USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 719 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 Set 1.1: A 52 MET CE :methyl -157:sc= -0.234 (180deg=-1.54) USER MOD Set 1.2: A 88 TYR OH : rot 180:sc= -0.127 USER MOD Set 2.1: A 36 MET CE :methyl -162:sc= -8.35! (180deg=-9.23!) USER MOD Set 2.2: A 57 TYR OH : rot -5:sc= -0.924 USER MOD Set 3.1: A 2 SER OG : rot 149:sc= 0.0378 USER MOD Set 3.2: A 44 TYR OH : rot 180:sc= 0.0351 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=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 11 THR OG1 : rot 39:sc= 0.572 USER MOD Single : A 14 SER OG : rot 33:sc= 0.0124 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -160:sc= 0 USER MOD Single : A 28 SER OG : rot 44:sc= 0.00886 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= 0.693 (180deg=-0.29) USER MOD Single : A 35 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.044) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.536 USER MOD Single : A 48 GLN : amide:sc= 0.139 K(o=0.14,f=-3.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 149:sc= -8.33! (180deg=-10.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 163:sc= -0.94 (180deg=-2.55!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -94:sc= 0.249 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -73:sc= 0.251 USER MOD Single : A 78 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-1.2) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 83 SER OG : rot 9:sc= 0.527 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.222 8.134 -1.902 1.00 0.00 N ATOM 2 CA GLY A 1 9.833 7.803 -0.542 1.00 0.00 C ATOM 3 C GLY A 1 9.480 9.064 0.250 1.00 0.00 C ATOM 4 O GLY A 1 10.262 9.516 1.084 1.00 0.00 O ATOM 0 H1 GLY A 1 10.456 7.262 -2.418 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.435 8.618 -2.380 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.053 8.759 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.977 7.128 -0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.646 7.274 -0.046 1.00 0.00 H new ATOM 8 N SER A 2 8.302 9.595 -0.040 1.00 0.00 N ATOM 9 CA SER A 2 7.835 10.795 0.634 1.00 0.00 C ATOM 10 C SER A 2 7.843 10.580 2.149 1.00 0.00 C ATOM 11 O SER A 2 7.900 9.445 2.618 1.00 0.00 O ATOM 12 CB SER A 2 6.434 11.184 0.160 1.00 0.00 C ATOM 13 OG SER A 2 6.470 11.963 -1.032 1.00 0.00 O ATOM 0 H SER A 2 7.656 9.216 -0.733 1.00 0.00 H new ATOM 0 HA SER A 2 8.512 11.612 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.847 10.282 -0.014 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.929 11.746 0.945 1.00 0.00 H new ATOM 0 HG SER A 2 5.669 11.780 -1.567 1.00 0.00 H new ATOM 19 N SER A 3 7.785 11.689 2.871 1.00 0.00 N ATOM 20 CA SER A 3 7.785 11.637 4.324 1.00 0.00 C ATOM 21 C SER A 3 6.535 12.329 4.872 1.00 0.00 C ATOM 22 O SER A 3 5.912 13.133 4.180 1.00 0.00 O ATOM 23 CB SER A 3 9.046 12.285 4.898 1.00 0.00 C ATOM 24 OG SER A 3 9.987 11.314 5.348 1.00 0.00 O ATOM 0 H SER A 3 7.738 12.629 2.478 1.00 0.00 H new ATOM 0 HA SER A 3 7.776 10.591 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.509 12.914 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.773 12.937 5.728 1.00 0.00 H new ATOM 0 HG SER A 3 10.779 11.767 5.706 1.00 0.00 H new ATOM 30 N GLY A 4 6.206 11.992 6.110 1.00 0.00 N ATOM 31 CA GLY A 4 5.042 12.571 6.759 1.00 0.00 C ATOM 32 C GLY A 4 3.749 12.073 6.111 1.00 0.00 C ATOM 33 O GLY A 4 3.381 10.909 6.266 1.00 0.00 O ATOM 0 H GLY A 4 6.725 11.325 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.045 12.312 7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.089 13.658 6.696 1.00 0.00 H new ATOM 37 N SER A 5 3.094 12.979 5.399 1.00 0.00 N ATOM 38 CA SER A 5 1.850 12.646 4.727 1.00 0.00 C ATOM 39 C SER A 5 1.455 13.772 3.770 1.00 0.00 C ATOM 40 O SER A 5 1.452 14.942 4.149 1.00 0.00 O ATOM 41 CB SER A 5 0.729 12.392 5.738 1.00 0.00 C ATOM 42 OG SER A 5 -0.017 11.219 5.422 1.00 0.00 O ATOM 0 H SER A 5 3.402 13.943 5.273 1.00 0.00 H new ATOM 0 HA SER A 5 2.004 11.730 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.156 12.293 6.736 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.060 13.252 5.762 1.00 0.00 H new ATOM 0 HG SER A 5 -0.722 11.090 6.091 1.00 0.00 H new ATOM 48 N SER A 6 1.132 13.379 2.546 1.00 0.00 N ATOM 49 CA SER A 6 0.736 14.341 1.531 1.00 0.00 C ATOM 50 C SER A 6 1.892 15.301 1.242 1.00 0.00 C ATOM 51 O SER A 6 2.544 15.789 2.164 1.00 0.00 O ATOM 52 CB SER A 6 -0.506 15.121 1.966 1.00 0.00 C ATOM 53 OG SER A 6 -0.834 16.158 1.046 1.00 0.00 O ATOM 0 H SER A 6 1.136 12.408 2.234 1.00 0.00 H new ATOM 0 HA SER A 6 0.488 13.796 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.350 14.437 2.058 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.336 15.552 2.953 1.00 0.00 H new ATOM 0 HG SER A 6 -1.633 16.631 1.358 1.00 0.00 H new ATOM 59 N GLY A 7 2.109 15.545 -0.042 1.00 0.00 N ATOM 60 CA GLY A 7 3.174 16.439 -0.464 1.00 0.00 C ATOM 61 C GLY A 7 3.219 16.557 -1.988 1.00 0.00 C ATOM 62 O GLY A 7 3.348 15.554 -2.689 1.00 0.00 O ATOM 0 H GLY A 7 1.566 15.139 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.022 17.425 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.131 16.069 -0.096 1.00 0.00 H new ATOM 66 N GLY A 8 3.110 17.791 -2.458 1.00 0.00 N ATOM 67 CA GLY A 8 3.136 18.053 -3.887 1.00 0.00 C ATOM 68 C GLY A 8 1.979 18.966 -4.298 1.00 0.00 C ATOM 69 O GLY A 8 1.533 19.800 -3.512 1.00 0.00 O ATOM 0 H GLY A 8 3.003 18.621 -1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.084 18.517 -4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.074 17.112 -4.434 1.00 0.00 H new ATOM 73 N PRO A 9 1.516 18.773 -5.562 1.00 0.00 N ATOM 74 CA PRO A 9 0.419 19.569 -6.087 1.00 0.00 C ATOM 75 C PRO A 9 -0.917 19.123 -5.491 1.00 0.00 C ATOM 76 O PRO A 9 -1.004 18.060 -4.878 1.00 0.00 O ATOM 77 CB PRO A 9 0.488 19.387 -7.594 1.00 0.00 C ATOM 78 CG PRO A 9 1.321 18.136 -7.826 1.00 0.00 C ATOM 79 CD PRO A 9 2.020 17.794 -6.521 1.00 0.00 C ATOM 0 HA PRO A 9 0.500 20.623 -5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.509 19.277 -8.020 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.944 20.254 -8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.687 17.310 -8.148 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.051 18.305 -8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.792 16.776 -6.205 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.103 17.861 -6.623 1.00 0.00 H new ATOM 87 N PRO A 10 -1.953 19.979 -5.698 1.00 0.00 N ATOM 88 CA PRO A 10 -3.281 19.684 -5.188 1.00 0.00 C ATOM 89 C PRO A 10 -3.963 18.602 -6.028 1.00 0.00 C ATOM 90 O PRO A 10 -5.004 18.847 -6.636 1.00 0.00 O ATOM 91 CB PRO A 10 -4.019 21.013 -5.219 1.00 0.00 C ATOM 92 CG PRO A 10 -3.237 21.901 -6.173 1.00 0.00 C ATOM 93 CD PRO A 10 -1.888 21.247 -6.419 1.00 0.00 C ATOM 0 HA PRO A 10 -3.262 19.277 -4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.046 20.882 -5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.068 21.456 -4.224 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.779 22.023 -7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.107 22.896 -5.748 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.713 21.089 -7.483 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.073 21.870 -6.051 1.00 0.00 H new ATOM 101 N THR A 11 -3.348 17.428 -6.035 1.00 0.00 N ATOM 102 CA THR A 11 -3.883 16.308 -6.790 1.00 0.00 C ATOM 103 C THR A 11 -5.411 16.295 -6.716 1.00 0.00 C ATOM 104 O THR A 11 -5.982 16.132 -5.639 1.00 0.00 O ATOM 105 CB THR A 11 -3.238 15.027 -6.257 1.00 0.00 C ATOM 106 OG1 THR A 11 -3.536 15.043 -4.863 1.00 0.00 O ATOM 107 CG2 THR A 11 -1.710 15.075 -6.311 1.00 0.00 C ATOM 0 H THR A 11 -2.485 17.229 -5.530 1.00 0.00 H new ATOM 0 HA THR A 11 -3.641 16.394 -7.849 1.00 0.00 H new ATOM 0 HB THR A 11 -3.595 14.174 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.446 15.381 -4.727 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.303 14.142 -5.921 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.386 15.209 -7.343 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.351 15.908 -5.707 1.00 0.00 H new ATOM 115 N ARG A 12 -6.030 16.470 -7.874 1.00 0.00 N ATOM 116 CA ARG A 12 -7.480 16.481 -7.954 1.00 0.00 C ATOM 117 C ARG A 12 -7.950 15.713 -9.191 1.00 0.00 C ATOM 118 O ARG A 12 -8.933 16.091 -9.825 1.00 0.00 O ATOM 119 CB ARG A 12 -8.018 17.912 -8.016 1.00 0.00 C ATOM 120 CG ARG A 12 -8.518 18.370 -6.645 1.00 0.00 C ATOM 121 CD ARG A 12 -7.891 19.708 -6.251 1.00 0.00 C ATOM 122 NE ARG A 12 -8.900 20.787 -6.341 1.00 0.00 N ATOM 123 CZ ARG A 12 -9.835 21.020 -5.410 1.00 0.00 C ATOM 124 NH1 ARG A 12 -9.895 20.252 -4.313 1.00 0.00 N ATOM 125 NH2 ARG A 12 -10.710 22.021 -5.575 1.00 0.00 N ATOM 0 H ARG A 12 -5.553 16.605 -8.765 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.865 15.999 -7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.234 18.584 -8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.830 17.968 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.604 18.465 -6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.276 17.616 -5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.499 19.650 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.049 19.931 -6.906 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.883 21.391 -7.163 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.229 19.490 -4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.607 20.430 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.664 22.606 -6.409 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.422 22.198 -4.866 1.00 0.00 H new ATOM 139 N ARG A 13 -7.223 14.648 -9.498 1.00 0.00 N ATOM 140 CA ARG A 13 -7.553 13.823 -10.648 1.00 0.00 C ATOM 141 C ARG A 13 -8.476 12.676 -10.232 1.00 0.00 C ATOM 142 O ARG A 13 -9.290 12.209 -11.028 1.00 0.00 O ATOM 143 CB ARG A 13 -6.291 13.245 -11.291 1.00 0.00 C ATOM 144 CG ARG A 13 -5.483 12.432 -10.279 1.00 0.00 C ATOM 145 CD ARG A 13 -4.036 12.925 -10.208 1.00 0.00 C ATOM 146 NE ARG A 13 -4.011 14.387 -9.980 1.00 0.00 N ATOM 147 CZ ARG A 13 -3.814 15.295 -10.945 1.00 0.00 C ATOM 148 NH1 ARG A 13 -3.624 14.897 -12.211 1.00 0.00 N ATOM 149 NH2 ARG A 13 -3.807 16.601 -10.646 1.00 0.00 N ATOM 0 H ARG A 13 -6.407 14.338 -8.970 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.061 14.456 -11.375 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.566 12.612 -12.135 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.677 14.054 -11.686 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.945 12.508 -9.295 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.499 11.379 -10.558 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.508 12.414 -9.403 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.515 12.684 -11.135 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.153 14.725 -9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.629 13.903 -12.439 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.474 15.588 -12.946 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.952 16.905 -9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.657 17.292 -11.381 1.00 0.00 H new ATOM 163 N SER A 14 -8.320 12.256 -8.986 1.00 0.00 N ATOM 164 CA SER A 14 -9.129 11.172 -8.454 1.00 0.00 C ATOM 165 C SER A 14 -9.335 11.362 -6.950 1.00 0.00 C ATOM 166 O SER A 14 -10.457 11.261 -6.456 1.00 0.00 O ATOM 167 CB SER A 14 -8.483 9.814 -8.734 1.00 0.00 C ATOM 168 OG SER A 14 -8.988 9.219 -9.927 1.00 0.00 O ATOM 0 H SER A 14 -7.645 12.647 -8.328 1.00 0.00 H new ATOM 0 HA SER A 14 -10.098 11.192 -8.952 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.403 9.937 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.663 9.146 -7.891 1.00 0.00 H new ATOM 0 HG SER A 14 -9.200 9.920 -10.578 1.00 0.00 H new ATOM 174 N ASP A 15 -8.234 11.633 -6.264 1.00 0.00 N ATOM 175 CA ASP A 15 -8.280 11.838 -4.826 1.00 0.00 C ATOM 176 C ASP A 15 -8.870 10.596 -4.157 1.00 0.00 C ATOM 177 O ASP A 15 -9.897 10.677 -3.485 1.00 0.00 O ATOM 178 CB ASP A 15 -9.165 13.034 -4.468 1.00 0.00 C ATOM 179 CG ASP A 15 -9.408 13.233 -2.971 1.00 0.00 C ATOM 180 OD1 ASP A 15 -8.399 13.364 -2.244 1.00 0.00 O ATOM 181 OD2 ASP A 15 -10.597 13.249 -2.586 1.00 0.00 O ATOM 0 H ASP A 15 -7.305 11.715 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.264 12.025 -4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.708 13.938 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.128 12.916 -4.965 1.00 0.00 H new ATOM 186 N PHE A 16 -8.196 9.474 -4.365 1.00 0.00 N ATOM 187 CA PHE A 16 -8.641 8.216 -3.790 1.00 0.00 C ATOM 188 C PHE A 16 -7.452 7.302 -3.484 1.00 0.00 C ATOM 189 O PHE A 16 -6.900 6.674 -4.386 1.00 0.00 O ATOM 190 CB PHE A 16 -9.535 7.540 -4.831 1.00 0.00 C ATOM 191 CG PHE A 16 -10.773 8.354 -5.211 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.563 8.884 -4.238 1.00 0.00 C ATOM 193 CD2 PHE A 16 -11.085 8.547 -6.520 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.712 9.639 -4.590 1.00 0.00 C ATOM 195 CE2 PHE A 16 -12.235 9.302 -6.872 1.00 0.00 C ATOM 196 CZ PHE A 16 -13.024 9.833 -5.900 1.00 0.00 C ATOM 0 H PHE A 16 -7.345 9.410 -4.924 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.172 8.401 -2.856 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.948 7.349 -5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.854 6.571 -4.447 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.316 8.730 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.458 8.126 -7.292 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.339 10.060 -3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.483 9.455 -7.912 1.00 0.00 H new ATOM 0 HZ PHE A 16 -13.898 10.408 -6.168 1.00 0.00 H new ATOM 206 N ARG A 17 -7.094 7.256 -2.209 1.00 0.00 N ATOM 207 CA ARG A 17 -5.982 6.429 -1.774 1.00 0.00 C ATOM 208 C ARG A 17 -6.423 5.498 -0.643 1.00 0.00 C ATOM 209 O ARG A 17 -7.566 5.562 -0.192 1.00 0.00 O ATOM 210 CB ARG A 17 -4.813 7.290 -1.290 1.00 0.00 C ATOM 211 CG ARG A 17 -5.162 8.005 0.017 1.00 0.00 C ATOM 212 CD ARG A 17 -4.023 7.883 1.031 1.00 0.00 C ATOM 213 NE ARG A 17 -3.095 9.026 0.889 1.00 0.00 N ATOM 214 CZ ARG A 17 -3.392 10.284 1.243 1.00 0.00 C ATOM 215 NH1 ARG A 17 -4.595 10.567 1.761 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.487 11.258 1.078 1.00 0.00 N ATOM 0 H ARG A 17 -7.555 7.778 -1.464 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.654 5.837 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.933 6.664 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.557 8.025 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.364 9.057 -0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.074 7.579 0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.427 7.856 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.486 6.947 0.877 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.171 8.845 0.497 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.284 9.825 1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.822 11.524 2.031 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.572 11.042 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.713 12.215 1.347 1.00 0.00 H new ATOM 230 N VAL A 18 -5.494 4.655 -0.217 1.00 0.00 N ATOM 231 CA VAL A 18 -5.773 3.712 0.852 1.00 0.00 C ATOM 232 C VAL A 18 -4.630 3.746 1.868 1.00 0.00 C ATOM 233 O VAL A 18 -3.459 3.719 1.492 1.00 0.00 O ATOM 234 CB VAL A 18 -6.014 2.317 0.271 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.298 2.285 -0.562 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.813 1.852 -0.555 1.00 0.00 C ATOM 0 H VAL A 18 -4.547 4.606 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.685 3.992 1.379 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.137 1.624 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.446 1.283 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.147 2.553 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.216 2.997 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.010 0.858 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.645 2.548 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.927 1.818 0.079 1.00 0.00 H new ATOM 246 N LEU A 19 -5.009 3.806 3.136 1.00 0.00 N ATOM 247 CA LEU A 19 -4.030 3.844 4.209 1.00 0.00 C ATOM 248 C LEU A 19 -3.736 2.418 4.677 1.00 0.00 C ATOM 249 O LEU A 19 -4.640 1.705 5.112 1.00 0.00 O ATOM 250 CB LEU A 19 -4.499 4.775 5.329 1.00 0.00 C ATOM 251 CG LEU A 19 -4.538 6.267 4.990 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.594 7.117 6.261 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.363 6.655 4.091 1.00 0.00 C ATOM 0 H LEU A 19 -5.981 3.829 3.445 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.089 4.262 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.498 4.466 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.844 4.635 6.189 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.451 6.467 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.621 8.173 5.992 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.490 6.864 6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.711 6.920 6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.414 7.720 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.426 6.437 4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.411 6.084 3.163 1.00 0.00 H new ATOM 265 N VAL A 20 -2.470 2.044 4.573 1.00 0.00 N ATOM 266 CA VAL A 20 -2.046 0.715 4.980 1.00 0.00 C ATOM 267 C VAL A 20 -1.383 0.795 6.357 1.00 0.00 C ATOM 268 O VAL A 20 -0.661 1.748 6.647 1.00 0.00 O ATOM 269 CB VAL A 20 -1.134 0.106 3.912 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.479 -1.180 4.420 1.00 0.00 C ATOM 271 CG2 VAL A 20 -1.903 -0.145 2.614 1.00 0.00 C ATOM 0 H VAL A 20 -1.723 2.638 4.213 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.906 0.051 5.071 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.342 0.823 3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.164 -1.593 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.118 -0.959 5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.251 -1.906 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.232 -0.578 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.725 -0.834 2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.300 0.798 2.238 1.00 0.00 H new ATOM 281 N SER A 21 -1.652 -0.217 7.168 1.00 0.00 N ATOM 282 CA SER A 21 -1.090 -0.273 8.507 1.00 0.00 C ATOM 283 C SER A 21 -0.880 -1.729 8.926 1.00 0.00 C ATOM 284 O SER A 21 -1.611 -2.616 8.489 1.00 0.00 O ATOM 285 CB SER A 21 -1.994 0.443 9.513 1.00 0.00 C ATOM 286 OG SER A 21 -3.268 -0.183 9.626 1.00 0.00 O ATOM 0 H SER A 21 -2.252 -1.005 6.924 1.00 0.00 H new ATOM 0 HA SER A 21 -0.127 0.238 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.509 0.458 10.489 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.126 1.481 9.207 1.00 0.00 H new ATOM 0 HG SER A 21 -3.814 0.303 10.279 1.00 0.00 H new ATOM 292 N GLY A 22 0.124 -1.930 9.767 1.00 0.00 N ATOM 293 CA GLY A 22 0.440 -3.264 10.250 1.00 0.00 C ATOM 294 C GLY A 22 1.335 -4.008 9.257 1.00 0.00 C ATOM 295 O GLY A 22 1.099 -5.179 8.960 1.00 0.00 O ATOM 0 H GLY A 22 0.729 -1.192 10.126 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.940 -3.196 11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.481 -3.826 10.407 1.00 0.00 H new ATOM 299 N LEU A 23 2.343 -3.299 8.771 1.00 0.00 N ATOM 300 CA LEU A 23 3.274 -3.878 7.817 1.00 0.00 C ATOM 301 C LEU A 23 4.452 -4.496 8.573 1.00 0.00 C ATOM 302 O LEU A 23 4.722 -4.130 9.716 1.00 0.00 O ATOM 303 CB LEU A 23 3.689 -2.838 6.775 1.00 0.00 C ATOM 304 CG LEU A 23 2.739 -2.661 5.588 1.00 0.00 C ATOM 305 CD1 LEU A 23 2.873 -1.263 4.983 1.00 0.00 C ATOM 306 CD2 LEU A 23 2.954 -3.760 4.545 1.00 0.00 C ATOM 0 H LEU A 23 2.536 -2.329 9.020 1.00 0.00 H new ATOM 0 HA LEU A 23 2.796 -4.682 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.797 -1.875 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.672 -3.110 6.391 1.00 0.00 H new ATOM 0 HG LEU A 23 1.716 -2.758 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.187 -1.163 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.632 -0.515 5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.896 -1.113 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.267 -3.611 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.980 -3.720 4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.768 -4.734 4.999 1.00 0.00 H new ATOM 318 N PRO A 24 5.140 -5.447 7.886 1.00 0.00 N ATOM 319 CA PRO A 24 6.283 -6.120 8.480 1.00 0.00 C ATOM 320 C PRO A 24 7.507 -5.202 8.504 1.00 0.00 C ATOM 321 O PRO A 24 7.478 -4.108 7.943 1.00 0.00 O ATOM 322 CB PRO A 24 6.490 -7.365 7.633 1.00 0.00 C ATOM 323 CG PRO A 24 5.757 -7.108 6.327 1.00 0.00 C ATOM 324 CD PRO A 24 4.849 -5.906 6.531 1.00 0.00 C ATOM 0 HA PRO A 24 6.119 -6.388 9.524 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.550 -7.545 7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.096 -8.249 8.135 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.467 -6.918 5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.174 -7.982 6.038 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.053 -5.127 5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.800 -6.180 6.422 1.00 0.00 H new ATOM 332 N PRO A 25 8.581 -5.695 9.176 1.00 0.00 N ATOM 333 CA PRO A 25 9.813 -4.932 9.281 1.00 0.00 C ATOM 334 C PRO A 25 10.586 -4.955 7.960 1.00 0.00 C ATOM 335 O PRO A 25 11.425 -4.090 7.713 1.00 0.00 O ATOM 336 CB PRO A 25 10.578 -5.574 10.427 1.00 0.00 C ATOM 337 CG PRO A 25 9.965 -6.951 10.617 1.00 0.00 C ATOM 338 CD PRO A 25 8.651 -6.987 9.853 1.00 0.00 C ATOM 0 HA PRO A 25 9.637 -3.875 9.480 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.640 -5.648 10.194 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.491 -4.979 11.336 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.641 -7.723 10.250 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.797 -7.151 11.675 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.631 -7.810 9.139 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.805 -7.128 10.526 1.00 0.00 H new ATOM 346 N SER A 26 10.275 -5.954 7.147 1.00 0.00 N ATOM 347 CA SER A 26 10.930 -6.101 5.858 1.00 0.00 C ATOM 348 C SER A 26 9.984 -5.663 4.738 1.00 0.00 C ATOM 349 O SER A 26 10.404 -5.507 3.592 1.00 0.00 O ATOM 350 CB SER A 26 11.387 -7.543 5.634 1.00 0.00 C ATOM 351 OG SER A 26 11.877 -8.140 6.832 1.00 0.00 O ATOM 0 H SER A 26 9.578 -6.669 7.356 1.00 0.00 H new ATOM 0 HA SER A 26 11.814 -5.463 5.848 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.554 -8.132 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.168 -7.562 4.874 1.00 0.00 H new ATOM 0 HG SER A 26 12.438 -8.911 6.607 1.00 0.00 H new ATOM 357 N GLY A 27 8.726 -5.478 5.108 1.00 0.00 N ATOM 358 CA GLY A 27 7.717 -5.062 4.149 1.00 0.00 C ATOM 359 C GLY A 27 8.182 -3.836 3.360 1.00 0.00 C ATOM 360 O GLY A 27 8.601 -2.839 3.946 1.00 0.00 O ATOM 0 H GLY A 27 8.382 -5.609 6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.503 -5.881 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.788 -4.832 4.670 1.00 0.00 H new ATOM 364 N SER A 28 8.093 -3.951 2.043 1.00 0.00 N ATOM 365 CA SER A 28 8.500 -2.864 1.169 1.00 0.00 C ATOM 366 C SER A 28 7.287 -2.318 0.414 1.00 0.00 C ATOM 367 O SER A 28 6.167 -2.788 0.608 1.00 0.00 O ATOM 368 CB SER A 28 9.575 -3.324 0.182 1.00 0.00 C ATOM 369 OG SER A 28 10.785 -3.686 0.842 1.00 0.00 O ATOM 0 H SER A 28 7.745 -4.780 1.560 1.00 0.00 H new ATOM 0 HA SER A 28 8.925 -2.071 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.204 -4.176 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.776 -2.526 -0.533 1.00 0.00 H new ATOM 0 HG SER A 28 10.578 -4.231 1.630 1.00 0.00 H new ATOM 375 N TRP A 29 7.550 -1.331 -0.431 1.00 0.00 N ATOM 376 CA TRP A 29 6.493 -0.715 -1.215 1.00 0.00 C ATOM 377 C TRP A 29 6.258 -1.582 -2.454 1.00 0.00 C ATOM 378 O TRP A 29 5.118 -1.780 -2.870 1.00 0.00 O ATOM 379 CB TRP A 29 6.839 0.735 -1.557 1.00 0.00 C ATOM 380 CG TRP A 29 8.231 0.917 -2.164 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.364 1.270 -1.541 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.595 0.739 -3.550 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.426 1.333 -2.419 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.944 0.999 -3.679 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.810 0.370 -4.656 1.00 0.00 C ATOM 386 CZ2 TRP A 29 10.626 0.919 -4.899 1.00 0.00 C ATOM 387 CZ3 TRP A 29 8.507 0.294 -5.868 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.865 0.553 -6.016 1.00 0.00 C ATOM 0 H TRP A 29 8.480 -0.943 -0.590 1.00 0.00 H new ATOM 0 HA TRP A 29 5.566 -0.666 -0.643 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.096 1.120 -2.256 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.767 1.338 -0.652 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.436 1.479 -0.484 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.388 1.579 -2.186 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.753 0.162 -4.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.683 1.128 -4.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.950 0.014 -6.750 1.00 0.00 H new ATOM 0 HH2 TRP A 29 10.330 0.472 -6.987 1.00 0.00 H new ATOM 399 N GLN A 30 7.356 -2.075 -3.009 1.00 0.00 N ATOM 400 CA GLN A 30 7.283 -2.916 -4.192 1.00 0.00 C ATOM 401 C GLN A 30 6.241 -4.019 -3.996 1.00 0.00 C ATOM 402 O GLN A 30 5.157 -3.963 -4.575 1.00 0.00 O ATOM 403 CB GLN A 30 8.653 -3.509 -4.527 1.00 0.00 C ATOM 404 CG GLN A 30 9.539 -2.480 -5.233 1.00 0.00 C ATOM 405 CD GLN A 30 10.824 -3.127 -5.752 1.00 0.00 C ATOM 406 OE1 GLN A 30 11.423 -3.978 -5.114 1.00 0.00 O ATOM 407 NE2 GLN A 30 11.213 -2.679 -6.942 1.00 0.00 N ATOM 0 H GLN A 30 8.300 -1.908 -2.662 1.00 0.00 H new ATOM 0 HA GLN A 30 6.974 -2.298 -5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.140 -3.847 -3.612 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.528 -4.385 -5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.992 -2.032 -6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.787 -1.674 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.665 -1.965 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.059 -3.049 -7.375 1.00 0.00 H new ATOM 416 N ASP A 31 6.606 -4.995 -3.178 1.00 0.00 N ATOM 417 CA ASP A 31 5.715 -6.109 -2.899 1.00 0.00 C ATOM 418 C ASP A 31 4.333 -5.571 -2.525 1.00 0.00 C ATOM 419 O ASP A 31 3.315 -6.117 -2.946 1.00 0.00 O ATOM 420 CB ASP A 31 6.230 -6.946 -1.726 1.00 0.00 C ATOM 421 CG ASP A 31 6.779 -8.323 -2.105 1.00 0.00 C ATOM 422 OD1 ASP A 31 6.937 -8.555 -3.323 1.00 0.00 O ATOM 423 OD2 ASP A 31 7.029 -9.111 -1.169 1.00 0.00 O ATOM 0 H ASP A 31 7.506 -5.038 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 31 5.665 -6.732 -3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.015 -6.386 -1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.418 -7.080 -1.011 1.00 0.00 H new ATOM 428 N LEU A 32 4.342 -4.505 -1.737 1.00 0.00 N ATOM 429 CA LEU A 32 3.101 -3.887 -1.302 1.00 0.00 C ATOM 430 C LEU A 32 2.264 -3.516 -2.527 1.00 0.00 C ATOM 431 O LEU A 32 1.108 -3.923 -2.640 1.00 0.00 O ATOM 432 CB LEU A 32 3.389 -2.705 -0.373 1.00 0.00 C ATOM 433 CG LEU A 32 2.173 -1.889 0.071 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.493 -1.064 1.319 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.650 -1.019 -1.073 1.00 0.00 C ATOM 0 H LEU A 32 5.188 -4.054 -1.389 1.00 0.00 H new ATOM 0 HA LEU A 32 2.511 -4.590 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.893 -3.082 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.087 -2.035 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 32 1.375 -2.582 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.612 -0.493 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.782 -1.731 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.313 -0.379 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.786 -0.449 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.433 -0.332 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.358 -1.654 -1.909 1.00 0.00 H new ATOM 447 N LYS A 33 2.878 -2.746 -3.414 1.00 0.00 N ATOM 448 CA LYS A 33 2.203 -2.316 -4.626 1.00 0.00 C ATOM 449 C LYS A 33 1.650 -3.540 -5.359 1.00 0.00 C ATOM 450 O LYS A 33 0.437 -3.684 -5.506 1.00 0.00 O ATOM 451 CB LYS A 33 3.136 -1.457 -5.482 1.00 0.00 C ATOM 452 CG LYS A 33 2.362 -0.750 -6.597 1.00 0.00 C ATOM 453 CD LYS A 33 3.312 -0.201 -7.662 1.00 0.00 C ATOM 454 CE LYS A 33 3.015 1.271 -7.955 1.00 0.00 C ATOM 455 NZ LYS A 33 2.620 1.448 -9.371 1.00 0.00 N ATOM 0 H LYS A 33 3.836 -2.409 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 33 1.353 -1.679 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.633 -0.717 -4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.916 -2.083 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.660 -1.447 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.773 0.065 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.343 -0.308 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.214 -0.785 -8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.217 1.624 -7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.895 1.876 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.007 2.284 -9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.471 1.580 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.104 0.605 -9.696 1.00 0.00 H new ATOM 469 N ASP A 34 2.565 -4.391 -5.798 1.00 0.00 N ATOM 470 CA ASP A 34 2.184 -5.598 -6.512 1.00 0.00 C ATOM 471 C ASP A 34 0.959 -6.218 -5.837 1.00 0.00 C ATOM 472 O ASP A 34 0.156 -6.883 -6.491 1.00 0.00 O ATOM 473 CB ASP A 34 3.312 -6.631 -6.488 1.00 0.00 C ATOM 474 CG ASP A 34 4.436 -6.386 -7.496 1.00 0.00 C ATOM 475 OD1 ASP A 34 4.139 -6.471 -8.708 1.00 0.00 O ATOM 476 OD2 ASP A 34 5.566 -6.119 -7.033 1.00 0.00 O ATOM 0 H ASP A 34 3.570 -4.269 -5.673 1.00 0.00 H new ATOM 0 HA ASP A 34 1.967 -5.326 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.742 -6.654 -5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.886 -7.617 -6.675 1.00 0.00 H new ATOM 481 N HIS A 35 0.855 -5.980 -4.538 1.00 0.00 N ATOM 482 CA HIS A 35 -0.259 -6.507 -3.768 1.00 0.00 C ATOM 483 C HIS A 35 -1.451 -5.553 -3.870 1.00 0.00 C ATOM 484 O HIS A 35 -2.537 -5.953 -4.287 1.00 0.00 O ATOM 485 CB HIS A 35 0.161 -6.779 -2.322 1.00 0.00 C ATOM 486 CG HIS A 35 -0.887 -7.492 -1.502 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.661 -8.716 -0.896 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.168 -7.140 -1.192 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.763 -9.076 -0.255 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.696 -8.098 -0.440 1.00 0.00 N ATOM 0 H HIS A 35 1.524 -5.429 -3.999 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.570 -7.466 -4.182 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.073 -7.376 -2.326 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.402 -5.831 -1.840 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.668 -6.235 -1.505 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.899 -9.984 0.314 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.644 -8.102 -0.063 1.00 0.00 H new ATOM 498 N MET A 36 -1.208 -4.310 -3.482 1.00 0.00 N ATOM 499 CA MET A 36 -2.247 -3.296 -3.524 1.00 0.00 C ATOM 500 C MET A 36 -2.855 -3.192 -4.925 1.00 0.00 C ATOM 501 O MET A 36 -4.065 -3.026 -5.069 1.00 0.00 O ATOM 502 CB MET A 36 -1.658 -1.943 -3.121 1.00 0.00 C ATOM 503 CG MET A 36 -1.368 -1.896 -1.620 1.00 0.00 C ATOM 504 SD MET A 36 -2.867 -2.196 -0.699 1.00 0.00 S ATOM 505 CE MET A 36 -4.058 -1.433 -1.789 1.00 0.00 C ATOM 0 H MET A 36 -0.306 -3.982 -3.137 1.00 0.00 H new ATOM 0 HA MET A 36 -3.035 -3.581 -2.826 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.739 -1.762 -3.678 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.353 -1.146 -3.386 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.618 -2.643 -1.363 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.955 -0.924 -1.351 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.981 -1.241 -1.242 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.657 -0.492 -2.165 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.264 -2.099 -2.627 1.00 0.00 H new ATOM 515 N ARG A 37 -1.987 -3.294 -5.921 1.00 0.00 N ATOM 516 CA ARG A 37 -2.423 -3.213 -7.304 1.00 0.00 C ATOM 517 C ARG A 37 -3.702 -4.029 -7.506 1.00 0.00 C ATOM 518 O ARG A 37 -4.481 -3.753 -8.417 1.00 0.00 O ATOM 519 CB ARG A 37 -1.341 -3.730 -8.254 1.00 0.00 C ATOM 520 CG ARG A 37 -0.007 -3.023 -8.003 1.00 0.00 C ATOM 521 CD ARG A 37 0.426 -2.220 -9.231 1.00 0.00 C ATOM 522 NE ARG A 37 0.554 -3.116 -10.402 1.00 0.00 N ATOM 523 CZ ARG A 37 0.653 -2.688 -11.668 1.00 0.00 C ATOM 524 NH1 ARG A 37 0.639 -1.375 -11.935 1.00 0.00 N ATOM 525 NH2 ARG A 37 0.765 -3.574 -12.668 1.00 0.00 N ATOM 0 H ARG A 37 -0.984 -3.432 -5.797 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.617 -2.164 -7.529 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.218 -4.805 -8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.652 -3.571 -9.286 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.099 -2.359 -7.144 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.758 -3.759 -7.757 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.303 -1.437 -9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.377 -1.725 -9.035 1.00 0.00 H new ATOM 0 HE ARG A 37 0.568 -4.122 -10.235 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.553 -0.701 -11.174 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.714 -1.050 -12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.775 -4.574 -12.465 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.840 -3.248 -13.632 1.00 0.00 H new ATOM 539 N GLU A 38 -3.878 -5.017 -6.641 1.00 0.00 N ATOM 540 CA GLU A 38 -5.049 -5.875 -6.714 1.00 0.00 C ATOM 541 C GLU A 38 -6.249 -5.091 -7.248 1.00 0.00 C ATOM 542 O GLU A 38 -7.027 -5.609 -8.047 1.00 0.00 O ATOM 543 CB GLU A 38 -5.361 -6.492 -5.349 1.00 0.00 C ATOM 544 CG GLU A 38 -5.006 -7.980 -5.326 1.00 0.00 C ATOM 545 CD GLU A 38 -5.850 -8.760 -6.337 1.00 0.00 C ATOM 546 OE1 GLU A 38 -5.472 -8.739 -7.528 1.00 0.00 O ATOM 547 OE2 GLU A 38 -6.853 -9.360 -5.895 1.00 0.00 O ATOM 0 H GLU A 38 -3.230 -5.243 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.836 -6.690 -7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.802 -5.969 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.419 -6.363 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.948 -8.109 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.168 -8.381 -4.325 1.00 0.00 H new ATOM 554 N ALA A 39 -6.361 -3.854 -6.786 1.00 0.00 N ATOM 555 CA ALA A 39 -7.453 -2.993 -7.208 1.00 0.00 C ATOM 556 C ALA A 39 -7.292 -2.663 -8.693 1.00 0.00 C ATOM 557 O ALA A 39 -7.927 -3.285 -9.543 1.00 0.00 O ATOM 558 CB ALA A 39 -7.483 -1.740 -6.332 1.00 0.00 C ATOM 0 H ALA A 39 -5.713 -3.427 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.410 -3.499 -7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.302 -1.094 -6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.629 -2.027 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.539 -1.204 -6.431 1.00 0.00 H new ATOM 564 N GLY A 40 -6.439 -1.685 -8.960 1.00 0.00 N ATOM 565 CA GLY A 40 -6.186 -1.265 -10.327 1.00 0.00 C ATOM 566 C GLY A 40 -4.731 -0.828 -10.507 1.00 0.00 C ATOM 567 O GLY A 40 -3.816 -1.492 -10.022 1.00 0.00 O ATOM 0 H GLY A 40 -5.914 -1.171 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.410 -2.084 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.851 -0.442 -10.587 1.00 0.00 H new ATOM 571 N ASP A 41 -4.562 0.285 -11.205 1.00 0.00 N ATOM 572 CA ASP A 41 -3.233 0.818 -11.455 1.00 0.00 C ATOM 573 C ASP A 41 -2.837 1.746 -10.305 1.00 0.00 C ATOM 574 O ASP A 41 -3.576 2.669 -9.965 1.00 0.00 O ATOM 575 CB ASP A 41 -3.200 1.629 -12.751 1.00 0.00 C ATOM 576 CG ASP A 41 -1.825 1.734 -13.414 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.440 0.749 -14.081 1.00 0.00 O ATOM 578 OD2 ASP A 41 -1.190 2.796 -13.239 1.00 0.00 O ATOM 0 H ASP A 41 -5.323 0.833 -11.606 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.542 -0.021 -11.538 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.895 1.180 -13.460 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.563 2.635 -12.542 1.00 0.00 H new ATOM 583 N VAL A 42 -1.671 1.470 -9.739 1.00 0.00 N ATOM 584 CA VAL A 42 -1.167 2.269 -8.635 1.00 0.00 C ATOM 585 C VAL A 42 -0.284 3.391 -9.185 1.00 0.00 C ATOM 586 O VAL A 42 0.799 3.134 -9.708 1.00 0.00 O ATOM 587 CB VAL A 42 -0.440 1.374 -7.630 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.060 2.157 -6.372 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.284 0.147 -7.278 1.00 0.00 C ATOM 0 H VAL A 42 -1.061 0.704 -10.024 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.990 2.738 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 42 0.481 1.025 -8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.455 1.497 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.597 2.983 -6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.962 2.549 -5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.744 -0.473 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.229 0.469 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.481 -0.430 -8.181 1.00 0.00 H new ATOM 599 N CYS A 43 -0.780 4.612 -9.048 1.00 0.00 N ATOM 600 CA CYS A 43 -0.049 5.774 -9.524 1.00 0.00 C ATOM 601 C CYS A 43 0.910 6.224 -8.420 1.00 0.00 C ATOM 602 O CYS A 43 1.939 6.838 -8.699 1.00 0.00 O ATOM 603 CB CYS A 43 -0.993 6.899 -9.953 1.00 0.00 C ATOM 604 SG CYS A 43 -1.748 7.679 -8.480 1.00 0.00 S ATOM 0 H CYS A 43 -1.679 4.822 -8.614 1.00 0.00 H new ATOM 0 HA CYS A 43 0.522 5.508 -10.414 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.445 7.645 -10.529 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.772 6.503 -10.604 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.546 8.634 -8.856 1.00 0.00 H new ATOM 610 N TYR A 44 0.539 5.901 -7.190 1.00 0.00 N ATOM 611 CA TYR A 44 1.353 6.265 -6.043 1.00 0.00 C ATOM 612 C TYR A 44 1.605 5.053 -5.143 1.00 0.00 C ATOM 613 O TYR A 44 0.681 4.303 -4.832 1.00 0.00 O ATOM 614 CB TYR A 44 0.545 7.304 -5.264 1.00 0.00 C ATOM 615 CG TYR A 44 1.394 8.216 -4.376 1.00 0.00 C ATOM 616 CD1 TYR A 44 1.927 7.731 -3.199 1.00 0.00 C ATOM 617 CD2 TYR A 44 1.629 9.523 -4.753 1.00 0.00 C ATOM 618 CE1 TYR A 44 2.726 8.589 -2.363 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.428 10.381 -3.917 1.00 0.00 C ATOM 620 CZ TYR A 44 2.938 9.871 -2.763 1.00 0.00 C ATOM 621 OH TYR A 44 3.693 10.682 -1.974 1.00 0.00 O ATOM 0 H TYR A 44 -0.315 5.391 -6.963 1.00 0.00 H new ATOM 0 HA TYR A 44 2.322 6.646 -6.366 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.013 7.919 -5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.187 6.788 -4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.745 6.708 -2.905 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.214 9.902 -5.675 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.148 8.222 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.618 11.406 -4.199 1.00 0.00 H new ATOM 0 HH TYR A 44 3.760 11.569 -2.386 1.00 0.00 H new ATOM 631 N ALA A 45 2.861 4.899 -4.750 1.00 0.00 N ATOM 632 CA ALA A 45 3.246 3.791 -3.892 1.00 0.00 C ATOM 633 C ALA A 45 4.368 4.243 -2.955 1.00 0.00 C ATOM 634 O ALA A 45 5.482 4.513 -3.400 1.00 0.00 O ATOM 635 CB ALA A 45 3.653 2.595 -4.755 1.00 0.00 C ATOM 0 H ALA A 45 3.625 5.523 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 45 2.407 3.475 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.942 1.764 -4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.812 2.295 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.495 2.873 -5.388 1.00 0.00 H new ATOM 641 N ASP A 46 4.034 4.311 -1.675 1.00 0.00 N ATOM 642 CA ASP A 46 5.000 4.726 -0.671 1.00 0.00 C ATOM 643 C ASP A 46 4.745 3.954 0.625 1.00 0.00 C ATOM 644 O ASP A 46 3.602 3.826 1.061 1.00 0.00 O ATOM 645 CB ASP A 46 4.869 6.219 -0.365 1.00 0.00 C ATOM 646 CG ASP A 46 6.001 6.807 0.480 1.00 0.00 C ATOM 647 OD1 ASP A 46 6.826 6.002 0.964 1.00 0.00 O ATOM 648 OD2 ASP A 46 6.016 8.049 0.624 1.00 0.00 O ATOM 0 H ASP A 46 3.109 4.086 -1.310 1.00 0.00 H new ATOM 0 HA ASP A 46 5.998 4.524 -1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.818 6.765 -1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.924 6.387 0.152 1.00 0.00 H new ATOM 653 N VAL A 47 5.829 3.460 1.205 1.00 0.00 N ATOM 654 CA VAL A 47 5.738 2.704 2.442 1.00 0.00 C ATOM 655 C VAL A 47 6.185 3.587 3.609 1.00 0.00 C ATOM 656 O VAL A 47 6.991 4.499 3.428 1.00 0.00 O ATOM 657 CB VAL A 47 6.547 1.411 2.327 1.00 0.00 C ATOM 658 CG1 VAL A 47 8.027 1.663 2.619 1.00 0.00 C ATOM 659 CG2 VAL A 47 5.983 0.327 3.247 1.00 0.00 C ATOM 0 H VAL A 47 6.775 3.569 0.841 1.00 0.00 H new ATOM 0 HA VAL A 47 4.706 2.410 2.634 1.00 0.00 H new ATOM 0 HB VAL A 47 6.464 1.054 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.580 0.728 2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.421 2.386 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.137 2.055 3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.577 -0.581 3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.020 0.671 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.949 0.118 2.972 1.00 0.00 H new ATOM 669 N GLN A 48 5.644 3.286 4.780 1.00 0.00 N ATOM 670 CA GLN A 48 5.978 4.041 5.975 1.00 0.00 C ATOM 671 C GLN A 48 6.630 3.127 7.015 1.00 0.00 C ATOM 672 O GLN A 48 6.415 1.916 7.005 1.00 0.00 O ATOM 673 CB GLN A 48 4.740 4.731 6.552 1.00 0.00 C ATOM 674 CG GLN A 48 4.455 6.046 5.823 1.00 0.00 C ATOM 675 CD GLN A 48 4.135 7.165 6.816 1.00 0.00 C ATOM 676 OE1 GLN A 48 4.230 7.006 8.022 1.00 0.00 O ATOM 677 NE2 GLN A 48 3.750 8.302 6.243 1.00 0.00 N ATOM 0 H GLN A 48 4.976 2.529 4.927 1.00 0.00 H new ATOM 0 HA GLN A 48 6.693 4.818 5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.878 4.070 6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.889 4.925 7.614 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.319 6.326 5.220 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.618 5.912 5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.692 8.367 5.227 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.513 9.109 6.820 1.00 0.00 H new ATOM 686 N LYS A 49 7.415 3.743 7.887 1.00 0.00 N ATOM 687 CA LYS A 49 8.100 3.001 8.932 1.00 0.00 C ATOM 688 C LYS A 49 7.073 2.478 9.938 1.00 0.00 C ATOM 689 O LYS A 49 5.891 2.810 9.853 1.00 0.00 O ATOM 690 CB LYS A 49 9.200 3.856 9.563 1.00 0.00 C ATOM 691 CG LYS A 49 8.602 4.988 10.400 1.00 0.00 C ATOM 692 CD LYS A 49 9.702 5.820 11.062 1.00 0.00 C ATOM 693 CE LYS A 49 9.333 6.168 12.506 1.00 0.00 C ATOM 694 NZ LYS A 49 10.436 5.809 13.424 1.00 0.00 N ATOM 0 H LYS A 49 7.592 4.748 7.891 1.00 0.00 H new ATOM 0 HA LYS A 49 8.606 2.131 8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.836 3.232 10.191 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.835 4.273 8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.988 5.628 9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.946 4.572 11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.641 5.266 11.046 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.862 6.736 10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.118 7.234 12.586 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.425 5.637 12.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.169 6.052 14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.622 4.788 13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.293 6.335 13.159 1.00 0.00 H new ATOM 708 N ASP A 50 7.561 1.671 10.868 1.00 0.00 N ATOM 709 CA ASP A 50 6.700 1.100 11.890 1.00 0.00 C ATOM 710 C ASP A 50 5.892 -0.050 11.286 1.00 0.00 C ATOM 711 O ASP A 50 5.950 -1.178 11.774 1.00 0.00 O ATOM 712 CB ASP A 50 5.714 2.141 12.424 1.00 0.00 C ATOM 713 CG ASP A 50 5.210 1.884 13.846 1.00 0.00 C ATOM 714 OD1 ASP A 50 6.074 1.760 14.740 1.00 0.00 O ATOM 715 OD2 ASP A 50 3.972 1.819 14.006 1.00 0.00 O ATOM 0 H ASP A 50 8.542 1.399 10.936 1.00 0.00 H new ATOM 0 HA ASP A 50 7.332 0.750 12.706 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.192 3.120 12.395 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.856 2.185 11.753 1.00 0.00 H new ATOM 720 N GLY A 51 5.157 0.274 10.232 1.00 0.00 N ATOM 721 CA GLY A 51 4.338 -0.718 9.556 1.00 0.00 C ATOM 722 C GLY A 51 3.141 -0.062 8.865 1.00 0.00 C ATOM 723 O GLY A 51 2.021 -0.564 8.947 1.00 0.00 O ATOM 0 H GLY A 51 5.112 1.210 9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.940 -1.251 8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.987 -1.457 10.276 1.00 0.00 H new ATOM 727 N MET A 52 3.419 1.050 8.200 1.00 0.00 N ATOM 728 CA MET A 52 2.379 1.779 7.495 1.00 0.00 C ATOM 729 C MET A 52 2.702 1.890 6.003 1.00 0.00 C ATOM 730 O MET A 52 3.859 1.767 5.604 1.00 0.00 O ATOM 731 CB MET A 52 2.242 3.180 8.094 1.00 0.00 C ATOM 732 CG MET A 52 1.393 3.152 9.367 1.00 0.00 C ATOM 733 SD MET A 52 -0.031 4.211 9.175 1.00 0.00 S ATOM 734 CE MET A 52 -0.978 3.718 10.605 1.00 0.00 C ATOM 0 H MET A 52 4.349 1.463 8.135 1.00 0.00 H new ATOM 0 HA MET A 52 1.441 1.234 7.605 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.230 3.581 8.320 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.787 3.849 7.364 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.072 2.132 9.577 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.989 3.481 10.219 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.031 3.949 10.442 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.863 2.646 10.766 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.620 4.257 11.482 1.00 0.00 H new ATOM 744 N GLY A 53 1.658 2.122 5.220 1.00 0.00 N ATOM 745 CA GLY A 53 1.816 2.252 3.782 1.00 0.00 C ATOM 746 C GLY A 53 0.834 3.277 3.212 1.00 0.00 C ATOM 747 O GLY A 53 -0.099 3.695 3.896 1.00 0.00 O ATOM 0 H GLY A 53 0.700 2.223 5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.837 2.554 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.654 1.285 3.306 1.00 0.00 H new ATOM 751 N MET A 54 1.076 3.652 1.965 1.00 0.00 N ATOM 752 CA MET A 54 0.224 4.620 1.295 1.00 0.00 C ATOM 753 C MET A 54 0.236 4.406 -0.220 1.00 0.00 C ATOM 754 O MET A 54 1.272 4.560 -0.864 1.00 0.00 O ATOM 755 CB MET A 54 0.710 6.035 1.615 1.00 0.00 C ATOM 756 CG MET A 54 -0.279 7.083 1.101 1.00 0.00 C ATOM 757 SD MET A 54 0.440 7.987 -0.260 1.00 0.00 S ATOM 758 CE MET A 54 -0.744 7.612 -1.541 1.00 0.00 C ATOM 0 H MET A 54 1.850 3.303 1.400 1.00 0.00 H new ATOM 0 HA MET A 54 -0.797 4.487 1.653 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.836 6.145 2.692 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.688 6.199 1.162 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.201 6.598 0.779 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.544 7.770 1.905 1.00 0.00 H new ATOM 0 HE1 MET A 54 -0.804 8.448 -2.237 1.00 0.00 H new ATOM 0 HE2 MET A 54 -0.430 6.716 -2.076 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.723 7.442 -1.093 1.00 0.00 H new ATOM 768 N VAL A 55 -0.928 4.053 -0.744 1.00 0.00 N ATOM 769 CA VAL A 55 -1.065 3.815 -2.171 1.00 0.00 C ATOM 770 C VAL A 55 -2.275 4.589 -2.699 1.00 0.00 C ATOM 771 O VAL A 55 -3.256 4.778 -1.982 1.00 0.00 O ATOM 772 CB VAL A 55 -1.150 2.313 -2.446 1.00 0.00 C ATOM 773 CG1 VAL A 55 0.210 1.755 -2.871 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.695 1.563 -1.229 1.00 0.00 C ATOM 0 H VAL A 55 -1.785 3.926 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.187 4.180 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.846 2.162 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.121 0.685 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.542 2.258 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.937 1.924 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.745 0.497 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.036 1.725 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.693 1.932 -0.991 1.00 0.00 H new ATOM 784 N GLU A 56 -2.165 5.017 -3.948 1.00 0.00 N ATOM 785 CA GLU A 56 -3.237 5.766 -4.580 1.00 0.00 C ATOM 786 C GLU A 56 -3.824 4.971 -5.748 1.00 0.00 C ATOM 787 O GLU A 56 -3.240 3.979 -6.184 1.00 0.00 O ATOM 788 CB GLU A 56 -2.748 7.140 -5.043 1.00 0.00 C ATOM 789 CG GLU A 56 -2.416 8.035 -3.848 1.00 0.00 C ATOM 790 CD GLU A 56 -3.117 9.390 -3.966 1.00 0.00 C ATOM 791 OE1 GLU A 56 -4.317 9.379 -4.315 1.00 0.00 O ATOM 792 OE2 GLU A 56 -2.437 10.406 -3.705 1.00 0.00 O ATOM 0 H GLU A 56 -1.349 4.859 -4.539 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.024 5.926 -3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.865 7.023 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.514 7.615 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.721 7.543 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.338 8.183 -3.789 1.00 0.00 H new ATOM 799 N TYR A 57 -4.970 5.435 -6.223 1.00 0.00 N ATOM 800 CA TYR A 57 -5.642 4.780 -7.332 1.00 0.00 C ATOM 801 C TYR A 57 -6.222 5.807 -8.306 1.00 0.00 C ATOM 802 O TYR A 57 -6.625 6.896 -7.899 1.00 0.00 O ATOM 803 CB TYR A 57 -6.788 3.976 -6.715 1.00 0.00 C ATOM 804 CG TYR A 57 -6.345 2.676 -6.042 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.634 1.735 -6.760 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.655 2.443 -4.718 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.217 0.511 -6.127 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.238 1.219 -4.084 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.539 0.313 -4.820 1.00 0.00 C ATOM 810 OH TYR A 57 -5.145 -0.843 -4.222 1.00 0.00 O ATOM 0 H TYR A 57 -5.451 6.258 -5.860 1.00 0.00 H new ATOM 0 HA TYR A 57 -4.944 4.154 -7.888 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.299 4.597 -5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.514 3.741 -7.494 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.391 1.917 -7.796 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.211 3.179 -4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.661 -0.233 -6.677 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.475 1.025 -3.048 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.727 -1.429 -4.887 1.00 0.00 H new ATOM 820 N LEU A 58 -6.245 5.425 -9.575 1.00 0.00 N ATOM 821 CA LEU A 58 -6.769 6.299 -10.610 1.00 0.00 C ATOM 822 C LEU A 58 -8.268 6.042 -10.779 1.00 0.00 C ATOM 823 O LEU A 58 -8.883 6.533 -11.724 1.00 0.00 O ATOM 824 CB LEU A 58 -5.968 6.137 -11.904 1.00 0.00 C ATOM 825 CG LEU A 58 -4.465 6.404 -11.800 1.00 0.00 C ATOM 826 CD1 LEU A 58 -3.828 6.503 -13.187 1.00 0.00 C ATOM 827 CD2 LEU A 58 -4.186 7.646 -10.951 1.00 0.00 C ATOM 0 H LEU A 58 -5.909 4.522 -9.909 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.655 7.343 -10.320 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.112 5.121 -12.272 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.386 6.810 -12.653 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.002 5.557 -11.293 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.760 6.693 -13.084 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.980 5.567 -13.725 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.290 7.319 -13.742 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.110 7.813 -10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.664 8.513 -11.407 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.585 7.498 -9.947 1.00 0.00 H new ATOM 839 N ARG A 59 -8.812 5.273 -9.847 1.00 0.00 N ATOM 840 CA ARG A 59 -10.227 4.945 -9.881 1.00 0.00 C ATOM 841 C ARG A 59 -10.791 4.881 -8.460 1.00 0.00 C ATOM 842 O ARG A 59 -10.172 4.302 -7.568 1.00 0.00 O ATOM 843 CB ARG A 59 -10.465 3.604 -10.578 1.00 0.00 C ATOM 844 CG ARG A 59 -10.389 3.755 -12.098 1.00 0.00 C ATOM 845 CD ARG A 59 -11.512 4.656 -12.617 1.00 0.00 C ATOM 846 NE ARG A 59 -10.946 5.918 -13.144 1.00 0.00 N ATOM 847 CZ ARG A 59 -11.651 6.828 -13.830 1.00 0.00 C ATOM 848 NH1 ARG A 59 -12.952 6.621 -14.077 1.00 0.00 N ATOM 849 NH2 ARG A 59 -11.055 7.944 -14.270 1.00 0.00 N ATOM 0 H ARG A 59 -8.299 4.868 -9.064 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.736 5.728 -10.443 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.723 2.879 -10.243 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.442 3.212 -10.296 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.423 4.175 -12.377 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.458 2.774 -12.568 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.069 4.142 -13.401 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.217 4.871 -11.814 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.958 6.107 -12.975 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.406 5.771 -13.743 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.488 7.314 -14.599 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.065 8.101 -14.083 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.591 8.637 -14.792 1.00 0.00 H new ATOM 863 N LYS A 60 -11.960 5.483 -8.293 1.00 0.00 N ATOM 864 CA LYS A 60 -12.614 5.501 -6.996 1.00 0.00 C ATOM 865 C LYS A 60 -12.890 4.064 -6.548 1.00 0.00 C ATOM 866 O LYS A 60 -12.465 3.654 -5.469 1.00 0.00 O ATOM 867 CB LYS A 60 -13.864 6.382 -7.039 1.00 0.00 C ATOM 868 CG LYS A 60 -14.533 6.452 -5.664 1.00 0.00 C ATOM 869 CD LYS A 60 -15.908 7.115 -5.757 1.00 0.00 C ATOM 870 CE LYS A 60 -16.686 6.951 -4.449 1.00 0.00 C ATOM 871 NZ LYS A 60 -18.051 7.505 -4.585 1.00 0.00 N ATOM 0 H LYS A 60 -12.471 5.962 -9.035 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.961 5.949 -6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.595 7.386 -7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.568 5.985 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.637 5.447 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.901 7.013 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.790 8.175 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.473 6.674 -6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.740 5.896 -4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.160 7.458 -3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.565 7.386 -3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.993 8.517 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.556 7.003 -5.343 1.00 0.00 H new ATOM 885 N GLU A 61 -13.599 3.338 -7.400 1.00 0.00 N ATOM 886 CA GLU A 61 -13.936 1.956 -7.106 1.00 0.00 C ATOM 887 C GLU A 61 -12.690 1.190 -6.658 1.00 0.00 C ATOM 888 O GLU A 61 -12.704 0.526 -5.622 1.00 0.00 O ATOM 889 CB GLU A 61 -14.590 1.282 -8.314 1.00 0.00 C ATOM 890 CG GLU A 61 -16.108 1.203 -8.143 1.00 0.00 C ATOM 891 CD GLU A 61 -16.705 0.120 -9.044 1.00 0.00 C ATOM 892 OE1 GLU A 61 -16.639 -1.059 -8.635 1.00 0.00 O ATOM 893 OE2 GLU A 61 -17.215 0.496 -10.122 1.00 0.00 O ATOM 0 H GLU A 61 -13.949 3.681 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.659 1.944 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.351 1.840 -9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.182 0.279 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.350 0.989 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.555 2.168 -8.382 1.00 0.00 H new ATOM 900 N ASP A 62 -11.642 1.306 -7.460 1.00 0.00 N ATOM 901 CA ASP A 62 -10.391 0.632 -7.159 1.00 0.00 C ATOM 902 C ASP A 62 -10.065 0.811 -5.675 1.00 0.00 C ATOM 903 O ASP A 62 -9.702 -0.149 -4.996 1.00 0.00 O ATOM 904 CB ASP A 62 -9.237 1.224 -7.971 1.00 0.00 C ATOM 905 CG ASP A 62 -9.129 0.712 -9.409 1.00 0.00 C ATOM 906 OD1 ASP A 62 -9.932 -0.180 -9.755 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.245 1.225 -10.128 1.00 0.00 O ATOM 0 H ASP A 62 -11.634 1.857 -8.318 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.506 -0.422 -7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.348 2.308 -7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.302 1.010 -7.454 1.00 0.00 H new ATOM 912 N MET A 63 -10.205 2.045 -5.215 1.00 0.00 N ATOM 913 CA MET A 63 -9.931 2.362 -3.824 1.00 0.00 C ATOM 914 C MET A 63 -10.753 1.475 -2.887 1.00 0.00 C ATOM 915 O MET A 63 -10.196 0.684 -2.128 1.00 0.00 O ATOM 916 CB MET A 63 -10.263 3.832 -3.559 1.00 0.00 C ATOM 917 CG MET A 63 -9.726 4.279 -2.198 1.00 0.00 C ATOM 918 SD MET A 63 -10.113 6.000 -1.925 1.00 0.00 S ATOM 919 CE MET A 63 -11.810 6.028 -2.477 1.00 0.00 C ATOM 0 H MET A 63 -10.505 2.838 -5.782 1.00 0.00 H new ATOM 0 HA MET A 63 -8.874 2.180 -3.631 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.833 4.453 -4.345 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.343 3.976 -3.593 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.163 3.669 -1.407 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.647 4.129 -2.156 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.299 6.928 -2.105 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.838 6.024 -3.567 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.331 5.149 -2.097 1.00 0.00 H new ATOM 929 N GLU A 64 -12.065 1.637 -2.971 1.00 0.00 N ATOM 930 CA GLU A 64 -12.970 0.861 -2.140 1.00 0.00 C ATOM 931 C GLU A 64 -12.743 -0.635 -2.363 1.00 0.00 C ATOM 932 O GLU A 64 -12.712 -1.411 -1.408 1.00 0.00 O ATOM 933 CB GLU A 64 -14.427 1.241 -2.413 1.00 0.00 C ATOM 934 CG GLU A 64 -14.638 2.749 -2.259 1.00 0.00 C ATOM 935 CD GLU A 64 -16.074 3.061 -1.831 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.988 2.448 -2.423 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.224 3.905 -0.922 1.00 0.00 O ATOM 0 H GLU A 64 -12.523 2.294 -3.602 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.759 1.089 -1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.704 0.932 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.081 0.706 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.941 3.144 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.419 3.249 -3.203 1.00 0.00 H new ATOM 944 N TYR A 65 -12.591 -0.997 -3.628 1.00 0.00 N ATOM 945 CA TYR A 65 -12.367 -2.387 -3.988 1.00 0.00 C ATOM 946 C TYR A 65 -11.238 -2.994 -3.154 1.00 0.00 C ATOM 947 O TYR A 65 -11.471 -3.891 -2.345 1.00 0.00 O ATOM 948 CB TYR A 65 -11.952 -2.380 -5.460 1.00 0.00 C ATOM 949 CG TYR A 65 -11.528 -3.750 -5.994 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.239 -4.201 -5.791 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.434 -4.534 -6.678 1.00 0.00 C ATOM 952 CE1 TYR A 65 -9.840 -5.490 -6.293 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.035 -5.824 -7.179 1.00 0.00 C ATOM 954 CZ TYR A 65 -10.758 -6.238 -6.962 1.00 0.00 C ATOM 955 OH TYR A 65 -10.381 -7.456 -7.437 1.00 0.00 O ATOM 0 H TYR A 65 -12.619 -0.351 -4.417 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.265 -2.979 -3.810 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.783 -2.009 -6.059 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.127 -1.679 -5.591 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.530 -3.587 -5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.442 -4.181 -6.838 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.835 -5.855 -6.142 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.734 -6.449 -7.715 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.139 -7.879 -7.892 1.00 0.00 H new ATOM 965 N ALA A 66 -10.037 -2.481 -3.380 1.00 0.00 N ATOM 966 CA ALA A 66 -8.870 -2.962 -2.660 1.00 0.00 C ATOM 967 C ALA A 66 -9.104 -2.805 -1.156 1.00 0.00 C ATOM 968 O ALA A 66 -8.717 -3.669 -0.370 1.00 0.00 O ATOM 969 CB ALA A 66 -7.628 -2.208 -3.138 1.00 0.00 C ATOM 0 H ALA A 66 -9.847 -1.737 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.705 -4.021 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.753 -2.569 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.490 -2.375 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.755 -1.142 -2.951 1.00 0.00 H new ATOM 975 N LEU A 67 -9.737 -1.697 -0.800 1.00 0.00 N ATOM 976 CA LEU A 67 -10.028 -1.416 0.596 1.00 0.00 C ATOM 977 C LEU A 67 -10.700 -2.636 1.228 1.00 0.00 C ATOM 978 O LEU A 67 -10.197 -3.191 2.204 1.00 0.00 O ATOM 979 CB LEU A 67 -10.844 -0.129 0.725 1.00 0.00 C ATOM 980 CG LEU A 67 -10.044 1.176 0.716 1.00 0.00 C ATOM 981 CD1 LEU A 67 -10.972 2.387 0.596 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.135 1.270 1.943 1.00 0.00 C ATOM 0 H LEU A 67 -10.057 -0.983 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.106 -1.238 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.565 -0.096 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.415 -0.176 1.652 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.399 1.176 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.378 3.301 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.540 2.319 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.659 2.404 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.578 2.206 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.741 1.238 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.437 0.433 1.944 1.00 0.00 H new ATOM 994 N ARG A 68 -11.828 -3.019 0.646 1.00 0.00 N ATOM 995 CA ARG A 68 -12.574 -4.163 1.140 1.00 0.00 C ATOM 996 C ARG A 68 -11.846 -5.463 0.792 1.00 0.00 C ATOM 997 O ARG A 68 -11.367 -6.167 1.680 1.00 0.00 O ATOM 998 CB ARG A 68 -13.983 -4.201 0.544 1.00 0.00 C ATOM 999 CG ARG A 68 -14.676 -2.845 0.690 1.00 0.00 C ATOM 1000 CD ARG A 68 -14.773 -2.434 2.161 1.00 0.00 C ATOM 1001 NE ARG A 68 -15.636 -1.239 2.297 1.00 0.00 N ATOM 1002 CZ ARG A 68 -16.972 -1.262 2.194 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -17.606 -2.417 1.953 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -17.674 -0.129 2.332 1.00 0.00 N ATOM 0 H ARG A 68 -12.243 -2.557 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.652 -4.065 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -13.929 -4.474 -0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.572 -4.970 1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.123 -2.088 0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.675 -2.894 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.180 -3.256 2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.779 -2.221 2.554 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.186 -0.342 2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -17.072 -3.280 1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.623 -2.434 1.875 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.192 0.751 2.515 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.691 -0.146 2.254 1.00 0.00 H new ATOM 1018 N LYS A 69 -11.785 -5.741 -0.502 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.123 -6.944 -0.978 1.00 0.00 C ATOM 1020 C LYS A 69 -9.915 -7.242 -0.087 1.00 0.00 C ATOM 1021 O LYS A 69 -9.860 -8.285 0.562 1.00 0.00 O ATOM 1022 CB LYS A 69 -10.775 -6.812 -2.462 1.00 0.00 C ATOM 1023 CG LYS A 69 -11.947 -7.255 -3.341 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.028 -6.174 -3.399 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.135 -6.558 -4.383 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.288 -7.143 -3.663 1.00 0.00 N ATOM 0 H LYS A 69 -12.183 -5.154 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.792 -7.801 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.517 -5.777 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.897 -7.417 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.590 -7.471 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.372 -8.179 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.454 -6.027 -2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.583 -5.225 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.455 -5.678 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.751 -7.274 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.030 -7.398 -4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.981 -7.994 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.664 -6.448 -2.987 1.00 0.00 H new ATOM 1040 N LEU A 70 -8.976 -6.307 -0.086 1.00 0.00 N ATOM 1041 CA LEU A 70 -7.772 -6.457 0.714 1.00 0.00 C ATOM 1042 C LEU A 70 -8.149 -6.476 2.197 1.00 0.00 C ATOM 1043 O LEU A 70 -7.868 -7.446 2.900 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.751 -5.376 0.353 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.504 -5.159 -1.141 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.613 -3.938 -1.378 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -5.934 -6.420 -1.793 1.00 0.00 C ATOM 0 H LEU A 70 -9.025 -5.443 -0.626 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.286 -7.408 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.082 -4.432 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.802 -5.629 0.825 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.462 -4.956 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.453 -3.806 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.097 -3.050 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.653 -4.087 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.768 -6.237 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.988 -6.680 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.639 -7.243 -1.672 1.00 0.00 H new ATOM 1059 N ASP A 71 -8.779 -5.394 2.628 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.198 -5.274 4.014 1.00 0.00 C ATOM 1061 C ASP A 71 -8.577 -6.410 4.830 1.00 0.00 C ATOM 1062 O ASP A 71 -9.138 -7.502 4.908 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.719 -5.378 4.141 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.272 -5.090 5.538 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -10.482 -5.216 6.499 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.473 -4.750 5.614 1.00 0.00 O ATOM 0 H ASP A 71 -9.010 -4.592 2.042 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.871 -4.301 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.176 -4.684 3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.026 -6.381 3.845 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.427 -6.113 5.417 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.723 -7.096 6.224 1.00 0.00 C ATOM 1073 C ASP A 72 -6.354 -8.297 5.351 1.00 0.00 C ATOM 1074 O ASP A 72 -7.226 -9.057 4.934 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.603 -7.598 7.371 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.894 -8.503 8.381 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.310 -7.941 9.333 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -6.952 -9.735 8.178 1.00 0.00 O ATOM 0 H ASP A 72 -6.965 -5.206 5.350 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.832 -6.620 6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.010 -6.737 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.448 -8.142 6.949 1.00 0.00 H new ATOM 1083 N THR A 73 -5.060 -8.429 5.100 1.00 0.00 N ATOM 1084 CA THR A 73 -4.564 -9.525 4.283 1.00 0.00 C ATOM 1085 C THR A 73 -3.127 -9.873 4.674 1.00 0.00 C ATOM 1086 O THR A 73 -2.415 -9.044 5.239 1.00 0.00 O ATOM 1087 CB THR A 73 -4.715 -9.125 2.814 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.815 -7.704 2.849 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.049 -9.578 2.217 1.00 0.00 C ATOM 0 H THR A 73 -4.340 -7.796 5.447 1.00 0.00 H new ATOM 0 HA THR A 73 -5.141 -10.435 4.448 1.00 0.00 H new ATOM 0 HB THR A 73 -3.895 -9.552 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.759 -7.443 2.868 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.104 -9.269 1.173 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.125 -10.664 2.278 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.869 -9.125 2.774 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.743 -11.101 4.359 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.403 -11.570 4.670 1.00 0.00 C ATOM 1099 C LYS A 74 -0.430 -11.062 3.605 1.00 0.00 C ATOM 1100 O LYS A 74 -0.327 -11.643 2.525 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.393 -13.091 4.837 1.00 0.00 C ATOM 1102 CG LYS A 74 0.023 -13.603 5.109 1.00 0.00 C ATOM 1103 CD LYS A 74 0.015 -15.103 5.412 1.00 0.00 C ATOM 1104 CE LYS A 74 0.680 -15.893 4.283 1.00 0.00 C ATOM 1105 NZ LYS A 74 1.131 -17.215 4.773 1.00 0.00 N ATOM 0 H LYS A 74 -3.337 -11.786 3.891 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.070 -11.165 5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.050 -13.375 5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.787 -13.562 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.657 -13.406 4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.454 -13.061 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.538 -15.291 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.011 -15.445 5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.022 -16.024 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.530 -15.334 3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.580 -17.739 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.817 -17.084 5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.313 -17.752 5.125 1.00 0.00 H new ATOM 1119 N PHE A 75 0.260 -9.984 3.945 1.00 0.00 N ATOM 1120 CA PHE A 75 1.222 -9.391 3.032 1.00 0.00 C ATOM 1121 C PHE A 75 2.595 -10.049 3.178 1.00 0.00 C ATOM 1122 O PHE A 75 3.172 -10.055 4.265 1.00 0.00 O ATOM 1123 CB PHE A 75 1.337 -7.911 3.401 1.00 0.00 C ATOM 1124 CG PHE A 75 2.480 -7.180 2.694 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.520 -7.134 1.335 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.456 -6.576 3.424 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.581 -6.455 0.679 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.516 -5.897 2.767 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.556 -5.851 1.408 1.00 0.00 C ATOM 0 H PHE A 75 0.172 -9.505 4.841 1.00 0.00 H new ATOM 0 HA PHE A 75 0.891 -9.529 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.398 -7.413 3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.476 -7.826 4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.745 -7.614 0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.425 -6.613 4.503 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.613 -6.419 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.291 -5.417 3.346 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.362 -5.335 0.909 1.00 0.00 H new ATOM 1139 N ARG A 76 3.080 -10.588 2.069 1.00 0.00 N ATOM 1140 CA ARG A 76 4.374 -11.247 2.060 1.00 0.00 C ATOM 1141 C ARG A 76 5.484 -10.235 1.770 1.00 0.00 C ATOM 1142 O ARG A 76 5.547 -9.673 0.677 1.00 0.00 O ATOM 1143 CB ARG A 76 4.420 -12.358 1.009 1.00 0.00 C ATOM 1144 CG ARG A 76 5.645 -13.252 1.209 1.00 0.00 C ATOM 1145 CD ARG A 76 5.544 -14.520 0.358 1.00 0.00 C ATOM 1146 NE ARG A 76 6.855 -14.822 -0.257 1.00 0.00 N ATOM 1147 CZ ARG A 76 7.321 -14.228 -1.364 1.00 0.00 C ATOM 1148 NH1 ARG A 76 6.584 -13.295 -1.984 1.00 0.00 N ATOM 1149 NH2 ARG A 76 8.522 -14.566 -1.852 1.00 0.00 N ATOM 0 H ARG A 76 2.599 -10.581 1.170 1.00 0.00 H new ATOM 0 HA ARG A 76 4.527 -11.688 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.513 -12.959 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.445 -11.919 0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.548 -12.702 0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.734 -13.522 2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.221 -15.358 0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.791 -14.388 -0.418 1.00 0.00 H new ATOM 0 HE ARG A 76 7.441 -15.527 0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.669 -13.038 -1.613 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.938 -12.842 -2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.083 -15.276 -1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.876 -14.113 -2.695 1.00 0.00 H new ATOM 1163 N SER A 77 6.332 -10.031 2.768 1.00 0.00 N ATOM 1164 CA SER A 77 7.435 -9.096 2.634 1.00 0.00 C ATOM 1165 C SER A 77 8.475 -9.650 1.657 1.00 0.00 C ATOM 1166 O SER A 77 8.474 -10.842 1.355 1.00 0.00 O ATOM 1167 CB SER A 77 8.082 -8.808 3.990 1.00 0.00 C ATOM 1168 OG SER A 77 8.839 -9.917 4.467 1.00 0.00 O ATOM 0 H SER A 77 6.277 -10.498 3.673 1.00 0.00 H new ATOM 0 HA SER A 77 7.042 -8.158 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.731 -7.936 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.308 -8.559 4.715 1.00 0.00 H new ATOM 0 HG SER A 77 8.230 -10.626 4.763 1.00 0.00 H new ATOM 1174 N HIS A 78 9.337 -8.758 1.192 1.00 0.00 N ATOM 1175 CA HIS A 78 10.380 -9.144 0.256 1.00 0.00 C ATOM 1176 C HIS A 78 11.325 -10.145 0.924 1.00 0.00 C ATOM 1177 O HIS A 78 12.076 -10.844 0.245 1.00 0.00 O ATOM 1178 CB HIS A 78 11.108 -7.911 -0.283 1.00 0.00 C ATOM 1179 CG HIS A 78 12.324 -7.515 0.519 1.00 0.00 C ATOM 1180 ND1 HIS A 78 13.480 -7.024 -0.063 1.00 0.00 N ATOM 1181 CD2 HIS A 78 12.552 -7.543 1.864 1.00 0.00 C ATOM 1182 CE1 HIS A 78 14.357 -6.771 0.897 1.00 0.00 C ATOM 1183 NE2 HIS A 78 13.781 -7.094 2.090 1.00 0.00 N ATOM 0 H HIS A 78 9.335 -7.770 1.445 1.00 0.00 H new ATOM 0 HA HIS A 78 9.934 -9.639 -0.607 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.411 -8.102 -1.312 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.412 -7.072 -0.306 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.852 -7.874 2.617 1.00 0.00 H new ATOM 0 HE1 HIS A 78 15.353 -6.378 0.759 1.00 0.00 H new ATOM 0 HE2 HIS A 78 14.222 -7.005 3.006 1.00 0.00 H new ATOM 1191 N GLU A 79 11.257 -10.182 2.247 1.00 0.00 N ATOM 1192 CA GLU A 79 12.097 -11.086 3.014 1.00 0.00 C ATOM 1193 C GLU A 79 11.354 -12.395 3.289 1.00 0.00 C ATOM 1194 O GLU A 79 11.850 -13.252 4.020 1.00 0.00 O ATOM 1195 CB GLU A 79 12.557 -10.432 4.319 1.00 0.00 C ATOM 1196 CG GLU A 79 13.941 -9.799 4.156 1.00 0.00 C ATOM 1197 CD GLU A 79 15.046 -10.801 4.499 1.00 0.00 C ATOM 1198 OE1 GLU A 79 15.267 -11.008 5.711 1.00 0.00 O ATOM 1199 OE2 GLU A 79 15.643 -11.336 3.540 1.00 0.00 O ATOM 0 H GLU A 79 10.633 -9.601 2.807 1.00 0.00 H new ATOM 0 HA GLU A 79 12.986 -11.312 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.838 -9.671 4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.585 -11.178 5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.067 -9.450 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.024 -8.925 4.803 1.00 0.00 H new ATOM 1206 N GLY A 80 10.178 -12.509 2.690 1.00 0.00 N ATOM 1207 CA GLY A 80 9.363 -13.699 2.862 1.00 0.00 C ATOM 1208 C GLY A 80 8.393 -13.535 4.033 1.00 0.00 C ATOM 1209 O GLY A 80 7.251 -13.989 3.967 1.00 0.00 O ATOM 0 H GLY A 80 9.770 -11.796 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.804 -13.897 1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.006 -14.562 3.036 1.00 0.00 H new ATOM 1213 N GLU A 81 8.882 -12.885 5.079 1.00 0.00 N ATOM 1214 CA GLU A 81 8.073 -12.656 6.264 1.00 0.00 C ATOM 1215 C GLU A 81 6.684 -12.150 5.868 1.00 0.00 C ATOM 1216 O GLU A 81 6.561 -11.235 5.056 1.00 0.00 O ATOM 1217 CB GLU A 81 8.762 -11.677 7.217 1.00 0.00 C ATOM 1218 CG GLU A 81 9.901 -12.360 7.975 1.00 0.00 C ATOM 1219 CD GLU A 81 10.700 -11.345 8.796 1.00 0.00 C ATOM 1220 OE1 GLU A 81 10.060 -10.646 9.611 1.00 0.00 O ATOM 1221 OE2 GLU A 81 11.931 -11.292 8.589 1.00 0.00 O ATOM 0 H GLU A 81 9.829 -12.510 5.130 1.00 0.00 H new ATOM 0 HA GLU A 81 7.957 -13.603 6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.152 -10.829 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.035 -11.281 7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.495 -13.127 8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.562 -12.863 7.269 1.00 0.00 H new ATOM 1228 N THR A 82 5.673 -12.769 6.460 1.00 0.00 N ATOM 1229 CA THR A 82 4.298 -12.393 6.180 1.00 0.00 C ATOM 1230 C THR A 82 3.680 -11.689 7.389 1.00 0.00 C ATOM 1231 O THR A 82 4.050 -11.966 8.529 1.00 0.00 O ATOM 1232 CB THR A 82 3.540 -13.654 5.758 1.00 0.00 C ATOM 1233 OG1 THR A 82 3.819 -14.590 6.796 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.132 -14.301 4.504 1.00 0.00 C ATOM 0 H THR A 82 5.779 -13.529 7.133 1.00 0.00 H new ATOM 0 HA THR A 82 4.243 -11.674 5.363 1.00 0.00 H new ATOM 0 HB THR A 82 2.494 -13.406 5.579 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.365 -15.437 6.604 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.557 -15.191 4.248 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.093 -13.593 3.676 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.168 -14.580 4.693 1.00 0.00 H new ATOM 1242 N SER A 83 2.750 -10.791 7.099 1.00 0.00 N ATOM 1243 CA SER A 83 2.078 -10.045 8.149 1.00 0.00 C ATOM 1244 C SER A 83 0.707 -9.572 7.659 1.00 0.00 C ATOM 1245 O SER A 83 0.416 -9.632 6.466 1.00 0.00 O ATOM 1246 CB SER A 83 2.920 -8.851 8.602 1.00 0.00 C ATOM 1247 OG SER A 83 4.082 -9.258 9.319 1.00 0.00 O ATOM 0 H SER A 83 2.446 -10.563 6.152 1.00 0.00 H new ATOM 0 HA SER A 83 1.943 -10.706 9.005 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.218 -8.266 7.732 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.315 -8.199 9.232 1.00 0.00 H new ATOM 0 HG SER A 83 4.180 -10.231 9.258 1.00 0.00 H new ATOM 1253 N TYR A 84 -0.098 -9.113 8.606 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.431 -8.631 8.286 1.00 0.00 C ATOM 1255 C TYR A 84 -1.455 -7.103 8.202 1.00 0.00 C ATOM 1256 O TYR A 84 -1.039 -6.420 9.137 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.330 -9.081 9.439 1.00 0.00 C ATOM 1258 CG TYR A 84 -2.727 -10.557 9.379 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.103 -11.122 8.177 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -2.708 -11.324 10.526 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -3.477 -12.512 8.120 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -3.081 -12.714 10.469 1.00 0.00 C ATOM 1263 CZ TYR A 84 -3.447 -13.239 9.269 1.00 0.00 C ATOM 1264 OH TYR A 84 -3.800 -14.552 9.216 1.00 0.00 O ATOM 0 H TYR A 84 0.147 -9.065 9.595 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.760 -9.021 7.323 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.817 -8.892 10.382 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.234 -8.472 9.440 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.117 -10.522 7.279 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.413 -10.882 11.466 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.774 -12.966 7.186 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.070 -13.326 11.359 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.730 -14.946 10.111 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.947 -6.612 7.074 1.00 0.00 N ATOM 1275 CA ILE A 85 -2.032 -5.178 6.856 1.00 0.00 C ATOM 1276 C ILE A 85 -3.489 -4.791 6.595 1.00 0.00 C ATOM 1277 O ILE A 85 -4.174 -5.437 5.804 1.00 0.00 O ATOM 1278 CB ILE A 85 -1.073 -4.748 5.745 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.475 -5.365 4.404 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.376 -5.073 6.114 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.928 -4.543 3.235 1.00 0.00 C ATOM 0 H ILE A 85 -2.291 -7.182 6.301 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.714 -4.638 7.747 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.142 -3.666 5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.099 -6.386 4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.561 -5.421 4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.037 -4.757 5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.645 -4.547 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.480 -6.147 6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.228 -5.004 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.325 -3.529 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.160 -4.510 3.291 1.00 0.00 H new ATOM 1293 N ARG A 86 -3.919 -3.739 7.276 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.282 -3.258 7.127 1.00 0.00 C ATOM 1295 C ARG A 86 -5.356 -2.205 6.020 1.00 0.00 C ATOM 1296 O ARG A 86 -4.405 -1.455 5.807 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.798 -2.651 8.434 1.00 0.00 C ATOM 1298 CG ARG A 86 -6.581 -3.684 9.247 1.00 0.00 C ATOM 1299 CD ARG A 86 -5.742 -4.940 9.491 1.00 0.00 C ATOM 1300 NE ARG A 86 -5.802 -5.318 10.921 1.00 0.00 N ATOM 1301 CZ ARG A 86 -5.010 -4.799 11.869 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -4.093 -3.877 11.545 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -5.135 -5.202 13.141 1.00 0.00 N ATOM 0 H ARG A 86 -3.348 -3.206 7.932 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.907 -4.111 6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.959 -2.280 9.023 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.437 -1.796 8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.879 -3.251 10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.496 -3.951 8.718 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.111 -5.759 8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.708 -4.760 9.197 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.489 -6.017 11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.998 -3.570 10.577 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.490 -3.482 12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.833 -5.904 13.387 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.532 -4.807 13.863 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.495 -2.183 5.344 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.706 -1.234 4.264 1.00 0.00 C ATOM 1319 C VAL A 87 -7.916 -0.356 4.590 1.00 0.00 C ATOM 1320 O VAL A 87 -9.043 -0.846 4.655 1.00 0.00 O ATOM 1321 CB VAL A 87 -6.848 -1.978 2.934 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.463 -1.078 1.758 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.020 -3.264 2.934 1.00 0.00 C ATOM 0 H VAL A 87 -7.282 -2.807 5.523 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.844 -0.574 4.162 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.896 -2.254 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.573 -1.631 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.114 -0.204 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.427 -0.757 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.139 -3.773 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.969 -3.020 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.362 -3.917 3.737 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.642 0.925 4.787 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.694 1.875 5.105 1.00 0.00 C ATOM 1335 C TYR A 88 -8.450 3.216 4.410 1.00 0.00 C ATOM 1336 O TYR A 88 -7.318 3.535 4.047 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.633 2.080 6.619 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.258 2.511 7.134 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.218 1.605 7.167 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -7.058 3.807 7.566 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -4.925 2.010 7.652 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.764 4.212 8.051 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.761 3.294 8.070 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.539 3.677 8.527 1.00 0.00 O ATOM 0 H TYR A 88 -6.706 1.327 4.733 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.662 1.501 4.773 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.368 2.833 6.903 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.920 1.152 7.113 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.374 0.591 6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.872 4.517 7.540 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.103 1.310 7.683 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.594 5.222 8.392 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.569 4.621 8.790 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.558 3.986 4.241 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.475 5.286 3.597 1.00 0.00 C ATOM 1356 C PRO A 89 -8.854 6.324 4.534 1.00 0.00 C ATOM 1357 O PRO A 89 -8.584 6.032 5.697 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.904 5.621 3.203 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.792 4.722 4.048 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.914 3.642 4.658 1.00 0.00 C ATOM 0 HA PRO A 89 -8.825 5.281 2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.124 6.672 3.388 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.068 5.444 2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.286 5.299 4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.576 4.276 3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.002 3.627 5.744 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.199 2.652 4.301 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.646 7.515 3.991 1.00 0.00 N ATOM 1369 CA GLU A 90 -8.062 8.598 4.763 1.00 0.00 C ATOM 1370 C GLU A 90 -9.159 9.523 5.293 1.00 0.00 C ATOM 1371 O GLU A 90 -10.191 9.700 4.649 1.00 0.00 O ATOM 1372 CB GLU A 90 -7.042 9.377 3.931 1.00 0.00 C ATOM 1373 CG GLU A 90 -5.740 9.579 4.709 1.00 0.00 C ATOM 1374 CD GLU A 90 -5.414 11.067 4.855 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -5.748 11.817 3.912 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -4.838 11.421 5.907 1.00 0.00 O ATOM 0 H GLU A 90 -8.872 7.753 3.025 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.534 8.168 5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.837 8.840 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.458 10.345 3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.827 9.124 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.923 9.073 4.195 1.00 0.00 H new ATOM 1383 N ARG A 91 -8.897 10.090 6.462 1.00 0.00 N ATOM 1384 CA ARG A 91 -9.850 10.993 7.086 1.00 0.00 C ATOM 1385 C ARG A 91 -9.611 12.427 6.610 1.00 0.00 C ATOM 1386 O ARG A 91 -8.478 12.809 6.323 1.00 0.00 O ATOM 1387 CB ARG A 91 -9.738 10.943 8.611 1.00 0.00 C ATOM 1388 CG ARG A 91 -8.530 11.746 9.098 1.00 0.00 C ATOM 1389 CD ARG A 91 -8.305 11.543 10.598 1.00 0.00 C ATOM 1390 NE ARG A 91 -7.582 10.273 10.834 1.00 0.00 N ATOM 1391 CZ ARG A 91 -8.184 9.093 11.037 1.00 0.00 C ATOM 1392 NH1 ARG A 91 -9.521 9.013 11.036 1.00 0.00 N ATOM 1393 NH2 ARG A 91 -7.447 7.992 11.243 1.00 0.00 N ATOM 0 H ARG A 91 -8.039 9.942 6.993 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.851 10.672 6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.648 11.341 9.059 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.647 9.907 8.939 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.640 11.440 8.548 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.685 12.805 8.890 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.734 12.377 11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.262 11.528 11.119 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.562 10.298 10.843 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.082 9.851 10.881 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.978 8.114 11.191 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.429 8.053 11.245 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.905 7.094 11.398 1.00 0.00 H new ATOM 1407 N SER A 92 -10.697 13.182 6.542 1.00 0.00 N ATOM 1408 CA SER A 92 -10.621 14.566 6.105 1.00 0.00 C ATOM 1409 C SER A 92 -11.846 15.339 6.598 1.00 0.00 C ATOM 1410 O SER A 92 -12.974 15.026 6.221 1.00 0.00 O ATOM 1411 CB SER A 92 -10.512 14.658 4.582 1.00 0.00 C ATOM 1412 OG SER A 92 -9.580 15.655 4.172 1.00 0.00 O ATOM 0 H SER A 92 -11.635 12.862 6.782 1.00 0.00 H new ATOM 0 HA SER A 92 -9.723 15.011 6.533 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.208 13.691 4.181 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.492 14.883 4.161 1.00 0.00 H new ATOM 0 HG SER A 92 -9.538 15.681 3.193 1.00 0.00 H new ATOM 1418 N SER A 93 -11.582 16.333 7.433 1.00 0.00 N ATOM 1419 CA SER A 93 -12.649 17.153 7.981 1.00 0.00 C ATOM 1420 C SER A 93 -12.065 18.227 8.901 1.00 0.00 C ATOM 1421 O SER A 93 -10.895 18.158 9.276 1.00 0.00 O ATOM 1422 CB SER A 93 -13.665 16.299 8.741 1.00 0.00 C ATOM 1423 OG SER A 93 -13.096 15.697 9.901 1.00 0.00 O ATOM 0 H SER A 93 -10.645 16.589 7.743 1.00 0.00 H new ATOM 0 HA SER A 93 -13.168 17.636 7.153 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.513 16.919 9.033 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.051 15.522 8.081 1.00 0.00 H new ATOM 0 HG SER A 93 -13.777 15.162 10.359 1.00 0.00 H new ATOM 1429 N GLY A 94 -12.905 19.194 9.237 1.00 0.00 N ATOM 1430 CA GLY A 94 -12.486 20.281 10.106 1.00 0.00 C ATOM 1431 C GLY A 94 -13.696 21.025 10.676 1.00 0.00 C ATOM 1432 O GLY A 94 -14.726 21.140 10.014 1.00 0.00 O ATOM 0 H GLY A 94 -13.874 19.248 8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.880 19.886 10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.857 20.975 9.549 1.00 0.00 H new ATOM 1436 N PRO A 95 -13.526 21.523 11.930 1.00 0.00 N ATOM 1437 CA PRO A 95 -14.591 22.252 12.596 1.00 0.00 C ATOM 1438 C PRO A 95 -14.735 23.662 12.019 1.00 0.00 C ATOM 1439 O PRO A 95 -14.332 24.638 12.648 1.00 0.00 O ATOM 1440 CB PRO A 95 -14.209 22.249 14.067 1.00 0.00 C ATOM 1441 CG PRO A 95 -12.724 21.928 14.112 1.00 0.00 C ATOM 1442 CD PRO A 95 -12.319 21.405 12.743 1.00 0.00 C ATOM 0 HA PRO A 95 -15.569 21.793 12.451 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.413 23.217 14.525 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.786 21.507 14.619 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.148 22.818 14.366 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.517 21.184 14.881 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.500 21.988 12.323 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.978 20.371 12.799 1.00 0.00 H new ATOM 1450 N SER A 96 -15.312 23.722 10.827 1.00 0.00 N ATOM 1451 CA SER A 96 -15.514 24.996 10.158 1.00 0.00 C ATOM 1452 C SER A 96 -17.006 25.331 10.110 1.00 0.00 C ATOM 1453 O SER A 96 -17.436 26.345 10.658 1.00 0.00 O ATOM 1454 CB SER A 96 -14.929 24.974 8.744 1.00 0.00 C ATOM 1455 OG SER A 96 -13.533 24.689 8.748 1.00 0.00 O ATOM 0 H SER A 96 -15.646 22.910 10.308 1.00 0.00 H new ATOM 0 HA SER A 96 -14.993 25.767 10.726 1.00 0.00 H new ATOM 0 HB2 SER A 96 -15.450 24.225 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 96 -15.101 25.938 8.266 1.00 0.00 H new ATOM 0 HG SER A 96 -13.198 24.682 7.827 1.00 0.00 H new ATOM 1461 N SER A 97 -17.755 24.459 9.450 1.00 0.00 N ATOM 1462 CA SER A 97 -19.190 24.650 9.324 1.00 0.00 C ATOM 1463 C SER A 97 -19.858 23.337 8.911 1.00 0.00 C ATOM 1464 O SER A 97 -19.179 22.380 8.541 1.00 0.00 O ATOM 1465 CB SER A 97 -19.512 25.751 8.311 1.00 0.00 C ATOM 1466 OG SER A 97 -18.851 25.541 7.066 1.00 0.00 O ATOM 0 H SER A 97 -17.395 23.619 8.997 1.00 0.00 H new ATOM 0 HA SER A 97 -19.581 24.960 10.293 1.00 0.00 H new ATOM 0 HB2 SER A 97 -20.589 25.790 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 97 -19.217 26.717 8.720 1.00 0.00 H new ATOM 0 HG SER A 97 -19.083 26.264 6.446 1.00 0.00 H new ATOM 1472 N GLY A 98 -21.180 23.333 8.989 1.00 0.00 N ATOM 1473 CA GLY A 98 -21.948 22.153 8.629 1.00 0.00 C ATOM 1474 C GLY A 98 -21.427 20.915 9.362 1.00 0.00 C ATOM 1475 O GLY A 98 -20.698 21.032 10.345 1.00 0.00 O ATOM 0 H GLY A 98 -21.740 24.128 9.296 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -22.998 22.310 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -21.892 21.993 7.552 1.00 0.00 H new TER 1479 GLY A 98