0.572 -10.435 1.00 0.00 O ATOM 144 NE2 GLN A 13 -23.957 -1.815 -8.904 1.00 0.00 N ATOM 0 H GLN A 13 -20.749 -4.295 -8.482 1.00 0.00 H new ATOM 0 HA GLN A 13 -20.088 -4.359 -11.225 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -20.465 -2.001 -9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -20.500 -1.917 -11.086 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -22.517 -3.228 -11.199 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -22.412 -3.658 -9.504 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -24.062 -2.724 -8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -24.549 -1.034 -8.620 1.00 0.00 H new ATOM 153 N ARG A 14 -17.984 -2.506 -9.474 1.00 0.00 N ATOM 154 CA ARG A 14 -16.604 -2.039 -9.417 1.00 0.00 C ATOM 155 C ARG A 14 -16.107 -1.989 -7.975 1.00 0.00 C ATOM 156 O ARG A 14 -15.653 -0.954 -7.485 1.00 0.00 O ATOM 157 CB ARG A 14 -16.484 -0.656 -10.058 1.00 0.00 C ATOM 158 CG ARG A 14 -15.060 -0.282 -10.437 1.00 0.00 C ATOM 159 CD ARG A 14 -15.031 0.892 -11.403 1.00 0.00 C ATOM 160 NE ARG A 14 -15.740 0.597 -12.645 1.00 0.00 N ATOM 161 CZ ARG A 14 -15.187 -0.032 -13.676 1.00 0.00 C ATOM 162 NH1 ARG A 14 -13.924 -0.430 -13.614 1.00 0.00 N ATOM 163 NH2 ARG A 14 -15.898 -0.265 -14.772 1.00 0.00 N ATOM 0 H ARG A 14 -18.603 -2.078 -8.785 1.00 0.00 H new ATOM 0 HA ARG A 14 -15.985 -2.743 -9.973 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -17.109 -0.623 -10.950 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.875 0.091 -9.367 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.498 -0.029 -9.538 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.566 -1.141 -10.891 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -15.480 1.764 -10.927 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.996 1.150 -11.629 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.714 0.890 -12.725 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -13.374 -0.253 -12.773 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.502 -0.913 -14.407 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -16.870 0.039 -14.823 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -15.472 -0.748 -15.563 1.00 0.00 H new ATOM 177 N PRO A 15 -16.194 -3.131 -7.278 1.00 0.00 N ATOM 178 CA PRO A 15 -15.758 -3.243 -5.883 1.00 0.00 C ATOM 179 C PRO A 15 -14.243 -3.158 -5.741 1.00 0.00 C ATOM 180 O PRO A 15 -13.516 -4.030 -6.214 1.00 0.00 O ATOM 181 CB PRO A 15 -16.258 -4.628 -5.465 1.00 0.00 C ATOM 182 CG PRO A 15 -16.347 -5.398 -6.737 1.00 0.00 C ATOM 183 CD PRO A 15 -16.725 -4.402 -7.798 1.00 0.00 C ATOM 0 HA PRO A 15 -16.147 -2.431 -5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -15.572 -5.101 -4.763 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -17.228 -4.566 -4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -15.396 -5.876 -6.971 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -17.092 -6.190 -6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -16.286 -4.656 -8.763 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -17.805 -4.358 -7.941 1.00 0.00 H new ATOM 191 N ASN A 16 -13.773 -2.101 -5.086 1.00 0.00 N ATOM 192 CA ASN A 16 -12.342 -1.902 -4.882 1.00 0.00 C ATOM 193 C ASN A 16 -11.839 -2.737 -3.708 1.00 0.00 C ATOM 194 O ASN A 16 -12.294 -2.573 -2.576 1.00 0.00 O ATOM 195 CB ASN A 16 -12.042 -0.422 -4.635 1.00 0.00 C ATOM 196 CG ASN A 16 -12.479 0.457 -5.791 1.00 0.00 C ATOM 197 OD1 ASN A 16 -13.485 0.186 -6.446 1.00 0.00 O ATOM 198 ND2 ASN A 16 -11.721 1.517 -6.047 1.00 0.00 N ATOM 0 H ASN A 16 -14.362 -1.369 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.823 -2.226 -5.784 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -12.547 -0.099 -3.725 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.972 -0.294 -4.469 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.964 2.145 -6.813 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.895 1.703 -5.478 1.00 0.00 H new ATOM 205 N ARG A 17 -10.897 -3.633 -3.987 1.00 0.00 N ATOM 206 CA ARG A 17 -10.333 -4.494 -2.955 1.00 0.00 C ATOM 207 C ARG A 17 -8.851 -4.193 -2.747 1.00 0.00 C ATOM 208 O ARG A 17 -8.090 -4.073 -3.708 1.00 0.00 O ATOM 209 CB ARG A 17 -10.518 -5.965 -3.331 1.00 0.00 C ATOM 210 CG ARG A 17 -11.807 -6.571 -2.801 1.00 0.00 C ATOM 211 CD ARG A 17 -11.820 -8.083 -2.965 1.00 0.00 C ATOM 212 NE ARG A 17 -11.942 -8.481 -4.365 1.00 0.00 N ATOM 213 CZ ARG A 17 -11.524 -9.651 -4.835 1.00 0.00 C ATOM 214 NH1 ARG A 17 -10.960 -10.533 -4.022 1.00 0.00 N ATOM 215 NH2 ARG A 17 -11.669 -9.940 -6.122 1.00 0.00 N ATOM 0 H ARG A 17 -10.509 -3.781 -4.919 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.861 -4.296 -2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.502 -6.059 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.673 -6.538 -2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.923 -6.317 -1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.657 -6.139 -3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.904 -8.501 -2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.649 -8.502 -2.395 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.372 -7.825 -5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.846 -10.314 -3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.640 -11.431 -4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.102 -9.264 -6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.348 -10.839 -6.482 1.00 0.00 H new ATOM 229 N CYS A 18 -8.448 -4.073 -1.487 1.00 0.00 N ATOM 230 CA CYS A 18 -7.059 -3.786 -1.152 1.00 0.00 C ATOM 231 C CYS A 18 -6.122 -4.804 -1.796 1.00 0.00 C ATOM 232 O CYS A 18 -6.308 -6.014 -1.653 1.00 0.00 O ATOM 233 CB CYS A 18 -6.867 -3.790 0.366 1.00 0.00 C ATOM 234 SG CYS A 18 -5.212 -3.257 0.908 1.00 0.00 S ATOM 0 H CYS A 18 -9.065 -4.170 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.815 -2.797 -1.540 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.613 -3.136 0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.054 -4.796 0.742 1.00 0.00 H new ATOM 239 N THR A 19 -5.114 -4.307 -2.505 1.00 0.00 N ATOM 240 CA THR A 19 -4.149 -5.172 -3.172 1.00 0.00 C ATOM 241 C THR A 19 -3.155 -5.757 -2.175 1.00 0.00 C ATOM 242 O THR A 19 -2.162 -6.374 -2.563 1.00 0.00 O ATOM 243 CB THR A 19 -3.374 -4.412 -4.265 1.00 0.00 C ATOM 244 OG1 THR A 19 -4.288 -3.702 -5.109 1.00 0.00 O ATOM 245 CG2 THR A 19 -2.541 -5.369 -5.103 1.00 0.00 C ATOM 0 H THR A 19 -4.944 -3.309 -2.632 1.00 0.00 H new ATOM 0 HA THR A 19 -4.716 -5.980 -3.634 1.00 0.00 H new ATOM 0 HB THR A 19 -2.704 -3.704 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.788 -3.220 -5.800 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.003 -4.809 -5.868 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.827 -5.886 -4.462 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.195 -6.099 -5.580 1.00 0.00 H new ATOM 253 N VAL A 20 -3.428 -5.561 -0.889 1.00 0.00 N ATOM 254 CA VAL A 20 -2.558 -6.072 0.164 1.00 0.00 C ATOM 255 C VAL A 20 -3.302 -7.050 1.065 1.00 0.00 C ATOM 256 O VAL A 20 -2.786 -8.115 1.405 1.00 0.00 O ATOM 257 CB VAL A 20 -1.988 -4.929 1.025 1.00 0.00 C ATOM 258 CG1 VAL A 20 -1.209 -5.487 2.206 1.00 0.00 C ATOM 259 CG2 VAL A 20 -1.112 -4.013 0.182 1.00 0.00 C ATOM 0 H VAL A 20 -4.245 -5.052 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.736 -6.590 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.819 -4.341 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.814 -4.665 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.869 -6.097 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.384 -6.099 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.718 -3.211 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.285 -4.586 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.705 -3.585 -0.626 1.00 0.00 H new ATOM 269 N CYS A 21 -4.520 -6.682 1.450 1.00 0.00 N ATOM 270 CA CYS A 21 -5.337 -7.526 2.313 1.00 0.00 C ATOM 271 C CYS A 21 -6.703 -7.785 1.684 1.00 0.00 C ATOM 272 O CYS A 21 -7.486 -8.593 2.186 1.00 0.00 O ATOM 273 CB CYS A 21 -5.511 -6.872 3.685 1.00 0.00 C ATOM 274 SG CYS A 21 -6.483 -5.332 3.658 1.00 0.00 S ATOM 0 H CYS A 21 -4.963 -5.804 1.177 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.825 -8.481 2.436 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.995 -7.582 4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.526 -6.660 4.102 1.00 0.00 H new ATOM 279 N ARG A 22 -6.983 -7.094 0.584 1.00 0.00 N ATOM 280 CA ARG A 22 -8.254 -7.248 -0.113 1.00 0.00 C ATOM 281 C ARG A 22 -9.426 -7.070 0.848 1.00 0.00 C ATOM 282 O ARG A 22 -10.289 -7.941 0.960 1.00 0.00 O ATOM 283 CB ARG A 22 -8.331 -8.623 -0.779 1.00 0.00 C ATOM 284 CG ARG A 22 -7.171 -8.911 -1.718 1.00 0.00 C ATOM 285 CD ARG A 22 -5.932 -9.351 -0.955 1.00 0.00 C ATOM 286 NE ARG A 22 -4.976 -10.043 -1.815 1.00 0.00 N ATOM 287 CZ ARG A 22 -5.140 -11.291 -2.241 1.00 0.00 C ATOM 288 NH1 ARG A 22 -6.218 -11.979 -1.889 1.00 0.00 N ATOM 289 NH2 ARG A 22 -4.226 -11.852 -3.021 1.00 0.00 N ATOM 0 H ARG A 22 -6.346 -6.422 0.156 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.315 -6.476 -0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.361 -9.391 -0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.265 -8.696 -1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.459 -9.688 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.943 -8.018 -2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.453 -8.480 -0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.225 -10.008 -0.136 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.137 -9.541 -2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.924 -11.550 -1.290 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.341 -12.937 -2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.396 -11.326 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.353 -12.810 -3.347 1.00 0.00 H new ATOM 303 N LYS A 23 -9.449 -5.937 1.541 1.00 0.00 N ATOM 304 CA LYS A 23 -10.514 -5.642 2.492 1.00 0.00 C ATOM 305 C LYS A 23 -11.634 -4.848 1.827 1.00 0.00 C ATOM 306 O LYS A 23 -12.222 -3.956 2.438 1.00 0.00 O ATOM 307 CB LYS A 23 -9.959 -4.861 3.685 1.00 0.00 C ATOM 308 CG LYS A 23 -9.585 -3.427 3.352 1.00 0.00 C ATOM 309 CD LYS A 23 -9.778 -2.509 4.547 1.00 0.00 C ATOM 310 CE LYS A 23 -11.252 -2.261 4.828 1.00 0.00 C ATOM 311 NZ LYS A 23 -11.491 -1.892 6.251 1.00 0.00 N ATOM 0 H LYS A 23 -8.741 -5.207 1.462 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.924 -6.588 2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.701 -4.858 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.079 -5.377 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.546 -3.387 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.194 -3.075 2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.308 -2.951 5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.277 -1.559 4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.616 -1.464 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.824 -3.156 4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.507 -1.731 6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.167 -2.663 6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.966 -1.023 6.477 1.00 0.00 H new ATOM 325 N ARG A 24 -11.924 -5.179 0.573 1.00 0.00 N ATOM 326 CA ARG A 24 -12.973 -4.496 -0.174 1.00 0.00 C ATOM 327 C ARG A 24 -13.037 -3.019 0.204 1.00 0.00 C ATOM 328 O ARG A 24 -14.118 -2.464 0.402 1.00 0.00 O ATOM 329 CB ARG A 24 -14.327 -5.159 0.085 1.00 0.00 C ATOM 330 CG ARG A 24 -14.595 -6.363 -0.803 1.00 0.00 C ATOM 331 CD ARG A 24 -15.196 -5.950 -2.137 1.00 0.00 C ATOM 332 NE ARG A 24 -15.552 -7.104 -2.958 1.00 0.00 N ATOM 333 CZ ARG A 24 -16.693 -7.772 -2.832 1.00 0.00 C ATOM 334 NH1 ARG A 24 -17.584 -7.403 -1.923 1.00 0.00 N ATOM 335 NH2 ARG A 24 -16.944 -8.812 -3.617 1.00 0.00 N ATOM 0 H ARG A 24 -11.447 -5.916 0.053 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.736 -4.571 -1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.376 -5.470 1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -15.117 -4.423 -0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.664 -6.904 -0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -15.273 -7.048 -0.294 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.084 -5.342 -1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.484 -5.326 -2.678 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.888 -7.414 -3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -17.394 -6.604 -1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -18.459 -7.918 -1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.260 -9.099 -4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.820 -9.325 -3.520 1.00 0.00 H new ATOM 349 N VAL A 25 -11.871 -2.388 0.304 1.00 0.00 N ATOM 350 CA VAL A 25 -11.794 -0.976 0.658 1.00 0.00 C ATOM 351 C VAL A 25 -12.828 -0.160 -0.110 1.00 0.00 C ATOM 352 O VAL A 25 -12.767 -0.056 -1.334 1.00 0.00 O ATOM 353 CB VAL A 25 -10.392 -0.402 0.378 1.00 0.00 C ATOM 354 CG1 VAL A 25 -9.365 -1.024 1.312 1.00 0.00 C ATOM 355 CG2 VAL A 25 -10.007 -0.625 -1.077 1.00 0.00 C ATOM 0 H VAL A 25 -10.967 -2.833 0.145 1.00 0.00 H new ATOM 0 HA VAL A 25 -12.000 -0.906 1.726 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.413 0.672 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.381 -0.607 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.636 -0.808 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.342 -2.103 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.014 -0.214 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.002 -1.694 -1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.729 -0.128 -1.725 1.00 0.00 H new ATOM 365 N GLY A 26 -13.777 0.420 0.619 1.00 0.00 N ATOM 366 CA GLY A 26 -14.811 1.220 -0.010 1.00 0.00 C ATOM 367 C GLY A 26 -14.924 2.604 0.599 1.00 0.00 C ATOM 368 O GLY A 26 -14.823 3.610 -0.105 1.00 0.00 O ATOM 0 H GLY A 26 -13.848 0.350 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.598 1.311 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.769 0.707 0.081 1.00 0.00 H new ATOM 372 N LEU A 27 -15.135 2.657 1.909 1.00 0.00 N ATOM 373 CA LEU A 27 -15.263 3.928 2.613 1.00 0.00 C ATOM 374 C LEU A 27 -13.897 4.571 2.830 1.00 0.00 C ATOM 375 O LEU A 27 -13.739 5.784 2.688 1.00 0.00 O ATOM 376 CB LEU A 27 -15.962 3.721 3.958 1.00 0.00 C ATOM 377 CG LEU A 27 -17.488 3.810 3.942 1.00 0.00 C ATOM 378 CD1 LEU A 27 -18.092 2.532 3.383 1.00 0.00 C ATOM 379 CD2 LEU A 27 -18.020 4.087 5.341 1.00 0.00 C ATOM 0 H LEU A 27 -15.221 1.834 2.506 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.865 4.597 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.679 2.742 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.582 4.463 4.660 1.00 0.00 H new ATOM 0 HG LEU A 27 -17.778 4.637 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -19.179 2.614 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -17.737 2.377 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.794 1.687 4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.108 4.147 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.719 3.281 6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.614 5.031 5.704 1.00 0.00 H new ATOM 391 N THR A 28 -12.910 3.749 3.173 1.00 0.00 N ATOM 392 CA THR A 28 -11.557 4.236 3.409 1.00 0.00 C ATOM 393 C THR A 28 -10.591 3.706 2.356 1.00 0.00 C ATOM 394 O THR A 28 -9.505 3.228 2.681 1.00 0.00 O ATOM 395 CB THR A 28 -11.050 3.832 4.806 1.00 0.00 C ATOM 396 OG1 THR A 28 -11.167 2.415 4.978 1.00 0.00 O ATOM 397 CG2 THR A 28 -11.835 4.547 5.895 1.00 0.00 C ATOM 0 H THR A 28 -13.023 2.742 3.294 1.00 0.00 H new ATOM 0 HA THR A 28 -11.597 5.323 3.347 1.00 0.00 H new ATOM 0 HB THR A 28 -10.002 4.122 4.886 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.841 2.165 5.868 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.459 4.245 6.872 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.720 5.625 5.779 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.890 4.284 5.815 1.00 0.00 H new ATOM 405 N GLY A 29 -10.993 3.794 1.092 1.00 0.00 N ATOM 406 CA GLY A 29 -10.150 3.319 0.011 1.00 0.00 C ATOM 407 C GLY A 29 -9.185 4.380 -0.481 1.00 0.00 C ATOM 408 O GLY A 29 -9.602 5.425 -0.981 1.00 0.00 O ATOM 0 H GLY A 29 -11.887 4.186 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.587 2.449 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.777 2.991 -0.818 1.00 0.00 H new ATOM 412 N PHE A 30 -7.891 4.113 -0.338 1.00 0.00 N ATOM 413 CA PHE A 30 -6.864 5.055 -0.769 1.00 0.00 C ATOM 414 C PHE A 30 -6.156 4.550 -2.023 1.00 0.00 C ATOM 415 O PHE A 30 -5.381 3.596 -1.969 1.00 0.00 O ATOM 416 CB PHE A 30 -5.846 5.279 0.350 1.00 0.00 C ATOM 417 CG PHE A 30 -6.363 6.138 1.468 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.320 5.655 2.346 1.00 0.00 C ATOM 419 CD2 PHE A 30 -5.892 7.430 1.642 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.798 6.444 3.375 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.366 8.223 2.669 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.320 7.729 3.537 1.00 0.00 C ATOM 0 H PHE A 30 -7.529 3.253 0.073 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.350 6.002 -1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.544 4.313 0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.953 5.742 -0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.697 4.650 2.225 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.146 7.821 0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.545 6.056 4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.991 9.228 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.691 8.347 4.341 1.00 0.00 H new ATOM 432 N MET A 31 -6.428 5.198 -3.151 1.00 0.00 N ATOM 433 CA MET A 31 -5.817 4.816 -4.418 1.00 0.00 C ATOM 434 C MET A 31 -4.424 5.423 -4.555 1.00 0.00 C ATOM 435 O MET A 31 -4.278 6.596 -4.898 1.00 0.00 O ATOM 436 CB MET A 31 -6.697 5.262 -5.588 1.00 0.00 C ATOM 437 CG MET A 31 -6.281 4.665 -6.923 1.00 0.00 C ATOM 438 SD MET A 31 -7.619 4.667 -8.131 1.00 0.00 S ATOM 439 CE MET A 31 -7.402 3.055 -8.881 1.00 0.00 C ATOM 0 H MET A 31 -7.068 5.990 -3.213 1.00 0.00 H new ATOM 0 HA MET A 31 -5.724 3.730 -4.435 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.731 4.984 -5.381 1.00 0.00 H new ATOM 0 HB3 MET A 31 -6.668 6.349 -5.660 1.00 0.00 H new ATOM 0 HG2 MET A 31 -5.437 5.228 -7.321 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.938 3.642 -6.768 1.00 0.00 H new ATOM 0 HE1 MET A 31 -8.159 2.907 -9.652 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.410 2.993 -9.329 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.505 2.282 -8.119 1.00 0.00 H new ATOM 449 N CYS A 32 -3.403 4.616 -4.284 1.00 0.00 N ATOM 450 CA CYS A 32 -2.022 5.073 -4.375 1.00 0.00 C ATOM 451 C CYS A 32 -1.751 5.717 -5.732 1.00 0.00 C ATOM 452 O CYS A 32 -2.592 5.675 -6.630 1.00 0.00 O ATOM 453 CB CYS A 32 -1.061 3.904 -4.152 1.00 0.00 C ATOM 454 SG CYS A 32 0.599 4.403 -3.590 1.00 0.00 S ATOM 0 H CYS A 32 -3.507 3.642 -4.000 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.860 5.821 -3.599 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.494 3.227 -3.416 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.965 3.344 -5.082 1.00 0.00 H new ATOM 459 N ARG A 33 -0.571 6.312 -5.873 1.00 0.00 N ATOM 460 CA ARG A 33 -0.188 6.965 -7.119 1.00 0.00 C ATOM 461 C ARG A 33 0.143 5.935 -8.194 1.00 0.00 C ATOM 462 O ARG A 33 -0.301 6.050 -9.337 1.00 0.00 O ATOM 463 CB ARG A 33 1.013 7.884 -6.890 1.00 0.00 C ATOM 464 CG ARG A 33 2.272 7.145 -6.463 1.00 0.00 C ATOM 465 CD ARG A 33 3.326 8.103 -5.930 1.00 0.00 C ATOM 466 NE ARG A 33 3.669 9.137 -6.903 1.00 0.00 N ATOM 467 CZ ARG A 33 3.087 10.330 -6.943 1.00 0.00 C ATOM 468 NH1 ARG A 33 2.138 10.639 -6.070 1.00 0.00 N ATOM 469 NH2 ARG A 33 3.453 11.218 -7.858 1.00 0.00 N ATOM 0 H ARG A 33 0.136 6.355 -5.140 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.033 7.562 -7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.219 8.435 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.757 8.619 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.023 6.413 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.676 6.593 -7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.961 8.572 -5.016 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.223 7.544 -5.664 1.00 0.00 H new ATOM 0 HE ARG A 33 4.395 8.932 -7.589 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.853 9.959 -5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.693 11.556 -6.104 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.182 10.985 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.005 12.134 -7.888 1.00 0.00 H new ATOM 483 N CYS A 34 0.926 4.928 -7.820 1.00 0.00 N ATOM 484 CA CYS A 34 1.318 3.877 -8.751 1.00 0.00 C ATOM 485 C CYS A 34 0.136 3.446 -9.614 1.00 0.00 C ATOM 486 O CYS A 34 0.297 3.124 -10.791 1.00 0.00 O ATOM 487 CB CYS A 34 1.874 2.673 -7.989 1.00 0.00 C ATOM 488 SG CYS A 34 0.881 2.188 -6.541 1.00 0.00 S ATOM 0 H CYS A 34 1.301 4.818 -6.878 1.00 0.00 H new ATOM 0 HA CYS A 34 2.095 4.275 -9.404 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.942 1.825 -8.670 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.888 2.901 -7.661 1.00 0.00 H new ATOM 493 N GLY A 35 -1.054 3.443 -9.020 1.00 0.00 N ATOM 494 CA GLY A 35 -2.246 3.050 -9.748 1.00 0.00 C ATOM 495 C GLY A 35 -2.951 1.869 -9.112 1.00 0.00 C ATOM 496 O GLY A 35 -3.553 1.048 -9.805 1.00 0.00 O ATOM 0 H GLY A 35 -1.213 3.706 -8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.933 3.895 -9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.975 2.798 -10.773 1.00 0.00 H new ATOM 500 N THR A 36 -2.876 1.780 -7.788 1.00 0.00 N ATOM 501 CA THR A 36 -3.509 0.689 -7.058 1.00 0.00 C ATOM 502 C THR A 36 -4.351 1.217 -5.901 1.00 0.00 C ATOM 503 O THR A 36 -4.363 2.417 -5.625 1.00 0.00 O ATOM 504 CB THR A 36 -2.465 -0.300 -6.508 1.00 0.00 C ATOM 505 OG1 THR A 36 -1.295 0.408 -6.083 1.00 0.00 O ATOM 506 CG2 THR A 36 -2.085 -1.329 -7.563 1.00 0.00 C ATOM 0 H THR A 36 -2.383 2.451 -7.199 1.00 0.00 H new ATOM 0 HA THR A 36 -4.154 0.168 -7.766 1.00 0.00 H new ATOM 0 HB THR A 36 -2.904 -0.820 -5.657 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.830 0.771 -6.866 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.346 -2.017 -7.151 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.972 -1.887 -7.863 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.664 -0.822 -8.431 1.00 0.00 H new ATOM 514 N THR A 37 -5.054 0.313 -5.226 1.00 0.00 N ATOM 515 CA THR A 37 -5.898 0.688 -4.099 1.00 0.00 C ATOM 516 C THR A 37 -5.524 -0.096 -2.846 1.00 0.00 C ATOM 517 O THR A 37 -5.273 -1.300 -2.907 1.00 0.00 O ATOM 518 CB THR A 37 -7.388 0.453 -4.411 1.00 0.00 C ATOM 519 OG1 THR A 37 -7.718 1.020 -5.684 1.00 0.00 O ATOM 520 CG2 THR A 37 -8.270 1.066 -3.334 1.00 0.00 C ATOM 0 H THR A 37 -5.055 -0.684 -5.441 1.00 0.00 H new ATOM 0 HA THR A 37 -5.734 1.751 -3.922 1.00 0.00 H new ATOM 0 HB THR A 37 -7.565 -0.622 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.667 0.865 -5.875 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.318 0.887 -3.576 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.038 0.611 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.088 2.139 -3.282 1.00 0.00 H new ATOM 528 N PHE A 38 -5.488 0.594 -1.711 1.00 0.00 N ATOM 529 CA PHE A 38 -5.143 -0.038 -0.443 1.00 0.00 C ATOM 530 C PHE A 38 -6.048 0.464 0.679 1.00 0.00 C ATOM 531 O PHE A 38 -6.852 1.375 0.482 1.00 0.00 O ATOM 532 CB PHE A 38 -3.679 0.236 -0.093 1.00 0.00 C ATOM 533 CG PHE A 38 -2.715 -0.216 -1.153 1.00 0.00 C ATOM 534 CD1 PHE A 38 -2.456 -1.564 -1.344 1.00 0.00 C ATOM 535 CD2 PHE A 38 -2.068 0.707 -1.959 1.00 0.00 C ATOM 536 CE1 PHE A 38 -1.569 -1.982 -2.318 1.00 0.00 C ATOM 537 CE2 PHE A 38 -1.181 0.295 -2.935 1.00 0.00 C ATOM 538 CZ PHE A 38 -0.932 -1.051 -3.115 1.00 0.00 C ATOM 0 H PHE A 38 -5.693 1.591 -1.643 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.288 -1.113 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.548 1.305 0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.438 -0.266 0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.953 -2.296 -0.725 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.259 1.761 -1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.374 -3.035 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.683 1.025 -3.556 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.240 -1.376 -3.878 1.00 0.00 H new ATOM 548 N CYS A 39 -5.910 -0.138 1.856 1.00 0.00 N ATOM 549 CA CYS A 39 -6.714 0.246 3.010 1.00 0.00 C ATOM 550 C CYS A 39 -6.029 1.351 3.807 1.00 0.00 C ATOM 551 O CYS A 39 -4.904 1.746 3.502 1.00 0.00 O ATOM 552 CB CYS A 39 -6.965 -0.966 3.909 1.00 0.00 C ATOM 553 SG CYS A 39 -5.446 -1.773 4.509 1.00 0.00 S ATOM 0 H CYS A 39 -5.249 -0.894 2.035 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.669 0.624 2.646 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.560 -0.652 4.767 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.559 -1.696 3.359 1.00 0.00 H new ATOM 558 N GLY A 40 -6.716 1.848 4.832 1.00 0.00 N ATOM 559 CA GLY A 40 -6.158 2.903 5.658 1.00 0.00 C ATOM 560 C GLY A 40 -4.883 2.477 6.358 1.00 0.00 C ATOM 561 O GLY A 40 -4.105 3.318 6.810 1.00 0.00 O ATOM 0 H GLY A 40 -7.649 1.539 5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.954 3.776 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.894 3.205 6.403 1.00 0.00 H new ATOM 565 N SER A 41 -4.668 1.169 6.450 1.00 0.00 N ATOM 566 CA SER A 41 -3.481 0.634 7.106 1.00 0.00 C ATOM 567 C SER A 41 -2.384 0.337 6.087 1.00 0.00 C ATOM 568 O SER A 41 -1.197 0.346 6.414 1.00 0.00 O ATOM 569 CB SER A 41 -3.830 -0.638 7.881 1.00 0.00 C ATOM 570 OG SER A 41 -2.668 -1.236 8.430 1.00 0.00 O ATOM 0 H SER A 41 -5.300 0.460 6.079 1.00 0.00 H new ATOM 0 HA SER A 41 -3.112 1.386 7.803 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.532 -0.400 8.680 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.329 -1.346 7.219 1.00 0.00 H new ATOM 0 HG SER A 41 -2.918 -2.046 8.921 1.00 0.00 H new ATOM 576 N HIS A 42 -2.792 0.073 4.849 1.00 0.00 N ATOM 577 CA HIS A 42 -1.845 -0.226 3.780 1.00 0.00 C ATOM 578 C HIS A 42 -1.896 0.844 2.694 1.00 0.00 C ATOM 579 O HIS A 42 -1.541 0.591 1.543 1.00 0.00 O ATOM 580 CB HIS A 42 -2.144 -1.598 3.175 1.00 0.00 C ATOM 581 CG HIS A 42 -2.095 -2.715 4.171 1.00 0.00 C ATOM 582 ND1 HIS A 42 -2.776 -3.903 4.004 1.00 0.00 N ATOM 583 CD2 HIS A 42 -1.440 -2.822 5.351 1.00 0.00 C ATOM 584 CE1 HIS A 42 -2.543 -4.691 5.039 1.00 0.00 C ATOM 585 NE2 HIS A 42 -1.735 -4.058 5.871 1.00 0.00 N ATOM 0 H HIS A 42 -3.771 0.060 4.562 1.00 0.00 H new ATOM 0 HA HIS A 42 -0.843 -0.236 4.208 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.132 -1.576 2.715 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -1.426 -1.800 2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.804 -2.074 5.800 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.945 -5.683 5.181 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.387 -4.427 6.756 1.00 0.00 H new ATOM 593 N ARG A 43 -2.339 2.040 3.068 1.00 0.00 N ATOM 594 CA ARG A 43 -2.438 3.147 2.125 1.00 0.00 C ATOM 595 C ARG A 43 -1.055 3.682 1.768 1.00 0.00 C ATOM 596 O ARG A 43 -0.831 4.159 0.655 1.00 0.00 O ATOM 597 CB ARG A 43 -3.295 4.270 2.713 1.00 0.00 C ATOM 598 CG ARG A 43 -2.649 4.974 3.895 1.00 0.00 C ATOM 599 CD ARG A 43 -3.593 5.987 4.524 1.00 0.00 C ATOM 600 NE ARG A 43 -3.435 7.317 3.942 1.00 0.00 N ATOM 601 CZ ARG A 43 -2.569 8.218 4.392 1.00 0.00 C ATOM 602 NH1 ARG A 43 -1.786 7.932 5.423 1.00 0.00 N ATOM 603 NH2 ARG A 43 -2.483 9.407 3.809 1.00 0.00 N ATOM 0 H ARG A 43 -2.635 2.267 4.017 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.911 2.776 1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.503 5.003 1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.254 3.858 3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.354 4.237 4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.739 5.477 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.622 5.654 4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.409 6.037 5.597 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.022 7.568 3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.848 7.018 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.122 8.626 5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.082 9.630 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.818 10.098 4.156 1.00 0.00 H new ATOM 617 N TYR A 44 -0.131 3.600 2.719 1.00 0.00 N ATOM 618 CA TYR A 44 1.230 4.079 2.506 1.00 0.00 C ATOM 619 C TYR A 44 1.934 3.258 1.430 1.00 0.00 C ATOM 620 O TYR A 44 1.661 2.073 1.239 1.00 0.00 O ATOM 621 CB TYR A 44 2.025 4.018 3.811 1.00 0.00 C ATOM 622 CG TYR A 44 1.493 4.937 4.887 1.00 0.00 C ATOM 623 CD1 TYR A 44 1.805 6.291 4.888 1.00 0.00 C ATOM 624 CD2 TYR A 44 0.678 4.452 5.903 1.00 0.00 C ATOM 625 CE1 TYR A 44 1.323 7.135 5.870 1.00 0.00 C ATOM 626 CE2 TYR A 44 0.190 5.289 6.888 1.00 0.00 C ATOM 627 CZ TYR A 44 0.515 6.629 6.867 1.00 0.00 C ATOM 628 OH TYR A 44 0.031 7.467 7.846 1.00 0.00 O ATOM 0 H TYR A 44 -0.300 3.206 3.645 1.00 0.00 H new ATOM 0 HA TYR A 44 1.175 5.114 2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.018 2.994 4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.064 4.275 3.606 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.435 6.691 4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.422 3.403 5.923 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.577 8.185 5.857 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.443 4.896 7.670 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.522 6.954 8.471 1.00 0.00 H new ATOM 638 N PRO A 45 2.864 3.902 0.709 1.00 0.00 N ATOM 639 CA PRO A 45 3.628 3.252 -0.360 1.00 0.00 C ATOM 640 C PRO A 45 4.617 2.224 0.178 1.00 0.00 C ATOM 641 O PRO A 45 4.745 1.129 -0.368 1.00 0.00 O ATOM 642 CB PRO A 45 4.372 4.415 -1.021 1.00 0.00 C ATOM 643 CG PRO A 45 4.482 5.449 0.045 1.00 0.00 C ATOM 644 CD PRO A 45 3.241 5.315 0.882 1.00 0.00 C ATOM 0 HA PRO A 45 2.984 2.697 -1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.355 4.106 -1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.826 4.794 -1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.377 5.295 0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.556 6.447 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.434 5.554 1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.452 5.986 0.542 1.00 0.00 H new ATOM 652 N GLU A 46 5.313 2.584 1.252 1.00 0.00 N ATOM 653 CA GLU A 46 6.291 1.691 1.863 1.00 0.00 C ATOM 654 C GLU A 46 5.648 0.360 2.244 1.00 0.00 C ATOM 655 O GLU A 46 6.243 -0.703 2.064 1.00 0.00 O ATOM 656 CB GLU A 46 6.909 2.345 3.100 1.00 0.00 C ATOM 657 CG GLU A 46 5.917 2.568 4.230 1.00 0.00 C ATOM 658 CD GLU A 46 6.389 3.613 5.222 1.00 0.00 C ATOM 659 OE1 GLU A 46 7.489 3.440 5.788 1.00 0.00 O ATOM 660 OE2 GLU A 46 5.658 4.603 5.433 1.00 0.00 O ATOM 0 H GLU A 46 5.218 3.487 1.717 1.00 0.00 H new ATOM 0 HA GLU A 46 7.077 1.499 1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.725 1.719 3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.344 3.303 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.959 2.876 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.749 1.626 4.752 1.00 0.00 H new ATOM 667 N VAL A 47 4.431 0.427 2.773 1.00 0.00 N ATOM 668 CA VAL A 47 3.707 -0.771 3.179 1.00 0.00 C ATOM 669 C VAL A 47 3.602 -1.767 2.030 1.00 0.00 C ATOM 670 O VAL A 47 3.927 -2.945 2.183 1.00 0.00 O ATOM 671 CB VAL A 47 2.290 -0.429 3.677 1.00 0.00 C ATOM 672 CG1 VAL A 47 1.493 -1.699 3.937 1.00 0.00 C ATOM 673 CG2 VAL A 47 2.359 0.432 4.930 1.00 0.00 C ATOM 0 H VAL A 47 3.925 1.299 2.930 1.00 0.00 H new ATOM 0 HA VAL A 47 4.273 -1.220 3.995 1.00 0.00 H new ATOM 0 HB VAL A 47 1.779 0.139 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.495 -1.437 4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.414 -2.274 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.999 -2.297 4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.349 0.664 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.889 -0.109 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.889 1.358 4.706 1.00 0.00 H new ATOM 683 N HIS A 48 3.148 -1.286 0.877 1.00 0.00 N ATOM 684 CA HIS A 48 3.003 -2.135 -0.301 1.00 0.00 C ATOM 685 C HIS A 48 4.158 -1.918 -1.273 1.00 0.00 C ATOM 686 O HIS A 48 3.977 -1.967 -2.489 1.00 0.00 O ATOM 687 CB HIS A 48 1.673 -1.850 -0.999 1.00 0.00 C ATOM 688 CG HIS A 48 1.566 -0.457 -1.540 1.00 0.00 C ATOM 689 ND1 HIS A 48 0.900 0.556 -0.883 1.00 0.00 N ATOM 690 CD2 HIS A 48 2.048 0.089 -2.681 1.00 0.00 C ATOM 691 CE1 HIS A 48 0.975 1.665 -1.598 1.00 0.00 C ATOM 692 NE2 HIS A 48 1.667 1.408 -2.693 1.00 0.00 N ATOM 0 H HIS A 48 2.874 -0.314 0.733 1.00 0.00 H new ATOM 0 HA HIS A 48 3.018 -3.175 0.026 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.542 -2.559 -1.816 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.859 -2.021 -0.295 1.00 0.00 H new ATOM 0 HD1 HIS A 48 0.424 0.464 0.014 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.625 -0.418 -3.440 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.544 2.619 -1.332 1.00 0.00 H new ATOM 700 N GLY A 49 5.347 -1.677 -0.728 1.00 0.00 N ATOM 701 CA GLY A 49 6.514 -1.455 -1.562 1.00 0.00 C ATOM 702 C GLY A 49 6.171 -0.767 -2.869 1.00 0.00 C ATOM 703 O GLY A 49 6.279 -1.364 -3.940 1.00 0.00 O ATOM 0 H GLY A 49 5.523 -1.632 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.237 -0.850 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.993 -2.411 -1.773 1.00 0.00 H new ATOM 707 N CYS A 50 5.753 0.492 -2.781 1.00 0.00 N ATOM 708 CA CYS A 50 5.391 1.262 -3.965 1.00 0.00 C ATOM 709 C CYS A 50 6.523 1.252 -4.988 1.00 0.00 C ATOM 710 O CYS A 50 7.698 1.167 -4.630 1.00 0.00 O ATOM 711 CB CYS A 50 5.051 2.702 -3.577 1.00 0.00 C ATOM 712 SG CYS A 50 4.145 3.623 -4.862 1.00 0.00 S ATOM 0 H CYS A 50 5.657 1.000 -1.902 1.00 0.00 H new ATOM 0 HA CYS A 50 4.514 0.798 -4.416 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.455 2.690 -2.665 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.975 3.233 -3.347 1.00 0.00 H new ATOM 717 N THR A 51 6.161 1.340 -6.264 1.00 0.00 N ATOM 718 CA THR A 51 7.145 1.341 -7.339 1.00 0.00 C ATOM 719 C THR A 51 6.830 2.418 -8.371 1.00 0.00 C ATOM 720 O THR A 51 5.889 2.286 -9.154 1.00 0.00 O ATOM 721 CB THR A 51 7.208 -0.027 -8.044 1.00 0.00 C ATOM 722 OG1 THR A 51 7.940 0.087 -9.270 1.00 0.00 O ATOM 723 CG2 THR A 51 5.809 -0.553 -8.330 1.00 0.00 C ATOM 0 H THR A 51 5.193 1.412 -6.578 1.00 0.00 H new ATOM 0 HA THR A 51 8.112 1.551 -6.882 1.00 0.00 H new ATOM 0 HB THR A 51 7.715 -0.729 -7.382 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.977 -0.787 -9.711 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.879 -1.520 -8.828 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.264 -0.666 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.281 0.150 -8.974 1.00 0.00 H new ATOM 731 N PHE A 52 7.623 3.484 -8.368 1.00 0.00 N ATOM 732 CA PHE A 52 7.429 4.585 -9.305 1.00 0.00 C ATOM 733 C PHE A 52 7.961 4.222 -10.688 1.00 0.00 C ATOM 734 O PHE A 52 8.933 3.478 -10.816 1.00 0.00 O ATOM 735 CB PHE A 52 8.125 5.847 -8.793 1.00 0.00 C ATOM 736 CG PHE A 52 7.804 7.076 -9.594 1.00 0.00 C ATOM 737 CD1 PHE A 52 6.488 7.428 -9.850 1.00 0.00 C ATOM 738 CD2 PHE A 52 8.817 7.880 -10.092 1.00 0.00 C ATOM 739 CE1 PHE A 52 6.189 8.558 -10.588 1.00 0.00 C ATOM 740 CE2 PHE A 52 8.524 9.011 -10.830 1.00 0.00 C ATOM 741 CZ PHE A 52 7.209 9.351 -11.077 1.00 0.00 C ATOM 0 H PHE A 52 8.406 3.609 -7.727 1.00 0.00 H new ATOM 0 HA PHE A 52 6.359 4.776 -9.386 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.838 6.015 -7.755 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.203 5.687 -8.804 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.687 6.812 -9.468 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.848 7.620 -9.901 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.159 8.820 -10.782 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.323 9.628 -11.213 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.978 10.236 -11.652 1.00 0.00 H new ATOM 751 N ASP A 53 7.315 4.752 -11.721 1.00 0.00 N ATOM 752 CA ASP A 53 7.722 4.486 -13.096 1.00 0.00 C ATOM 753 C ASP A 53 8.923 5.343 -13.483 1.00 0.00 C ATOM 754 O ASP A 53 8.775 6.381 -14.129 1.00 0.00 O ATOM 755 CB ASP A 53 6.561 4.749 -14.055 1.00 0.00 C ATOM 756 CG ASP A 53 5.647 3.549 -14.201 1.00 0.00 C ATOM 757 OD1 ASP A 53 6.130 2.411 -14.027 1.00 0.00 O ATOM 758 OD2 ASP A 53 4.448 3.747 -14.491 1.00 0.00 O ATOM 0 H ASP A 53 6.507 5.368 -11.632 1.00 0.00 H new ATOM 0 HA ASP A 53 8.010 3.437 -13.167 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.983 5.601 -13.696 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.957 5.022 -15.033 1.00 0.00 H new ATOM 763 N PHE A 54 10.111 4.904 -13.083 1.00 0.00 N ATOM 764 CA PHE A 54 11.338 5.633 -13.386 1.00 0.00 C ATOM 765 C PHE A 54 11.301 6.193 -14.805 1.00 0.00 C ATOM 766 O PHE A 54 11.343 5.444 -15.782 1.00 0.00 O ATOM 767 CB PHE A 54 12.554 4.720 -13.217 1.00 0.00 C ATOM 768 CG PHE A 54 12.532 3.921 -11.945 1.00 0.00 C ATOM 769 CD1 PHE A 54 12.448 4.555 -10.716 1.00 0.00 C ATOM 770 CD2 PHE A 54 12.595 2.538 -11.979 1.00 0.00 C ATOM 771 CE1 PHE A 54 12.429 3.823 -9.544 1.00 0.00 C ATOM 772 CE2 PHE A 54 12.576 1.800 -10.810 1.00 0.00 C ATOM 773 CZ PHE A 54 12.492 2.444 -9.591 1.00 0.00 C ATOM 0 H PHE A 54 10.251 4.047 -12.548 1.00 0.00 H new ATOM 0 HA PHE A 54 11.418 6.466 -12.687 1.00 0.00 H new ATOM 0 HB2 PHE A 54 12.606 4.037 -14.065 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.460 5.326 -13.240 1.00 0.00 H new ATOM 0 HD1 PHE A 54 12.397 5.633 -10.673 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.660 2.030 -12.930 1.00 0.00 H new ATOM 0 HE1 PHE A 54 12.365 4.329 -8.592 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.627 0.722 -10.850 1.00 0.00 H new ATOM 0 HZ PHE A 54 12.476 1.870 -8.676 1.00 0.00 H new ATOM 783 N LYS A 55 11.221 7.515 -14.911 1.00 0.00 N ATOM 784 CA LYS A 55 11.179 8.178 -16.209 1.00 0.00 C ATOM 785 C LYS A 55 12.569 8.650 -16.624 1.00 0.00 C ATOM 786 O LYS A 55 12.957 9.786 -16.348 1.00 0.00 O ATOM 787 CB LYS A 55 10.216 9.366 -16.167 1.00 0.00 C ATOM 788 CG LYS A 55 10.601 10.426 -15.150 1.00 0.00 C ATOM 789 CD LYS A 55 9.402 11.261 -14.733 1.00 0.00 C ATOM 790 CE LYS A 55 9.109 12.358 -15.746 1.00 0.00 C ATOM 791 NZ LYS A 55 8.290 11.856 -16.884 1.00 0.00 N ATOM 0 H LYS A 55 11.184 8.149 -14.113 1.00 0.00 H new ATOM 0 HA LYS A 55 10.825 7.457 -16.946 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.172 9.822 -17.156 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.214 9.003 -15.939 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.036 9.948 -14.272 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.368 11.075 -15.572 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.528 10.618 -14.628 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.589 11.707 -13.756 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.584 13.177 -15.254 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.047 12.763 -16.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.688 12.624 -17.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.918 11.523 -17.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.691 11.070 -16.560 1.00 0.00 H new ATOM 805 N SER A 56 13.314 7.773 -17.289 1.00 0.00 N ATOM 806 CA SER A 56 14.661 8.101 -17.739 1.00 0.00 C ATOM 807 C SER A 56 14.619 9.022 -18.955 1.00 0.00 C ATOM 808 O SER A 56 13.604 9.109 -19.646 1.00 0.00 O ATOM 809 CB SER A 56 15.433 6.824 -18.080 1.00 0.00 C ATOM 810 OG SER A 56 15.903 6.184 -16.906 1.00 0.00 O ATOM 0 H SER A 56 13.007 6.830 -17.528 1.00 0.00 H new ATOM 0 HA SER A 56 15.171 8.621 -16.928 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.789 6.143 -18.636 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.275 7.066 -18.728 1.00 0.00 H new ATOM 0 HG SER A 56 16.391 5.370 -17.150 1.00 0.00 H new ATOM 816 N ALA A 57 15.729 9.707 -19.209 1.00 0.00 N ATOM 817 CA ALA A 57 15.820 10.620 -20.341 1.00 0.00 C ATOM 818 C ALA A 57 16.606 9.995 -21.489 1.00 0.00 C ATOM 819 O ALA A 57 17.833 10.083 -21.534 1.00 0.00 O ATOM 820 CB ALA A 57 16.462 11.931 -19.912 1.00 0.00 C ATOM 0 H ALA A 57 16.577 9.647 -18.646 1.00 0.00 H new ATOM 0 HA ALA A 57 14.809 10.822 -20.695 1.00 0.00 H new ATOM 0 HB1 ALA A 57 16.523 12.603 -20.768 1.00 0.00 H new ATOM 0 HB2 ALA A 57 15.859 12.393 -19.130 1.00 0.00 H new ATOM 0 HB3 ALA A 57 17.464 11.737 -19.530 1.00 0.00 H new ATOM 826 N GLY A 58 15.892 9.363 -22.415 1.00 0.00 N ATOM 827 CA GLY A 58 16.540 8.732 -23.549 1.00 0.00 C ATOM 828 C GLY A 58 15.734 8.865 -24.826 1.00 0.00 C ATOM 829 O GLY A 58 15.513 9.972 -25.316 1.00 0.00 O ATOM 0 H GLY A 58 14.876 9.277 -22.400 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.524 9.178 -23.696 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.698 7.676 -23.331 1.00 0.00 H new ATOM 833 N SER A 59 15.294 7.733 -25.367 1.00 0.00 N ATOM 834 CA SER A 59 14.512 7.727 -26.597 1.00 0.00 C ATOM 835 C SER A 59 13.174 7.025 -26.388 1.00 0.00 C ATOM 836 O SER A 59 13.115 5.931 -25.827 1.00 0.00 O ATOM 837 CB SER A 59 15.292 7.039 -27.719 1.00 0.00 C ATOM 838 OG SER A 59 14.652 7.219 -28.970 1.00 0.00 O ATOM 0 H SER A 59 15.466 6.808 -24.972 1.00 0.00 H new ATOM 0 HA SER A 59 14.319 8.762 -26.880 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.304 7.443 -27.763 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.383 5.974 -27.503 1.00 0.00 H new ATOM 0 HG SER A 59 15.171 6.771 -29.670 1.00 0.00 H new ATOM 844 N GLY A 60 12.100 7.662 -26.843 1.00 0.00 N ATOM 845 CA GLY A 60 10.776 7.085 -26.696 1.00 0.00 C ATOM 846 C GLY A 60 10.143 6.741 -28.030 1.00 0.00 C ATOM 847 O GLY A 60 10.186 7.521 -28.982 1.00 0.00 O ATOM 0 H GLY A 60 12.123 8.568 -27.311 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.841 6.185 -26.085 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.134 7.786 -26.163 1.00 0.00 H new ATOM 851 N PRO A 61 9.538 5.547 -28.112 1.00 0.00 N ATOM 852 CA PRO A 61 8.882 5.073 -29.334 1.00 0.00 C ATOM 853 C PRO A 61 7.607 5.850 -29.646 1.00 0.00 C ATOM 854 O PRO A 61 6.828 6.169 -28.748 1.00 0.00 O ATOM 855 CB PRO A 61 8.555 3.612 -29.018 1.00 0.00 C ATOM 856 CG PRO A 61 8.459 3.558 -27.533 1.00 0.00 C ATOM 857 CD PRO A 61 9.448 4.566 -27.017 1.00 0.00 C ATOM 0 HA PRO A 61 9.515 5.201 -30.212 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.620 3.305 -29.487 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.332 2.943 -29.389 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.449 3.796 -27.198 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.691 2.559 -27.163 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.105 5.028 -26.091 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.415 4.109 -26.806 1.00 0.00 H new ATOM 865 N SER A 62 7.400 6.150 -30.924 1.00 0.00 N ATOM 866 CA SER A 62 6.221 6.892 -31.353 1.00 0.00 C ATOM 867 C SER A 62 5.053 5.948 -31.621 1.00 0.00 C ATOM 868 O SER A 62 4.894 5.437 -32.730 1.00 0.00 O ATOM 869 CB SER A 62 6.533 7.705 -32.612 1.00 0.00 C ATOM 870 OG SER A 62 5.379 8.378 -33.083 1.00 0.00 O ATOM 0 H SER A 62 8.033 5.891 -31.680 1.00 0.00 H new ATOM 0 HA SER A 62 5.939 7.573 -30.550 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.318 8.430 -32.395 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.915 7.044 -33.390 1.00 0.00 H new ATOM 0 HG SER A 62 5.605 8.891 -33.887 1.00 0.00 H new ATOM 876 N SER A 63 4.237 5.720 -30.597 1.00 0.00 N ATOM 877 CA SER A 63 3.085 4.835 -30.719 1.00 0.00 C ATOM 878 C SER A 63 2.077 5.390 -31.720 1.00 0.00 C ATOM 879 O SER A 63 1.556 4.661 -32.563 1.00 0.00 O ATOM 880 CB SER A 63 2.415 4.644 -29.356 1.00 0.00 C ATOM 881 OG SER A 63 3.112 3.688 -28.575 1.00 0.00 O ATOM 0 H SER A 63 4.353 6.136 -29.673 1.00 0.00 H new ATOM 0 HA SER A 63 3.437 3.869 -31.082 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.382 5.596 -28.827 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.383 4.321 -29.496 1.00 0.00 H new ATOM 0 HG SER A 63 2.666 3.585 -27.709 1.00 0.00 H new ATOM 887 N GLY A 64 1.806 6.688 -31.620 1.00 0.00 N ATOM 888 CA GLY A 64 0.861 7.320 -32.522 1.00 0.00 C ATOM 889 C GLY A 64 1.042 6.871 -33.959 1.00 0.00 C ATOM 890 O GLY A 64 2.172 6.606 -34.366 1.00 0.00 O ATOM 0 H GLY A 64 2.224 7.313 -30.931 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.154 7.091 -32.198 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.977 8.402 -32.465 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 -4.955 -3.635 3.196 1.00 0.00 ZN HETATM 896 ZN ZN A 401 1.954 2.774 -4.558 1.00 0.00 ZN