USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 563 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 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot -150:sc= 0 USER MOD Set 1.2: A 72 GLN : amide:sc= 0 X(o=0,f=0.056) USER MOD Set 2.1: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 49 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 37 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0277 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.702 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -14:sc= 0.721 USER MOD Single : A 6 SER OG : rot 21:sc= 1.14 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00217) USER MOD Single : A 17 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.53) USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= -0.0113 (180deg=-0.747) USER MOD Single : A 26 LYS NZ :NH3+ -127:sc= -0.0271 (180deg=-0.865) USER MOD Single : A 27 HIS : no HD1:sc= -1.76! K(o=-1.8!,f=-1.2) USER MOD Single : A 29 GLN : amide:sc= -0.0474 X(o=-0.047,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -46:sc= 0.821 USER MOD Single : A 46 GLN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -170:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -112:sc= -0.15 (180deg=-0.414) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.79 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.551 X(o=-0.55,f=-0.55) USER MOD Single : A 75 SER OG : rot 73:sc= 0.334 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.728 3.177 -45.818 1.00 0.00 N ATOM 2 CA GLY A 1 -13.973 2.637 -44.702 1.00 0.00 C ATOM 3 C GLY A 1 -14.452 1.259 -44.291 1.00 0.00 C ATOM 4 O GLY A 1 -15.622 0.922 -44.470 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.107 3.265 -46.647 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.518 2.540 -46.043 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.101 4.114 -45.564 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.918 2.586 -44.972 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.052 3.314 -43.852 1.00 0.00 H new ATOM 8 N SER A 2 -13.544 0.460 -43.738 1.00 0.00 N ATOM 9 CA SER A 2 -13.879 -0.892 -43.305 1.00 0.00 C ATOM 10 C SER A 2 -12.855 -1.409 -42.299 1.00 0.00 C ATOM 11 O SER A 2 -11.671 -1.533 -42.611 1.00 0.00 O ATOM 12 CB SER A 2 -13.949 -1.833 -44.509 1.00 0.00 C ATOM 13 OG SER A 2 -12.676 -1.985 -45.113 1.00 0.00 O ATOM 0 H SER A 2 -12.572 0.725 -43.579 1.00 0.00 H new ATOM 0 HA SER A 2 -14.855 -0.861 -42.820 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.323 -2.807 -44.192 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.657 -1.442 -45.239 1.00 0.00 H new ATOM 0 HG SER A 2 -11.979 -1.921 -44.427 1.00 0.00 H new ATOM 19 N SER A 3 -13.321 -1.709 -41.091 1.00 0.00 N ATOM 20 CA SER A 3 -12.446 -2.210 -40.037 1.00 0.00 C ATOM 21 C SER A 3 -13.258 -2.854 -38.918 1.00 0.00 C ATOM 22 O SER A 3 -14.436 -2.551 -38.737 1.00 0.00 O ATOM 23 CB SER A 3 -11.590 -1.074 -39.473 1.00 0.00 C ATOM 24 OG SER A 3 -10.569 -1.575 -38.629 1.00 0.00 O ATOM 0 H SER A 3 -14.299 -1.614 -40.818 1.00 0.00 H new ATOM 0 HA SER A 3 -11.792 -2.967 -40.470 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.144 -0.509 -40.292 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.221 -0.382 -38.915 1.00 0.00 H new ATOM 0 HG SER A 3 -10.035 -0.829 -38.283 1.00 0.00 H new ATOM 30 N GLY A 4 -12.617 -3.746 -38.168 1.00 0.00 N ATOM 31 CA GLY A 4 -13.294 -4.420 -37.076 1.00 0.00 C ATOM 32 C GLY A 4 -12.329 -4.933 -36.025 1.00 0.00 C ATOM 33 O GLY A 4 -11.115 -4.918 -36.227 1.00 0.00 O ATOM 0 H GLY A 4 -11.641 -4.013 -38.298 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.001 -3.733 -36.611 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.873 -5.254 -37.471 1.00 0.00 H new ATOM 37 N SER A 5 -12.870 -5.386 -34.898 1.00 0.00 N ATOM 38 CA SER A 5 -12.049 -5.901 -33.809 1.00 0.00 C ATOM 39 C SER A 5 -12.860 -6.827 -32.907 1.00 0.00 C ATOM 40 O SER A 5 -13.936 -6.463 -32.433 1.00 0.00 O ATOM 41 CB SER A 5 -11.473 -4.746 -32.987 1.00 0.00 C ATOM 42 OG SER A 5 -10.671 -3.899 -33.791 1.00 0.00 O ATOM 0 H SER A 5 -13.873 -5.407 -34.716 1.00 0.00 H new ATOM 0 HA SER A 5 -11.229 -6.473 -34.244 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.285 -4.170 -32.544 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.878 -5.142 -32.164 1.00 0.00 H new ATOM 0 HG SER A 5 -10.471 -4.347 -34.639 1.00 0.00 H new ATOM 48 N SER A 6 -12.335 -8.026 -32.675 1.00 0.00 N ATOM 49 CA SER A 6 -13.011 -9.006 -31.834 1.00 0.00 C ATOM 50 C SER A 6 -12.042 -10.093 -31.381 1.00 0.00 C ATOM 51 O SER A 6 -11.004 -10.315 -32.003 1.00 0.00 O ATOM 52 CB SER A 6 -14.184 -9.635 -32.589 1.00 0.00 C ATOM 53 OG SER A 6 -15.315 -8.782 -32.576 1.00 0.00 O ATOM 0 H SER A 6 -11.444 -8.342 -33.058 1.00 0.00 H new ATOM 0 HA SER A 6 -13.391 -8.491 -30.952 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.890 -9.839 -33.619 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.441 -10.592 -32.135 1.00 0.00 H new ATOM 0 HG SER A 6 -15.029 -7.862 -32.395 1.00 0.00 H new ATOM 59 N GLY A 7 -12.389 -10.770 -30.290 1.00 0.00 N ATOM 60 CA GLY A 7 -11.540 -11.826 -29.770 1.00 0.00 C ATOM 61 C GLY A 7 -10.674 -11.359 -28.617 1.00 0.00 C ATOM 62 O GLY A 7 -9.577 -10.839 -28.824 1.00 0.00 O ATOM 0 H GLY A 7 -13.243 -10.606 -29.757 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.162 -12.658 -29.440 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.902 -12.202 -30.570 1.00 0.00 H new ATOM 66 N LYS A 8 -11.167 -11.542 -27.397 1.00 0.00 N ATOM 67 CA LYS A 8 -10.432 -11.136 -26.205 1.00 0.00 C ATOM 68 C LYS A 8 -10.805 -12.009 -25.011 1.00 0.00 C ATOM 69 O LYS A 8 -11.978 -12.170 -24.672 1.00 0.00 O ATOM 70 CB LYS A 8 -10.713 -9.666 -25.883 1.00 0.00 C ATOM 71 CG LYS A 8 -9.959 -8.694 -26.773 1.00 0.00 C ATOM 72 CD LYS A 8 -10.387 -7.258 -26.519 1.00 0.00 C ATOM 73 CE LYS A 8 -9.565 -6.277 -27.341 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.248 -5.990 -26.708 1.00 0.00 N ATOM 0 H LYS A 8 -12.074 -11.969 -27.208 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.368 -11.261 -26.405 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.783 -9.480 -25.980 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.449 -9.474 -24.843 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.888 -8.792 -26.595 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.133 -8.947 -27.819 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.443 -7.143 -26.763 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.278 -7.027 -25.459 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.407 -6.683 -28.340 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.121 -5.347 -27.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.718 -5.318 -27.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.398 -5.578 -25.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.706 -6.873 -26.618 1.00 0.00 H new ATOM 88 N PRO A 9 -9.786 -12.586 -24.357 1.00 0.00 N ATOM 89 CA PRO A 9 -9.983 -13.450 -23.190 1.00 0.00 C ATOM 90 C PRO A 9 -10.458 -12.674 -21.966 1.00 0.00 C ATOM 91 O PRO A 9 -10.100 -11.510 -21.781 1.00 0.00 O ATOM 92 CB PRO A 9 -8.591 -14.037 -22.944 1.00 0.00 C ATOM 93 CG PRO A 9 -7.651 -13.038 -23.525 1.00 0.00 C ATOM 94 CD PRO A 9 -8.363 -12.437 -24.706 1.00 0.00 C ATOM 0 HA PRO A 9 -10.753 -14.201 -23.365 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.405 -14.183 -21.880 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.481 -15.010 -23.423 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.394 -12.272 -22.793 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.718 -13.512 -23.831 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.092 -11.391 -24.849 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.119 -12.959 -25.631 1.00 0.00 H new ATOM 102 N ILE A 10 -11.265 -13.324 -21.135 1.00 0.00 N ATOM 103 CA ILE A 10 -11.787 -12.694 -19.928 1.00 0.00 C ATOM 104 C ILE A 10 -11.109 -13.250 -18.681 1.00 0.00 C ATOM 105 O ILE A 10 -11.173 -14.448 -18.407 1.00 0.00 O ATOM 106 CB ILE A 10 -13.309 -12.892 -19.803 1.00 0.00 C ATOM 107 CG1 ILE A 10 -13.822 -12.261 -18.507 1.00 0.00 C ATOM 108 CG2 ILE A 10 -13.656 -14.373 -19.851 1.00 0.00 C ATOM 109 CD1 ILE A 10 -14.205 -10.805 -18.655 1.00 0.00 C ATOM 0 H ILE A 10 -11.572 -14.287 -21.275 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.573 -11.628 -20.010 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.796 -12.397 -20.644 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.688 -12.823 -18.157 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.053 -12.350 -17.740 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.735 -14.497 -19.761 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.320 -14.795 -20.798 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.162 -14.889 -19.028 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.560 -10.423 -17.698 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.336 -10.231 -18.975 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.996 -10.711 -19.399 1.00 0.00 H new ATOM 121 N LYS A 11 -10.460 -12.370 -17.925 1.00 0.00 N ATOM 122 CA LYS A 11 -9.772 -12.770 -16.704 1.00 0.00 C ATOM 123 C LYS A 11 -10.753 -12.897 -15.543 1.00 0.00 C ATOM 124 O LYS A 11 -10.785 -12.050 -14.649 1.00 0.00 O ATOM 125 CB LYS A 11 -8.680 -11.757 -16.354 1.00 0.00 C ATOM 126 CG LYS A 11 -9.192 -10.334 -16.217 1.00 0.00 C ATOM 127 CD LYS A 11 -9.030 -9.556 -17.512 1.00 0.00 C ATOM 128 CE LYS A 11 -8.736 -8.087 -17.247 1.00 0.00 C ATOM 129 NZ LYS A 11 -9.873 -7.408 -16.565 1.00 0.00 N ATOM 0 H LYS A 11 -10.397 -11.374 -18.137 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.314 -13.744 -16.878 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.206 -12.055 -15.419 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.910 -11.785 -17.125 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.244 -10.351 -15.931 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.652 -9.827 -15.417 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.221 -9.990 -18.099 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.939 -9.645 -18.107 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.840 -8.001 -16.632 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.525 -7.583 -18.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.640 -6.405 -16.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.726 -7.482 -17.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.047 -7.862 -15.646 1.00 0.00 H new ATOM 143 N ILE A 12 -11.551 -13.959 -15.562 1.00 0.00 N ATOM 144 CA ILE A 12 -12.531 -14.196 -14.509 1.00 0.00 C ATOM 145 C ILE A 12 -11.883 -14.844 -13.290 1.00 0.00 C ATOM 146 O ILE A 12 -11.281 -15.914 -13.390 1.00 0.00 O ATOM 147 CB ILE A 12 -13.681 -15.094 -15.003 1.00 0.00 C ATOM 148 CG1 ILE A 12 -14.373 -14.456 -16.209 1.00 0.00 C ATOM 149 CG2 ILE A 12 -14.679 -15.340 -13.882 1.00 0.00 C ATOM 150 CD1 ILE A 12 -15.287 -15.405 -16.953 1.00 0.00 C ATOM 0 H ILE A 12 -11.538 -14.669 -16.294 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.935 -13.223 -14.229 1.00 0.00 H new ATOM 0 HB ILE A 12 -13.267 -16.054 -15.311 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -14.952 -13.596 -15.873 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.615 -14.081 -16.896 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -15.486 -15.976 -14.246 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -14.177 -15.832 -13.049 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -15.091 -14.388 -13.546 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -15.743 -14.885 -17.795 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.710 -16.254 -17.320 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -16.067 -15.761 -16.280 1.00 0.00 H new ATOM 162 N ARG A 13 -12.011 -14.190 -12.141 1.00 0.00 N ATOM 163 CA ARG A 13 -11.438 -14.702 -10.902 1.00 0.00 C ATOM 164 C ARG A 13 -11.961 -13.923 -9.698 1.00 0.00 C ATOM 165 O ARG A 13 -12.526 -12.840 -9.845 1.00 0.00 O ATOM 166 CB ARG A 13 -9.911 -14.623 -10.950 1.00 0.00 C ATOM 167 CG ARG A 13 -9.378 -13.204 -11.053 1.00 0.00 C ATOM 168 CD ARG A 13 -7.881 -13.151 -10.787 1.00 0.00 C ATOM 169 NE ARG A 13 -7.102 -13.477 -11.979 1.00 0.00 N ATOM 170 CZ ARG A 13 -6.784 -12.589 -12.914 1.00 0.00 C ATOM 171 NH1 ARG A 13 -7.176 -11.328 -12.798 1.00 0.00 N ATOM 172 NH2 ARG A 13 -6.071 -12.963 -13.970 1.00 0.00 N ATOM 0 H ARG A 13 -12.507 -13.304 -12.042 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.738 -15.745 -10.796 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.503 -15.091 -10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.552 -15.200 -11.803 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.587 -12.807 -12.046 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.898 -12.566 -10.339 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.610 -12.155 -10.438 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.630 -13.848 -9.988 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.785 -14.439 -12.100 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.724 -11.037 -11.988 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.930 -10.649 -13.518 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.768 -13.932 -14.063 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.827 -12.281 -14.688 1.00 0.00 H new ATOM 186 N GLY A 14 -11.767 -14.483 -8.508 1.00 0.00 N ATOM 187 CA GLY A 14 -12.225 -13.828 -7.297 1.00 0.00 C ATOM 188 C GLY A 14 -11.435 -12.573 -6.982 1.00 0.00 C ATOM 189 O GLY A 14 -10.213 -12.604 -6.835 1.00 0.00 O ATOM 0 H GLY A 14 -11.301 -15.378 -8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.279 -13.573 -7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.147 -14.522 -6.460 1.00 0.00 H new ATOM 193 N PRO A 15 -12.140 -11.436 -6.877 1.00 0.00 N ATOM 194 CA PRO A 15 -11.516 -10.144 -6.578 1.00 0.00 C ATOM 195 C PRO A 15 -10.994 -10.069 -5.147 1.00 0.00 C ATOM 196 O PRO A 15 -10.854 -11.089 -4.473 1.00 0.00 O ATOM 197 CB PRO A 15 -12.657 -9.144 -6.784 1.00 0.00 C ATOM 198 CG PRO A 15 -13.899 -9.934 -6.557 1.00 0.00 C ATOM 199 CD PRO A 15 -13.599 -11.326 -7.040 1.00 0.00 C ATOM 0 HA PRO A 15 -10.646 -9.956 -7.207 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.584 -8.311 -6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.635 -8.720 -7.788 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.172 -9.938 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -14.740 -9.505 -7.102 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.127 -12.078 -6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.899 -11.464 -8.079 1.00 0.00 H new ATOM 207 N SER A 16 -10.709 -8.854 -4.689 1.00 0.00 N ATOM 208 CA SER A 16 -10.199 -8.646 -3.339 1.00 0.00 C ATOM 209 C SER A 16 -8.878 -9.382 -3.138 1.00 0.00 C ATOM 210 O SER A 16 -8.671 -10.045 -2.120 1.00 0.00 O ATOM 211 CB SER A 16 -11.223 -9.121 -2.306 1.00 0.00 C ATOM 212 OG SER A 16 -12.374 -8.296 -2.312 1.00 0.00 O ATOM 0 H SER A 16 -10.823 -7.999 -5.233 1.00 0.00 H new ATOM 0 HA SER A 16 -10.024 -7.579 -3.203 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.509 -10.151 -2.520 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.773 -9.115 -1.313 1.00 0.00 H new ATOM 0 HG SER A 16 -13.013 -8.622 -1.644 1.00 0.00 H new ATOM 218 N HIS A 17 -7.985 -9.261 -4.116 1.00 0.00 N ATOM 219 CA HIS A 17 -6.683 -9.914 -4.047 1.00 0.00 C ATOM 220 C HIS A 17 -5.836 -9.321 -2.924 1.00 0.00 C ATOM 221 O HIS A 17 -5.874 -8.116 -2.674 1.00 0.00 O ATOM 222 CB HIS A 17 -5.949 -9.776 -5.381 1.00 0.00 C ATOM 223 CG HIS A 17 -6.847 -9.896 -6.574 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.197 -8.820 -7.363 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.467 -10.972 -7.111 1.00 0.00 C ATOM 226 CE1 HIS A 17 -7.995 -9.230 -8.333 1.00 0.00 C ATOM 227 NE2 HIS A 17 -8.174 -10.532 -8.203 1.00 0.00 N ATOM 0 H HIS A 17 -8.140 -8.717 -4.965 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.845 -10.971 -3.837 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.446 -8.810 -5.411 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.175 -10.541 -5.441 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.415 -11.988 -6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.427 -8.606 -9.102 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.745 -11.116 -8.814 1.00 0.00 H new ATOM 236 N CYS A 18 -5.074 -10.176 -2.250 1.00 0.00 N ATOM 237 CA CYS A 18 -4.220 -9.738 -1.153 1.00 0.00 C ATOM 238 C CYS A 18 -3.431 -8.491 -1.542 1.00 0.00 C ATOM 239 O CYS A 18 -2.805 -8.445 -2.601 1.00 0.00 O ATOM 240 CB CYS A 18 -3.258 -10.857 -0.750 1.00 0.00 C ATOM 241 SG CYS A 18 -2.108 -10.404 0.588 1.00 0.00 S ATOM 0 H CYS A 18 -5.031 -11.176 -2.445 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.859 -9.493 -0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.838 -11.725 -0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.681 -11.158 -1.624 1.00 0.00 H new ATOM 246 N ALA A 19 -3.466 -7.482 -0.678 1.00 0.00 N ATOM 247 CA ALA A 19 -2.754 -6.235 -0.930 1.00 0.00 C ATOM 248 C ALA A 19 -1.291 -6.345 -0.512 1.00 0.00 C ATOM 249 O ALA A 19 -0.635 -5.339 -0.244 1.00 0.00 O ATOM 250 CB ALA A 19 -3.429 -5.084 -0.199 1.00 0.00 C ATOM 0 H ALA A 19 -3.980 -7.504 0.203 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.785 -6.037 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.886 -4.159 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.456 -4.984 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.428 -5.283 0.873 1.00 0.00 H new ATOM 256 N GLY A 20 -0.786 -7.574 -0.457 1.00 0.00 N ATOM 257 CA GLY A 20 0.595 -7.792 -0.070 1.00 0.00 C ATOM 258 C GLY A 20 1.331 -8.700 -1.034 1.00 0.00 C ATOM 259 O GLY A 20 2.506 -8.481 -1.332 1.00 0.00 O ATOM 0 H GLY A 20 -1.309 -8.422 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.109 -6.833 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.625 -8.227 0.929 1.00 0.00 H new ATOM 263 N CYS A 21 0.641 -9.725 -1.522 1.00 0.00 N ATOM 264 CA CYS A 21 1.236 -10.673 -2.457 1.00 0.00 C ATOM 265 C CYS A 21 0.439 -10.729 -3.757 1.00 0.00 C ATOM 266 O CYS A 21 0.830 -11.403 -4.710 1.00 0.00 O ATOM 267 CB CYS A 21 1.306 -12.066 -1.828 1.00 0.00 C ATOM 268 SG CYS A 21 -0.318 -12.768 -1.394 1.00 0.00 S ATOM 0 H CYS A 21 -0.332 -9.921 -1.285 1.00 0.00 H new ATOM 0 HA CYS A 21 2.246 -10.334 -2.686 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.808 -12.741 -2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.921 -12.017 -0.929 1.00 0.00 H new ATOM 273 N LYS A 22 -0.681 -10.015 -3.788 1.00 0.00 N ATOM 274 CA LYS A 22 -1.534 -9.980 -4.970 1.00 0.00 C ATOM 275 C LYS A 22 -2.048 -11.375 -5.311 1.00 0.00 C ATOM 276 O LYS A 22 -1.923 -11.832 -6.447 1.00 0.00 O ATOM 277 CB LYS A 22 -0.767 -9.403 -6.162 1.00 0.00 C ATOM 278 CG LYS A 22 -0.657 -7.888 -6.138 1.00 0.00 C ATOM 279 CD LYS A 22 -1.992 -7.228 -6.438 1.00 0.00 C ATOM 280 CE LYS A 22 -2.161 -6.961 -7.926 1.00 0.00 C ATOM 281 NZ LYS A 22 -2.774 -8.120 -8.632 1.00 0.00 N ATOM 0 H LYS A 22 -1.019 -9.452 -3.007 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.388 -9.340 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.235 -9.832 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.262 -9.709 -7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.301 -7.563 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.083 -7.564 -6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.802 -7.868 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.067 -6.290 -5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.785 -6.078 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.189 -6.739 -8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.268 -7.786 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.030 -8.793 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.453 -8.591 -8.001 1.00 0.00 H new ATOM 295 N GLU A 23 -2.628 -12.046 -4.320 1.00 0.00 N ATOM 296 CA GLU A 23 -3.162 -13.388 -4.517 1.00 0.00 C ATOM 297 C GLU A 23 -4.618 -13.467 -4.067 1.00 0.00 C ATOM 298 O GLU A 23 -4.966 -13.010 -2.979 1.00 0.00 O ATOM 299 CB GLU A 23 -2.323 -14.412 -3.750 1.00 0.00 C ATOM 300 CG GLU A 23 -0.991 -14.725 -4.410 1.00 0.00 C ATOM 301 CD GLU A 23 -1.146 -15.190 -5.845 1.00 0.00 C ATOM 302 OE1 GLU A 23 -2.211 -15.752 -6.174 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.203 -14.991 -6.639 1.00 0.00 O ATOM 0 H GLU A 23 -2.740 -11.682 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.117 -13.616 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.141 -14.038 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.894 -15.335 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.360 -13.836 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.477 -15.496 -3.836 1.00 0.00 H new ATOM 310 N GLU A 24 -5.462 -14.049 -4.912 1.00 0.00 N ATOM 311 CA GLU A 24 -6.880 -14.186 -4.601 1.00 0.00 C ATOM 312 C GLU A 24 -7.078 -14.748 -3.196 1.00 0.00 C ATOM 313 O GLU A 24 -6.569 -15.820 -2.868 1.00 0.00 O ATOM 314 CB GLU A 24 -7.565 -15.094 -5.626 1.00 0.00 C ATOM 315 CG GLU A 24 -9.012 -15.408 -5.289 1.00 0.00 C ATOM 316 CD GLU A 24 -9.520 -16.648 -5.999 1.00 0.00 C ATOM 317 OE1 GLU A 24 -8.735 -17.608 -6.150 1.00 0.00 O ATOM 318 OE2 GLU A 24 -10.701 -16.659 -6.405 1.00 0.00 O ATOM 0 H GLU A 24 -5.189 -14.433 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.332 -13.195 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.524 -14.618 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.008 -16.028 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.109 -15.545 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.637 -14.557 -5.560 1.00 0.00 H new ATOM 325 N ILE A 25 -7.819 -14.016 -2.372 1.00 0.00 N ATOM 326 CA ILE A 25 -8.084 -14.440 -1.003 1.00 0.00 C ATOM 327 C ILE A 25 -9.399 -15.206 -0.909 1.00 0.00 C ATOM 328 O ILE A 25 -10.438 -14.737 -1.376 1.00 0.00 O ATOM 329 CB ILE A 25 -8.132 -13.239 -0.040 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.829 -12.442 -0.118 1.00 0.00 C ATOM 331 CG2 ILE A 25 -8.387 -13.711 1.384 1.00 0.00 C ATOM 332 CD1 ILE A 25 -6.914 -11.079 0.533 1.00 0.00 C ATOM 0 H ILE A 25 -8.247 -13.126 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.263 -15.095 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.953 -12.586 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.033 -13.014 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.550 -12.319 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.418 -12.851 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.340 -14.239 1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.586 -14.382 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.954 -10.571 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.687 -10.488 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.162 -11.195 1.588 1.00 0.00 H new ATOM 344 N LYS A 26 -9.348 -16.387 -0.302 1.00 0.00 N ATOM 345 CA LYS A 26 -10.536 -17.218 -0.144 1.00 0.00 C ATOM 346 C LYS A 26 -11.683 -16.417 0.464 1.00 0.00 C ATOM 347 O LYS A 26 -11.480 -15.319 0.982 1.00 0.00 O ATOM 348 CB LYS A 26 -10.222 -18.429 0.737 1.00 0.00 C ATOM 349 CG LYS A 26 -9.347 -19.467 0.055 1.00 0.00 C ATOM 350 CD LYS A 26 -9.249 -20.741 0.877 1.00 0.00 C ATOM 351 CE LYS A 26 -10.358 -21.720 0.522 1.00 0.00 C ATOM 352 NZ LYS A 26 -11.569 -21.515 1.364 1.00 0.00 N ATOM 0 H LYS A 26 -8.496 -16.790 0.089 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.841 -17.564 -1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.726 -18.088 1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.157 -18.898 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.755 -19.698 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.349 -19.057 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.280 -21.211 0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.304 -20.496 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.622 -21.604 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.996 -22.740 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.842 -22.417 1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.362 -20.816 2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.350 -21.169 0.771 1.00 0.00 H new ATOM 366 N HIS A 27 -12.888 -16.975 0.399 1.00 0.00 N ATOM 367 CA HIS A 27 -14.067 -16.314 0.946 1.00 0.00 C ATOM 368 C HIS A 27 -14.190 -16.573 2.444 1.00 0.00 C ATOM 369 O HIS A 27 -15.272 -16.879 2.944 1.00 0.00 O ATOM 370 CB HIS A 27 -15.328 -16.796 0.227 1.00 0.00 C ATOM 371 CG HIS A 27 -15.789 -18.150 0.671 1.00 0.00 C ATOM 372 ND1 HIS A 27 -15.202 -19.323 0.244 1.00 0.00 N ATOM 373 CD2 HIS A 27 -16.785 -18.515 1.512 1.00 0.00 C ATOM 374 CE1 HIS A 27 -15.819 -20.350 0.801 1.00 0.00 C ATOM 375 NE2 HIS A 27 -16.784 -19.886 1.575 1.00 0.00 N ATOM 0 H HIS A 27 -13.073 -17.883 -0.027 1.00 0.00 H new ATOM 0 HA HIS A 27 -13.957 -15.241 0.789 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -16.129 -16.076 0.393 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.138 -16.820 -0.846 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.456 -17.851 2.036 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.576 -21.391 0.649 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -17.424 -20.454 2.129 1.00 0.00 H new ATOM 384 N GLY A 28 -13.074 -16.450 3.155 1.00 0.00 N ATOM 385 CA GLY A 28 -13.078 -16.676 4.589 1.00 0.00 C ATOM 386 C GLY A 28 -11.840 -16.125 5.267 1.00 0.00 C ATOM 387 O GLY A 28 -11.900 -15.100 5.945 1.00 0.00 O ATOM 0 H GLY A 28 -12.166 -16.198 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.963 -16.212 5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.150 -17.746 4.785 1.00 0.00 H new ATOM 391 N GLN A 29 -10.714 -16.807 5.084 1.00 0.00 N ATOM 392 CA GLN A 29 -9.456 -16.380 5.685 1.00 0.00 C ATOM 393 C GLN A 29 -8.990 -15.055 5.091 1.00 0.00 C ATOM 394 O GLN A 29 -8.533 -15.002 3.950 1.00 0.00 O ATOM 395 CB GLN A 29 -8.381 -17.449 5.483 1.00 0.00 C ATOM 396 CG GLN A 29 -8.161 -17.824 4.026 1.00 0.00 C ATOM 397 CD GLN A 29 -7.336 -19.085 3.866 1.00 0.00 C ATOM 398 OE1 GLN A 29 -6.177 -19.034 3.453 1.00 0.00 O ATOM 399 NE2 GLN A 29 -7.929 -20.227 4.193 1.00 0.00 N ATOM 0 H GLN A 29 -10.647 -17.657 4.525 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.623 -16.239 6.753 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.441 -17.091 5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.660 -18.343 6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.127 -17.963 3.541 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.662 -17.001 3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.891 -20.223 4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.422 -21.108 4.106 1.00 0.00 H new ATOM 408 N SER A 30 -9.111 -13.987 5.873 1.00 0.00 N ATOM 409 CA SER A 30 -8.706 -12.660 5.422 1.00 0.00 C ATOM 410 C SER A 30 -8.481 -11.729 6.609 1.00 0.00 C ATOM 411 O SER A 30 -9.016 -11.949 7.697 1.00 0.00 O ATOM 412 CB SER A 30 -9.765 -12.070 4.490 1.00 0.00 C ATOM 413 OG SER A 30 -11.002 -11.906 5.162 1.00 0.00 O ATOM 0 H SER A 30 -9.486 -14.014 6.821 1.00 0.00 H new ATOM 0 HA SER A 30 -7.767 -12.759 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.424 -11.107 4.110 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.900 -12.723 3.628 1.00 0.00 H new ATOM 0 HG SER A 30 -11.662 -11.526 4.545 1.00 0.00 H new ATOM 419 N LEU A 31 -7.686 -10.687 6.392 1.00 0.00 N ATOM 420 CA LEU A 31 -7.389 -9.719 7.443 1.00 0.00 C ATOM 421 C LEU A 31 -7.751 -8.306 7.001 1.00 0.00 C ATOM 422 O LEU A 31 -7.112 -7.738 6.114 1.00 0.00 O ATOM 423 CB LEU A 31 -5.907 -9.784 7.819 1.00 0.00 C ATOM 424 CG LEU A 31 -5.544 -9.259 9.208 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.123 -9.658 9.575 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.707 -7.747 9.266 1.00 0.00 C ATOM 0 H LEU A 31 -7.235 -10.491 5.498 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.991 -9.972 8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.580 -10.821 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.340 -9.219 7.079 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.224 -9.706 9.933 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.882 -9.276 10.567 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.039 -10.745 9.575 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.428 -9.240 8.847 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.444 -7.391 10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.052 -7.282 8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.742 -7.484 9.048 1.00 0.00 H new ATOM 438 N LEU A 32 -8.779 -7.741 7.625 1.00 0.00 N ATOM 439 CA LEU A 32 -9.226 -6.392 7.297 1.00 0.00 C ATOM 440 C LEU A 32 -8.277 -5.348 7.876 1.00 0.00 C ATOM 441 O LEU A 32 -8.034 -5.317 9.082 1.00 0.00 O ATOM 442 CB LEU A 32 -10.642 -6.160 7.827 1.00 0.00 C ATOM 443 CG LEU A 32 -11.783 -6.538 6.881 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.719 -5.709 5.608 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.735 -8.024 6.556 1.00 0.00 C ATOM 0 H LEU A 32 -9.319 -8.196 8.361 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.229 -6.291 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.760 -6.726 8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.744 -5.106 8.084 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.729 -6.326 7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.539 -5.992 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.803 -4.651 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.769 -5.888 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.554 -8.276 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.785 -8.261 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.832 -8.601 7.476 1.00 0.00 H new ATOM 457 N ALA A 33 -7.744 -4.494 7.008 1.00 0.00 N ATOM 458 CA ALA A 33 -6.825 -3.446 7.434 1.00 0.00 C ATOM 459 C ALA A 33 -6.612 -2.419 6.327 1.00 0.00 C ATOM 460 O ALA A 33 -6.471 -2.774 5.156 1.00 0.00 O ATOM 461 CB ALA A 33 -5.495 -4.051 7.859 1.00 0.00 C ATOM 0 H ALA A 33 -7.933 -4.508 6.006 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.268 -2.934 8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.818 -3.257 8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.657 -4.740 8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.056 -4.590 7.020 1.00 0.00 H new ATOM 467 N LEU A 34 -6.591 -1.145 6.704 1.00 0.00 N ATOM 468 CA LEU A 34 -6.395 -0.066 5.743 1.00 0.00 C ATOM 469 C LEU A 34 -7.392 -0.174 4.593 1.00 0.00 C ATOM 470 O LEU A 34 -7.046 0.059 3.434 1.00 0.00 O ATOM 471 CB LEU A 34 -4.966 -0.093 5.198 1.00 0.00 C ATOM 472 CG LEU A 34 -3.876 0.405 6.148 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.542 -0.659 7.182 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.632 0.805 5.369 1.00 0.00 C ATOM 0 H LEU A 34 -6.707 -0.834 7.669 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.562 0.880 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.728 -1.117 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.933 0.510 4.291 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.251 1.285 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.765 -0.287 7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.434 -0.896 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.187 -1.558 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.867 1.157 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.255 -0.057 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.882 1.602 4.669 1.00 0.00 H new ATOM 486 N ASP A 35 -8.630 -0.527 4.921 1.00 0.00 N ATOM 487 CA ASP A 35 -9.678 -0.663 3.916 1.00 0.00 C ATOM 488 C ASP A 35 -9.246 -1.616 2.806 1.00 0.00 C ATOM 489 O ASP A 35 -9.722 -1.525 1.674 1.00 0.00 O ATOM 490 CB ASP A 35 -10.027 0.703 3.325 1.00 0.00 C ATOM 491 CG ASP A 35 -10.346 1.732 4.392 1.00 0.00 C ATOM 492 OD1 ASP A 35 -11.390 1.588 5.061 1.00 0.00 O ATOM 493 OD2 ASP A 35 -9.551 2.681 4.558 1.00 0.00 O ATOM 0 H ASP A 35 -8.932 -0.724 5.875 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.562 -1.077 4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.192 1.058 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.882 0.599 2.658 1.00 0.00 H new ATOM 498 N LYS A 36 -8.340 -2.530 3.137 1.00 0.00 N ATOM 499 CA LYS A 36 -7.843 -3.501 2.169 1.00 0.00 C ATOM 500 C LYS A 36 -7.956 -4.921 2.715 1.00 0.00 C ATOM 501 O LYS A 36 -8.430 -5.129 3.832 1.00 0.00 O ATOM 502 CB LYS A 36 -6.387 -3.195 1.811 1.00 0.00 C ATOM 503 CG LYS A 36 -6.235 -2.289 0.602 1.00 0.00 C ATOM 504 CD LYS A 36 -4.882 -1.597 0.590 1.00 0.00 C ATOM 505 CE LYS A 36 -4.780 -0.594 -0.548 1.00 0.00 C ATOM 506 NZ LYS A 36 -4.391 -1.246 -1.829 1.00 0.00 N ATOM 0 H LYS A 36 -7.935 -2.619 4.069 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.455 -3.427 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.902 -2.728 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.864 -4.132 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.353 -2.875 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.027 -1.541 0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.724 -1.088 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.092 -2.342 0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.738 -0.089 -0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.047 0.171 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.332 -0.529 -2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.465 -1.707 -1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.103 -1.959 -2.086 1.00 0.00 H new ATOM 520 N GLN A 37 -7.517 -5.892 1.922 1.00 0.00 N ATOM 521 CA GLN A 37 -7.569 -7.292 2.327 1.00 0.00 C ATOM 522 C GLN A 37 -6.187 -7.932 2.252 1.00 0.00 C ATOM 523 O GLN A 37 -5.602 -8.043 1.174 1.00 0.00 O ATOM 524 CB GLN A 37 -8.551 -8.064 1.445 1.00 0.00 C ATOM 525 CG GLN A 37 -10.010 -7.790 1.774 1.00 0.00 C ATOM 526 CD GLN A 37 -10.945 -8.835 1.196 1.00 0.00 C ATOM 527 OE1 GLN A 37 -10.563 -9.990 1.008 1.00 0.00 O ATOM 528 NE2 GLN A 37 -12.178 -8.433 0.910 1.00 0.00 N ATOM 0 H GLN A 37 -7.121 -5.736 0.995 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.912 -7.333 3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.368 -7.807 0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.358 -9.132 1.549 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.134 -7.756 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.287 -6.808 1.390 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.452 -7.466 1.082 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.851 -9.092 0.518 1.00 0.00 H new ATOM 537 N TRP A 38 -5.671 -8.350 3.402 1.00 0.00 N ATOM 538 CA TRP A 38 -4.357 -8.979 3.466 1.00 0.00 C ATOM 539 C TRP A 38 -4.446 -10.363 4.100 1.00 0.00 C ATOM 540 O TRP A 38 -5.398 -10.667 4.820 1.00 0.00 O ATOM 541 CB TRP A 38 -3.387 -8.102 4.259 1.00 0.00 C ATOM 542 CG TRP A 38 -3.540 -6.639 3.973 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.623 -5.857 4.259 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.580 -5.783 3.345 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.393 -4.567 3.846 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.147 -4.495 3.282 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.295 -5.979 2.830 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.473 -3.412 2.725 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.628 -4.903 2.278 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.217 -3.632 2.229 1.00 0.00 C ATOM 0 H TRP A 38 -6.142 -8.265 4.303 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.985 -9.090 2.447 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.540 -8.275 5.324 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.365 -8.405 4.031 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.527 -6.202 4.739 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.045 -3.789 3.944 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.832 -6.954 2.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.926 -2.432 2.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.365 -5.043 1.877 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.669 -2.811 1.791 1.00 0.00 H new ATOM 561 N HIS A 39 -3.448 -11.199 3.830 1.00 0.00 N ATOM 562 CA HIS A 39 -3.414 -12.551 4.376 1.00 0.00 C ATOM 563 C HIS A 39 -2.983 -12.535 5.839 1.00 0.00 C ATOM 564 O HIS A 39 -2.624 -11.489 6.380 1.00 0.00 O ATOM 565 CB HIS A 39 -2.463 -13.429 3.561 1.00 0.00 C ATOM 566 CG HIS A 39 -3.022 -13.849 2.237 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.248 -13.991 1.104 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.287 -14.159 1.868 1.00 0.00 C ATOM 569 CE1 HIS A 39 -3.013 -14.370 0.096 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.255 -14.479 0.533 1.00 0.00 N ATOM 0 H HIS A 39 -2.652 -10.964 3.237 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.420 -12.966 4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.532 -12.887 3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.216 -14.319 4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.159 -14.155 2.505 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.680 -14.559 -0.914 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.059 -14.756 -0.030 1.00 0.00 H new ATOM 578 N VAL A 40 -3.023 -13.702 6.475 1.00 0.00 N ATOM 579 CA VAL A 40 -2.636 -13.822 7.876 1.00 0.00 C ATOM 580 C VAL A 40 -1.119 -13.805 8.031 1.00 0.00 C ATOM 581 O VAL A 40 -0.600 -13.664 9.138 1.00 0.00 O ATOM 582 CB VAL A 40 -3.191 -15.115 8.502 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.840 -15.186 9.981 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.696 -15.202 8.298 1.00 0.00 C ATOM 0 H VAL A 40 -3.319 -14.577 6.043 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.061 -12.964 8.397 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.730 -15.967 8.003 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.240 -16.106 10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.756 -15.173 10.099 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.271 -14.329 10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.071 -16.122 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.177 -14.345 8.770 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.919 -15.201 7.231 1.00 0.00 H new ATOM 594 N SER A 41 -0.414 -13.951 6.913 1.00 0.00 N ATOM 595 CA SER A 41 1.044 -13.956 6.925 1.00 0.00 C ATOM 596 C SER A 41 1.598 -12.919 5.953 1.00 0.00 C ATOM 597 O SER A 41 2.753 -12.999 5.533 1.00 0.00 O ATOM 598 CB SER A 41 1.573 -15.345 6.563 1.00 0.00 C ATOM 599 OG SER A 41 2.982 -15.406 6.699 1.00 0.00 O ATOM 0 H SER A 41 -0.829 -14.067 5.988 1.00 0.00 H new ATOM 0 HA SER A 41 1.376 -13.700 7.931 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.110 -16.093 7.207 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.293 -15.589 5.538 1.00 0.00 H new ATOM 0 HG SER A 41 3.386 -14.617 6.280 1.00 0.00 H new ATOM 605 N CYS A 42 0.767 -11.945 5.599 1.00 0.00 N ATOM 606 CA CYS A 42 1.171 -10.891 4.676 1.00 0.00 C ATOM 607 C CYS A 42 1.074 -9.520 5.340 1.00 0.00 C ATOM 608 O CYS A 42 1.881 -8.630 5.072 1.00 0.00 O ATOM 609 CB CYS A 42 0.301 -10.924 3.418 1.00 0.00 C ATOM 610 SG CYS A 42 0.708 -12.276 2.267 1.00 0.00 S ATOM 0 H CYS A 42 -0.192 -11.863 5.938 1.00 0.00 H new ATOM 0 HA CYS A 42 2.210 -11.067 4.395 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.744 -11.016 3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.402 -9.973 2.895 1.00 0.00 H new ATOM 615 N PHE A 43 0.080 -9.358 6.207 1.00 0.00 N ATOM 616 CA PHE A 43 -0.124 -8.096 6.909 1.00 0.00 C ATOM 617 C PHE A 43 0.960 -7.878 7.960 1.00 0.00 C ATOM 618 O PHE A 43 0.787 -8.225 9.129 1.00 0.00 O ATOM 619 CB PHE A 43 -1.504 -8.073 7.569 1.00 0.00 C ATOM 620 CG PHE A 43 -1.843 -6.754 8.203 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.874 -5.594 7.446 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.130 -6.675 9.557 1.00 0.00 C ATOM 623 CE1 PHE A 43 -2.186 -4.379 8.027 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.443 -5.463 10.142 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.470 -4.313 9.376 1.00 0.00 C ATOM 0 H PHE A 43 -0.597 -10.085 6.440 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.065 -7.288 6.179 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.260 -8.313 6.821 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.548 -8.854 8.328 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.652 -5.639 6.390 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.109 -7.570 10.161 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.207 -3.482 7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.666 -5.414 11.198 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.713 -3.365 9.832 1.00 0.00 H new ATOM 635 N LYS A 44 2.078 -7.299 7.537 1.00 0.00 N ATOM 636 CA LYS A 44 3.191 -7.032 8.440 1.00 0.00 C ATOM 637 C LYS A 44 3.735 -5.622 8.231 1.00 0.00 C ATOM 638 O LYS A 44 3.403 -4.956 7.250 1.00 0.00 O ATOM 639 CB LYS A 44 4.307 -8.057 8.224 1.00 0.00 C ATOM 640 CG LYS A 44 4.651 -8.283 6.762 1.00 0.00 C ATOM 641 CD LYS A 44 5.782 -9.286 6.604 1.00 0.00 C ATOM 642 CE LYS A 44 5.773 -9.922 5.222 1.00 0.00 C ATOM 643 NZ LYS A 44 6.157 -8.949 4.162 1.00 0.00 N ATOM 0 H LYS A 44 2.238 -7.005 6.573 1.00 0.00 H new ATOM 0 HA LYS A 44 2.824 -7.113 9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.201 -7.725 8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.008 -9.006 8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.769 -8.641 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.936 -7.336 6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.737 -8.788 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.690 -10.062 7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.462 -10.767 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.779 -10.317 5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.139 -9.420 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.485 -8.155 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.115 -8.591 4.350 1.00 0.00 H new ATOM 657 N CYS A 45 4.573 -5.173 9.159 1.00 0.00 N ATOM 658 CA CYS A 45 5.164 -3.843 9.077 1.00 0.00 C ATOM 659 C CYS A 45 5.749 -3.592 7.690 1.00 0.00 C ATOM 660 O CYS A 45 5.881 -4.514 6.886 1.00 0.00 O ATOM 661 CB CYS A 45 6.253 -3.680 10.139 1.00 0.00 C ATOM 662 SG CYS A 45 6.771 -1.955 10.414 1.00 0.00 S ATOM 0 H CYS A 45 4.858 -5.711 9.977 1.00 0.00 H new ATOM 0 HA CYS A 45 4.377 -3.111 9.258 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.892 -4.094 11.080 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.123 -4.267 9.845 1.00 0.00 H new ATOM 667 N GLN A 46 6.097 -2.338 7.419 1.00 0.00 N ATOM 668 CA GLN A 46 6.668 -1.967 6.129 1.00 0.00 C ATOM 669 C GLN A 46 8.152 -1.643 6.264 1.00 0.00 C ATOM 670 O GLN A 46 8.893 -1.654 5.280 1.00 0.00 O ATOM 671 CB GLN A 46 5.922 -0.765 5.546 1.00 0.00 C ATOM 672 CG GLN A 46 6.471 -0.301 4.206 1.00 0.00 C ATOM 673 CD GLN A 46 6.096 -1.229 3.069 1.00 0.00 C ATOM 674 OE1 GLN A 46 6.964 -1.766 2.378 1.00 0.00 O ATOM 675 NE2 GLN A 46 4.798 -1.425 2.867 1.00 0.00 N ATOM 0 H GLN A 46 5.994 -1.563 8.074 1.00 0.00 H new ATOM 0 HA GLN A 46 6.561 -2.816 5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.869 -1.023 5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.971 0.061 6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.097 0.700 3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.557 -0.229 4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.113 -0.960 3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.486 -2.040 2.116 1.00 0.00 H new ATOM 684 N THR A 47 8.582 -1.355 7.488 1.00 0.00 N ATOM 685 CA THR A 47 9.977 -1.026 7.751 1.00 0.00 C ATOM 686 C THR A 47 10.750 -2.251 8.228 1.00 0.00 C ATOM 687 O THR A 47 11.901 -2.458 7.845 1.00 0.00 O ATOM 688 CB THR A 47 10.102 0.088 8.807 1.00 0.00 C ATOM 689 OG1 THR A 47 9.527 1.302 8.309 1.00 0.00 O ATOM 690 CG2 THR A 47 11.560 0.325 9.173 1.00 0.00 C ATOM 0 H THR A 47 7.983 -1.343 8.314 1.00 0.00 H new ATOM 0 HA THR A 47 10.402 -0.675 6.811 1.00 0.00 H new ATOM 0 HB THR A 47 9.565 -0.228 9.702 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.990 2.070 8.705 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.624 1.116 9.920 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.987 -0.592 9.578 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.115 0.621 8.283 1.00 0.00 H new ATOM 698 N CYS A 48 10.109 -3.060 9.064 1.00 0.00 N ATOM 699 CA CYS A 48 10.735 -4.266 9.593 1.00 0.00 C ATOM 700 C CYS A 48 10.105 -5.517 8.989 1.00 0.00 C ATOM 701 O CYS A 48 10.711 -6.588 8.981 1.00 0.00 O ATOM 702 CB CYS A 48 10.610 -4.304 11.118 1.00 0.00 C ATOM 703 SG CYS A 48 8.901 -4.488 11.719 1.00 0.00 S ATOM 0 H CYS A 48 9.155 -2.902 9.390 1.00 0.00 H new ATOM 0 HA CYS A 48 11.790 -4.246 9.322 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.209 -5.130 11.501 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.032 -3.387 11.529 1.00 0.00 H new ATOM 708 N SER A 49 8.884 -5.372 8.483 1.00 0.00 N ATOM 709 CA SER A 49 8.169 -6.491 7.880 1.00 0.00 C ATOM 710 C SER A 49 7.875 -7.571 8.917 1.00 0.00 C ATOM 711 O SER A 49 8.190 -8.744 8.715 1.00 0.00 O ATOM 712 CB SER A 49 8.983 -7.082 6.728 1.00 0.00 C ATOM 713 OG SER A 49 8.662 -6.451 5.500 1.00 0.00 O ATOM 0 H SER A 49 8.370 -4.491 8.479 1.00 0.00 H new ATOM 0 HA SER A 49 7.221 -6.118 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.047 -6.965 6.933 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.788 -8.152 6.652 1.00 0.00 H new ATOM 0 HG SER A 49 9.197 -6.846 4.780 1.00 0.00 H new ATOM 719 N VAL A 50 7.270 -7.166 10.029 1.00 0.00 N ATOM 720 CA VAL A 50 6.932 -8.097 11.098 1.00 0.00 C ATOM 721 C VAL A 50 5.428 -8.339 11.162 1.00 0.00 C ATOM 722 O VAL A 50 4.639 -7.395 11.198 1.00 0.00 O ATOM 723 CB VAL A 50 7.416 -7.581 12.466 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.623 -6.353 12.885 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.312 -8.677 13.516 1.00 0.00 C ATOM 0 H VAL A 50 7.004 -6.199 10.213 1.00 0.00 H new ATOM 0 HA VAL A 50 7.439 -9.035 10.872 1.00 0.00 H new ATOM 0 HB VAL A 50 8.464 -7.294 12.376 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.979 -6.003 13.854 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.754 -5.565 12.144 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.566 -6.610 12.958 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.658 -8.295 14.476 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.274 -8.998 13.606 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.929 -9.525 13.219 1.00 0.00 H new ATOM 735 N ILE A 51 5.038 -9.609 11.176 1.00 0.00 N ATOM 736 CA ILE A 51 3.629 -9.975 11.237 1.00 0.00 C ATOM 737 C ILE A 51 2.896 -9.162 12.298 1.00 0.00 C ATOM 738 O ILE A 51 3.284 -9.152 13.467 1.00 0.00 O ATOM 739 CB ILE A 51 3.448 -11.474 11.539 1.00 0.00 C ATOM 740 CG1 ILE A 51 4.115 -12.319 10.452 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.971 -11.817 11.654 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.423 -12.232 9.109 1.00 0.00 C ATOM 0 H ILE A 51 5.679 -10.402 11.146 1.00 0.00 H new ATOM 0 HA ILE A 51 3.204 -9.757 10.257 1.00 0.00 H new ATOM 0 HB ILE A 51 3.927 -11.698 12.492 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.151 -11.999 10.339 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.136 -13.360 10.774 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.860 -12.880 11.868 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.524 -11.236 12.461 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.469 -11.581 10.716 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.950 -12.856 8.387 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.395 -12.580 9.206 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.425 -11.198 8.765 1.00 0.00 H new ATOM 754 N LEU A 52 1.832 -8.482 11.885 1.00 0.00 N ATOM 755 CA LEU A 52 1.041 -7.666 12.800 1.00 0.00 C ATOM 756 C LEU A 52 -0.312 -8.313 13.075 1.00 0.00 C ATOM 757 O LEU A 52 -1.178 -8.363 12.201 1.00 0.00 O ATOM 758 CB LEU A 52 0.842 -6.264 12.223 1.00 0.00 C ATOM 759 CG LEU A 52 2.113 -5.517 11.818 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.792 -4.424 10.811 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.800 -4.932 13.044 1.00 0.00 C ATOM 0 H LEU A 52 1.497 -8.480 10.922 1.00 0.00 H new ATOM 0 HA LEU A 52 1.584 -7.590 13.742 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.196 -6.341 11.348 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.310 -5.662 12.960 1.00 0.00 H new ATOM 0 HG LEU A 52 2.795 -6.226 11.348 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.709 -3.903 10.535 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.345 -4.868 9.922 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.092 -3.716 11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.703 -4.404 12.738 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.124 -4.237 13.543 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.065 -5.736 13.731 1.00 0.00 H new ATOM 773 N THR A 53 -0.490 -8.807 14.297 1.00 0.00 N ATOM 774 CA THR A 53 -1.738 -9.449 14.688 1.00 0.00 C ATOM 775 C THR A 53 -2.325 -8.796 15.934 1.00 0.00 C ATOM 776 O THR A 53 -3.537 -8.614 16.038 1.00 0.00 O ATOM 777 CB THR A 53 -1.536 -10.952 14.957 1.00 0.00 C ATOM 778 OG1 THR A 53 -0.576 -11.139 16.002 1.00 0.00 O ATOM 779 CG2 THR A 53 -1.068 -11.669 13.699 1.00 0.00 C ATOM 0 H THR A 53 0.216 -8.774 15.033 1.00 0.00 H new ATOM 0 HA THR A 53 -2.431 -9.326 13.856 1.00 0.00 H new ATOM 0 HB THR A 53 -2.493 -11.375 15.263 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.455 -12.097 16.168 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.932 -12.729 13.914 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.814 -11.550 12.914 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.122 -11.242 13.367 1.00 0.00 H new ATOM 787 N GLY A 54 -1.457 -8.446 16.879 1.00 0.00 N ATOM 788 CA GLY A 54 -1.910 -7.817 18.105 1.00 0.00 C ATOM 789 C GLY A 54 -2.096 -6.320 17.955 1.00 0.00 C ATOM 790 O GLY A 54 -3.193 -5.852 17.652 1.00 0.00 O ATOM 0 H GLY A 54 -0.449 -8.587 16.817 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.853 -8.268 18.414 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.188 -8.013 18.898 1.00 0.00 H new ATOM 794 N GLU A 55 -1.021 -5.567 18.169 1.00 0.00 N ATOM 795 CA GLU A 55 -1.073 -4.114 18.057 1.00 0.00 C ATOM 796 C GLU A 55 -0.324 -3.637 16.816 1.00 0.00 C ATOM 797 O GLU A 55 0.762 -4.127 16.506 1.00 0.00 O ATOM 798 CB GLU A 55 -0.477 -3.463 19.307 1.00 0.00 C ATOM 799 CG GLU A 55 -1.323 -3.655 20.555 1.00 0.00 C ATOM 800 CD GLU A 55 -0.613 -3.202 21.816 1.00 0.00 C ATOM 801 OE1 GLU A 55 0.303 -3.920 22.271 1.00 0.00 O ATOM 802 OE2 GLU A 55 -0.972 -2.132 22.349 1.00 0.00 O ATOM 0 H GLU A 55 -0.105 -5.939 18.420 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.118 -3.819 17.965 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.516 -3.877 19.484 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.350 -2.396 19.125 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.254 -3.099 20.447 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.589 -4.708 20.651 1.00 0.00 H new ATOM 809 N TYR A 56 -0.913 -2.678 16.110 1.00 0.00 N ATOM 810 CA TYR A 56 -0.304 -2.135 14.901 1.00 0.00 C ATOM 811 C TYR A 56 -0.815 -0.726 14.619 1.00 0.00 C ATOM 812 O TYR A 56 -1.941 -0.379 14.977 1.00 0.00 O ATOM 813 CB TYR A 56 -0.595 -3.045 13.706 1.00 0.00 C ATOM 814 CG TYR A 56 -1.886 -2.712 12.992 1.00 0.00 C ATOM 815 CD1 TYR A 56 -1.931 -1.714 12.027 1.00 0.00 C ATOM 816 CD2 TYR A 56 -3.060 -3.396 13.282 1.00 0.00 C ATOM 817 CE1 TYR A 56 -3.108 -1.406 11.372 1.00 0.00 C ATOM 818 CE2 TYR A 56 -4.241 -3.095 12.632 1.00 0.00 C ATOM 819 CZ TYR A 56 -4.260 -2.099 11.678 1.00 0.00 C ATOM 820 OH TYR A 56 -5.434 -1.796 11.028 1.00 0.00 O ATOM 0 H TYR A 56 -1.811 -2.261 16.354 1.00 0.00 H new ATOM 0 HA TYR A 56 0.774 -2.086 15.058 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.231 -2.976 12.998 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.635 -4.079 14.049 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.030 -1.169 11.784 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.049 -4.176 14.028 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.125 -0.627 10.624 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.145 -3.637 12.869 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.151 -2.377 11.359 1.00 0.00 H new ATOM 830 N ILE A 57 0.020 0.081 13.973 1.00 0.00 N ATOM 831 CA ILE A 57 -0.347 1.452 13.640 1.00 0.00 C ATOM 832 C ILE A 57 -0.201 1.712 12.145 1.00 0.00 C ATOM 833 O ILE A 57 0.791 1.321 11.530 1.00 0.00 O ATOM 834 CB ILE A 57 0.513 2.468 14.413 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.806 1.953 15.824 1.00 0.00 C ATOM 836 CG2 ILE A 57 -0.186 3.818 14.471 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.033 2.576 16.452 1.00 0.00 C ATOM 0 H ILE A 57 0.955 -0.191 13.670 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.391 1.579 13.928 1.00 0.00 H new ATOM 0 HB ILE A 57 1.460 2.593 13.888 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.057 2.149 16.460 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.936 0.871 15.788 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.435 4.526 15.021 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.348 4.188 13.458 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.146 3.709 14.975 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.180 2.164 17.451 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.907 2.358 15.838 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.898 3.655 16.521 1.00 0.00 H new ATOM 849 N SER A 58 -1.196 2.377 11.566 1.00 0.00 N ATOM 850 CA SER A 58 -1.180 2.688 10.141 1.00 0.00 C ATOM 851 C SER A 58 -0.769 4.139 9.907 1.00 0.00 C ATOM 852 O SER A 58 -1.261 5.051 10.571 1.00 0.00 O ATOM 853 CB SER A 58 -2.557 2.431 9.526 1.00 0.00 C ATOM 854 OG SER A 58 -2.677 3.063 8.263 1.00 0.00 O ATOM 0 H SER A 58 -2.023 2.711 12.061 1.00 0.00 H new ATOM 0 HA SER A 58 -0.448 2.039 9.660 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.715 1.358 9.416 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.333 2.801 10.196 1.00 0.00 H new ATOM 0 HG SER A 58 -3.609 3.019 7.963 1.00 0.00 H new ATOM 860 N LYS A 59 0.137 4.344 8.957 1.00 0.00 N ATOM 861 CA LYS A 59 0.616 5.682 8.632 1.00 0.00 C ATOM 862 C LYS A 59 0.555 5.932 7.129 1.00 0.00 C ATOM 863 O LYS A 59 0.965 5.087 6.333 1.00 0.00 O ATOM 864 CB LYS A 59 2.050 5.869 9.133 1.00 0.00 C ATOM 865 CG LYS A 59 2.412 7.317 9.417 1.00 0.00 C ATOM 866 CD LYS A 59 2.886 8.029 8.161 1.00 0.00 C ATOM 867 CE LYS A 59 2.732 9.537 8.284 1.00 0.00 C ATOM 868 NZ LYS A 59 1.301 9.948 8.318 1.00 0.00 N ATOM 0 H LYS A 59 0.555 3.600 8.398 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.033 6.403 9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.187 5.284 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.740 5.470 8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.545 7.836 9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.194 7.356 10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.931 7.783 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.317 7.673 7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.230 9.880 9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.229 10.022 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.069 10.469 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.699 9.103 8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.135 10.559 9.143 1.00 0.00 H new ATOM 882 N ASP A 60 0.043 7.097 6.748 1.00 0.00 N ATOM 883 CA ASP A 60 -0.069 7.459 5.339 1.00 0.00 C ATOM 884 C ASP A 60 -0.475 6.252 4.499 1.00 0.00 C ATOM 885 O ASP A 60 -0.062 6.117 3.348 1.00 0.00 O ATOM 886 CB ASP A 60 1.256 8.028 4.830 1.00 0.00 C ATOM 887 CG ASP A 60 1.075 8.917 3.615 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.688 8.394 2.549 1.00 0.00 O ATOM 889 OD2 ASP A 60 1.319 10.136 3.731 1.00 0.00 O ATOM 0 H ASP A 60 -0.301 7.807 7.395 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.843 8.221 5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.733 8.599 5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.928 7.207 4.579 1.00 0.00 H new ATOM 894 N GLY A 61 -1.286 5.375 5.084 1.00 0.00 N ATOM 895 CA GLY A 61 -1.733 4.190 4.375 1.00 0.00 C ATOM 896 C GLY A 61 -0.681 3.099 4.349 1.00 0.00 C ATOM 897 O GLY A 61 -0.518 2.407 3.344 1.00 0.00 O ATOM 0 H GLY A 61 -1.641 5.464 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.638 3.807 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.997 4.460 3.353 1.00 0.00 H new ATOM 901 N VAL A 62 0.037 2.945 5.457 1.00 0.00 N ATOM 902 CA VAL A 62 1.080 1.931 5.557 1.00 0.00 C ATOM 903 C VAL A 62 1.126 1.326 6.956 1.00 0.00 C ATOM 904 O VAL A 62 1.224 2.031 7.961 1.00 0.00 O ATOM 905 CB VAL A 62 2.464 2.513 5.216 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.521 1.419 5.222 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.427 3.222 3.870 1.00 0.00 C ATOM 0 H VAL A 62 -0.085 3.509 6.298 1.00 0.00 H new ATOM 0 HA VAL A 62 0.834 1.152 4.835 1.00 0.00 H new ATOM 0 HB VAL A 62 2.729 3.244 5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.492 1.850 4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.565 0.961 6.210 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.265 0.661 4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.414 3.627 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.140 2.513 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.701 4.034 3.906 1.00 0.00 H new ATOM 917 N PRO A 63 1.053 -0.011 7.025 1.00 0.00 N ATOM 918 CA PRO A 63 1.085 -0.741 8.296 1.00 0.00 C ATOM 919 C PRO A 63 2.455 -0.683 8.963 1.00 0.00 C ATOM 920 O PRO A 63 3.474 -0.971 8.335 1.00 0.00 O ATOM 921 CB PRO A 63 0.749 -2.178 7.888 1.00 0.00 C ATOM 922 CG PRO A 63 1.169 -2.275 6.462 1.00 0.00 C ATOM 923 CD PRO A 63 0.934 -0.914 5.868 1.00 0.00 C ATOM 0 HA PRO A 63 0.395 -0.318 9.027 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.281 -2.900 8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.315 -2.383 8.002 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.218 -2.560 6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.592 -3.035 5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.669 -0.679 5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.049 -0.843 5.402 1.00 0.00 H new ATOM 931 N TYR A 64 2.472 -0.310 10.238 1.00 0.00 N ATOM 932 CA TYR A 64 3.717 -0.213 10.990 1.00 0.00 C ATOM 933 C TYR A 64 3.543 -0.754 12.405 1.00 0.00 C ATOM 934 O TYR A 64 2.443 -0.736 12.959 1.00 0.00 O ATOM 935 CB TYR A 64 4.194 1.239 11.042 1.00 0.00 C ATOM 936 CG TYR A 64 4.657 1.773 9.705 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.781 1.251 9.078 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.968 2.799 9.069 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.208 1.737 7.857 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.387 3.290 7.847 1.00 0.00 C ATOM 941 CZ TYR A 64 5.508 2.755 7.245 1.00 0.00 C ATOM 942 OH TYR A 64 5.929 3.241 6.028 1.00 0.00 O ATOM 0 H TYR A 64 1.637 -0.070 10.772 1.00 0.00 H new ATOM 0 HA TYR A 64 4.467 -0.817 10.480 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.383 1.866 11.413 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.012 1.319 11.758 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.331 0.452 9.553 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.091 3.220 9.538 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.086 1.321 7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.841 4.088 7.366 1.00 0.00 H new ATOM 0 HH TYR A 64 5.325 3.955 5.734 1.00 0.00 H new ATOM 952 N CYS A 65 4.637 -1.234 12.987 1.00 0.00 N ATOM 953 CA CYS A 65 4.608 -1.781 14.338 1.00 0.00 C ATOM 954 C CYS A 65 4.916 -0.699 15.369 1.00 0.00 C ATOM 955 O CYS A 65 5.376 0.388 15.023 1.00 0.00 O ATOM 956 CB CYS A 65 5.613 -2.927 14.469 1.00 0.00 C ATOM 957 SG CYS A 65 7.343 -2.434 14.188 1.00 0.00 S ATOM 0 H CYS A 65 5.555 -1.255 12.544 1.00 0.00 H new ATOM 0 HA CYS A 65 3.605 -2.164 14.527 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.527 -3.359 15.466 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.350 -3.710 13.758 1.00 0.00 H new ATOM 962 N GLU A 66 4.660 -1.007 16.637 1.00 0.00 N ATOM 963 CA GLU A 66 4.910 -0.060 17.718 1.00 0.00 C ATOM 964 C GLU A 66 6.403 0.225 17.856 1.00 0.00 C ATOM 965 O GLU A 66 6.812 1.079 18.643 1.00 0.00 O ATOM 966 CB GLU A 66 4.359 -0.603 19.038 1.00 0.00 C ATOM 967 CG GLU A 66 2.888 -0.979 18.975 1.00 0.00 C ATOM 968 CD GLU A 66 2.192 -0.837 20.314 1.00 0.00 C ATOM 969 OE1 GLU A 66 1.668 0.261 20.596 1.00 0.00 O ATOM 970 OE2 GLU A 66 2.169 -1.823 21.079 1.00 0.00 O ATOM 0 H GLU A 66 4.280 -1.904 16.941 1.00 0.00 H new ATOM 0 HA GLU A 66 4.400 0.873 17.476 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.937 -1.480 19.330 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.501 0.146 19.817 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.387 -0.348 18.241 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.794 -2.008 18.628 1.00 0.00 H new ATOM 977 N SER A 67 7.212 -0.497 17.087 1.00 0.00 N ATOM 978 CA SER A 67 8.659 -0.325 17.126 1.00 0.00 C ATOM 979 C SER A 67 9.107 0.740 16.130 1.00 0.00 C ATOM 980 O SER A 67 9.515 1.835 16.516 1.00 0.00 O ATOM 981 CB SER A 67 9.360 -1.651 16.822 1.00 0.00 C ATOM 982 OG SER A 67 10.726 -1.604 17.196 1.00 0.00 O ATOM 0 H SER A 67 6.889 -1.207 16.429 1.00 0.00 H new ATOM 0 HA SER A 67 8.934 0.002 18.129 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.861 -2.460 17.356 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.279 -1.873 15.758 1.00 0.00 H new ATOM 0 HG SER A 67 11.151 -2.464 16.993 1.00 0.00 H new ATOM 988 N ASP A 68 9.028 0.410 14.845 1.00 0.00 N ATOM 989 CA ASP A 68 9.424 1.337 13.792 1.00 0.00 C ATOM 990 C ASP A 68 8.623 2.633 13.880 1.00 0.00 C ATOM 991 O ASP A 68 9.191 3.716 14.029 1.00 0.00 O ATOM 992 CB ASP A 68 9.228 0.695 12.418 1.00 0.00 C ATOM 993 CG ASP A 68 10.197 -0.445 12.168 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.351 -0.354 12.635 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.801 -1.426 11.505 1.00 0.00 O ATOM 0 H ASP A 68 8.693 -0.493 14.508 1.00 0.00 H new ATOM 0 HA ASP A 68 10.480 1.573 13.927 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.206 0.324 12.336 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.355 1.453 11.645 1.00 0.00 H new ATOM 1000 N TYR A 69 7.304 2.515 13.784 1.00 0.00 N ATOM 1001 CA TYR A 69 6.426 3.677 13.849 1.00 0.00 C ATOM 1002 C TYR A 69 6.849 4.618 14.974 1.00 0.00 C ATOM 1003 O TYR A 69 7.079 5.807 14.751 1.00 0.00 O ATOM 1004 CB TYR A 69 4.976 3.236 14.057 1.00 0.00 C ATOM 1005 CG TYR A 69 3.980 4.370 13.969 1.00 0.00 C ATOM 1006 CD1 TYR A 69 3.905 5.334 14.967 1.00 0.00 C ATOM 1007 CD2 TYR A 69 3.114 4.479 12.888 1.00 0.00 C ATOM 1008 CE1 TYR A 69 2.996 6.372 14.892 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.202 5.513 12.804 1.00 0.00 C ATOM 1010 CZ TYR A 69 2.147 6.457 13.808 1.00 0.00 C ATOM 1011 OH TYR A 69 1.241 7.490 13.728 1.00 0.00 O ATOM 0 H TYR A 69 6.819 1.626 13.661 1.00 0.00 H new ATOM 0 HA TYR A 69 6.504 4.213 12.903 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.723 2.483 13.311 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.886 2.760 15.033 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.569 5.271 15.816 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.155 3.742 12.099 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.950 7.112 15.677 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.536 5.582 11.957 1.00 0.00 H new ATOM 0 HH TYR A 69 0.720 7.405 12.903 1.00 0.00 H new ATOM 1021 N HIS A 70 6.951 4.075 16.183 1.00 0.00 N ATOM 1022 CA HIS A 70 7.348 4.864 17.344 1.00 0.00 C ATOM 1023 C HIS A 70 8.734 5.468 17.142 1.00 0.00 C ATOM 1024 O HIS A 70 9.087 6.462 17.775 1.00 0.00 O ATOM 1025 CB HIS A 70 7.334 3.998 18.604 1.00 0.00 C ATOM 1026 CG HIS A 70 5.963 3.777 19.164 1.00 0.00 C ATOM 1027 ND1 HIS A 70 5.698 3.750 20.517 1.00 0.00 N ATOM 1028 CD2 HIS A 70 4.776 3.574 18.546 1.00 0.00 C ATOM 1029 CE1 HIS A 70 4.408 3.537 20.706 1.00 0.00 C ATOM 1030 NE2 HIS A 70 3.826 3.428 19.526 1.00 0.00 N ATOM 0 H HIS A 70 6.764 3.093 16.384 1.00 0.00 H new ATOM 0 HA HIS A 70 6.631 5.677 17.463 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.784 3.032 18.376 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.957 4.468 19.365 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.608 3.534 17.480 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.913 3.464 21.663 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.832 3.262 19.368 1.00 0.00 H new ATOM 1039 N ALA A 71 9.516 4.859 16.257 1.00 0.00 N ATOM 1040 CA ALA A 71 10.863 5.337 15.971 1.00 0.00 C ATOM 1041 C ALA A 71 10.868 6.282 14.774 1.00 0.00 C ATOM 1042 O ALA A 71 11.782 7.091 14.615 1.00 0.00 O ATOM 1043 CB ALA A 71 11.799 4.163 15.722 1.00 0.00 C ATOM 0 H ALA A 71 9.240 4.033 15.726 1.00 0.00 H new ATOM 0 HA ALA A 71 11.216 5.891 16.840 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.801 4.535 15.510 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.828 3.527 16.607 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.439 3.585 14.871 1.00 0.00 H new ATOM 1049 N GLN A 72 9.842 6.173 13.936 1.00 0.00 N ATOM 1050 CA GLN A 72 9.730 7.018 12.753 1.00 0.00 C ATOM 1051 C GLN A 72 8.956 8.294 13.066 1.00 0.00 C ATOM 1052 O GLN A 72 9.470 9.400 12.902 1.00 0.00 O ATOM 1053 CB GLN A 72 9.043 6.255 11.619 1.00 0.00 C ATOM 1054 CG GLN A 72 10.013 5.549 10.685 1.00 0.00 C ATOM 1055 CD GLN A 72 9.359 5.105 9.391 1.00 0.00 C ATOM 1056 OE1 GLN A 72 9.568 5.708 8.338 1.00 0.00 O ATOM 1057 NE2 GLN A 72 8.561 4.046 9.464 1.00 0.00 N ATOM 0 H GLN A 72 9.077 5.509 14.054 1.00 0.00 H new ATOM 0 HA GLN A 72 10.736 7.294 12.438 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.363 5.519 12.048 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.436 6.951 11.040 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.844 6.217 10.457 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.433 4.680 11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.417 3.577 10.358 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.093 3.702 8.626 1.00 0.00 H new ATOM 1066 N PHE A 73 7.716 8.132 13.518 1.00 0.00 N ATOM 1067 CA PHE A 73 6.870 9.271 13.853 1.00 0.00 C ATOM 1068 C PHE A 73 6.585 9.314 15.352 1.00 0.00 C ATOM 1069 O PHE A 73 5.617 9.932 15.793 1.00 0.00 O ATOM 1070 CB PHE A 73 5.555 9.202 13.074 1.00 0.00 C ATOM 1071 CG PHE A 73 5.726 8.773 11.645 1.00 0.00 C ATOM 1072 CD1 PHE A 73 5.931 7.439 11.329 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.680 9.702 10.619 1.00 0.00 C ATOM 1074 CE1 PHE A 73 6.090 7.042 10.015 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.837 9.310 9.302 1.00 0.00 C ATOM 1076 CZ PHE A 73 6.041 7.978 9.000 1.00 0.00 C ATOM 0 H PHE A 73 7.276 7.223 13.660 1.00 0.00 H new ATOM 0 HA PHE A 73 7.401 10.181 13.576 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.881 8.507 13.575 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.077 10.181 13.096 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.967 6.702 12.118 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.520 10.745 10.850 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.253 6.000 9.781 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.800 10.044 8.511 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.162 7.669 7.972 1.00 0.00 H new ATOM 1086 N GLY A 74 7.437 8.653 16.129 1.00 0.00 N ATOM 1087 CA GLY A 74 7.260 8.628 17.570 1.00 0.00 C ATOM 1088 C GLY A 74 8.510 9.053 18.315 1.00 0.00 C ATOM 1089 O GLY A 74 8.576 8.950 19.539 1.00 0.00 O ATOM 0 H GLY A 74 8.246 8.135 15.787 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.436 9.287 17.843 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.980 7.622 17.881 1.00 0.00 H new ATOM 1093 N SER A 75 9.505 9.531 17.574 1.00 0.00 N ATOM 1094 CA SER A 75 10.761 9.969 18.171 1.00 0.00 C ATOM 1095 C SER A 75 11.291 11.215 17.470 1.00 0.00 C ATOM 1096 O SER A 75 10.829 11.577 16.388 1.00 0.00 O ATOM 1097 CB SER A 75 11.801 8.849 18.101 1.00 0.00 C ATOM 1098 OG SER A 75 11.512 7.824 19.036 1.00 0.00 O ATOM 0 H SER A 75 9.465 9.625 16.559 1.00 0.00 H new ATOM 0 HA SER A 75 10.572 10.215 19.216 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.823 8.431 17.094 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.792 9.257 18.299 1.00 0.00 H new ATOM 0 HG SER A 75 10.734 7.312 18.730 1.00 0.00 H new ATOM 1104 N GLY A 76 12.265 11.870 18.096 1.00 0.00 N ATOM 1105 CA GLY A 76 12.842 13.069 17.518 1.00 0.00 C ATOM 1106 C GLY A 76 13.457 13.978 18.564 1.00 0.00 C ATOM 1107 O GLY A 76 12.783 14.818 19.161 1.00 0.00 O ATOM 0 H GLY A 76 12.664 11.591 18.992 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.605 12.788 16.792 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.070 13.615 16.975 1.00 0.00 H new ATOM 1111 N PRO A 77 14.768 13.814 18.799 1.00 0.00 N ATOM 1112 CA PRO A 77 15.502 14.617 19.781 1.00 0.00 C ATOM 1113 C PRO A 77 15.663 16.068 19.341 1.00 0.00 C ATOM 1114 O PRO A 77 16.234 16.886 20.062 1.00 0.00 O ATOM 1115 CB PRO A 77 16.866 13.927 19.855 1.00 0.00 C ATOM 1116 CG PRO A 77 17.018 13.247 18.539 1.00 0.00 C ATOM 1117 CD PRO A 77 15.633 12.833 18.124 1.00 0.00 C ATOM 0 HA PRO A 77 14.981 14.667 20.737 1.00 0.00 H new ATOM 0 HB2 PRO A 77 17.666 14.648 20.023 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.904 13.212 20.677 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.462 13.917 17.803 1.00 0.00 H new ATOM 0 HG3 PRO A 77 17.676 12.382 18.621 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.511 12.867 17.041 1.00 0.00 H new ATOM 0 HD3 PRO A 77 15.407 11.814 18.438 1.00 0.00 H new ATOM 1125 N SER A 78 15.155 16.381 18.153 1.00 0.00 N ATOM 1126 CA SER A 78 15.245 17.733 17.614 1.00 0.00 C ATOM 1127 C SER A 78 14.694 18.751 18.608 1.00 0.00 C ATOM 1128 O SER A 78 14.127 18.386 19.638 1.00 0.00 O ATOM 1129 CB SER A 78 14.483 17.830 16.291 1.00 0.00 C ATOM 1130 OG SER A 78 15.316 17.488 15.197 1.00 0.00 O ATOM 0 H SER A 78 14.677 15.716 17.545 1.00 0.00 H new ATOM 0 HA SER A 78 16.297 17.957 17.436 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.619 17.166 16.316 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.103 18.843 16.160 1.00 0.00 H new ATOM 0 HG SER A 78 14.805 17.556 14.363 1.00 0.00 H new ATOM 1136 N SER A 79 14.865 20.030 18.291 1.00 0.00 N ATOM 1137 CA SER A 79 14.388 21.103 19.156 1.00 0.00 C ATOM 1138 C SER A 79 12.887 21.316 18.982 1.00 0.00 C ATOM 1139 O SER A 79 12.456 22.148 18.186 1.00 0.00 O ATOM 1140 CB SER A 79 15.137 22.402 18.854 1.00 0.00 C ATOM 1141 OG SER A 79 16.492 22.316 19.261 1.00 0.00 O ATOM 0 H SER A 79 15.330 20.349 17.441 1.00 0.00 H new ATOM 0 HA SER A 79 14.579 20.814 20.189 1.00 0.00 H new ATOM 0 HB2 SER A 79 15.088 22.614 17.786 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.652 23.233 19.367 1.00 0.00 H new ATOM 0 HG SER A 79 16.949 23.158 19.056 1.00 0.00 H new ATOM 1147 N GLY A 80 12.097 20.555 19.733 1.00 0.00 N ATOM 1148 CA GLY A 80 10.653 20.675 19.648 1.00 0.00 C ATOM 1149 C GLY A 80 10.141 21.966 20.253 1.00 0.00 C ATOM 1150 O GLY A 80 9.599 21.937 21.357 1.00 0.00 O ATOM 0 H GLY A 80 12.431 19.858 20.398 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.348 20.621 18.603 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.191 19.830 20.158 1.00 0.00 H new TER 1154 GLY A 80 HETATM 1155 ZN ZN A 201 -0.905 -12.463 0.801 1.00 0.00 ZN HETATM 1156 ZN ZN A 401 8.276 -2.284 12.243 1.00 0.00 ZN