USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 589 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 58 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.47!) USER MOD Set 1.2: A 77 SER OG : rot 71:sc=-0.00224 USER MOD Set 2.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 64 ASN : amide:sc= 0.555 K(o=0.55,f=-6.5!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS :FLIP no HE2:sc= 0.0656 F(o=-0.58,f=0.066) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.27 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 73:sc= 0.62 USER MOD Single : A 60 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.5) USER MOD Single : A 65 MET CE :methyl -115:sc= -3.88! (180deg=-10!) USER MOD Single : A 67 HIS : no HE2:sc= -0.439 X(o=-0.44,f=-0.39) USER MOD Single : A 71 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.367 K(o=-0.37,f=-1.3) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 88 SER OG : rot -58:sc= 0.45 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.437 13.061 3.076 1.00 0.00 N ATOM 60 CA GLY A 7 -1.951 11.756 2.661 1.00 0.00 C ATOM 61 C GLY A 7 -1.206 11.060 3.802 1.00 0.00 C ATOM 62 O GLY A 7 -0.350 11.662 4.447 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.789 11.138 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.288 11.867 1.803 1.00 0.00 H new ATOM 66 N LEU A 8 -1.560 9.801 4.015 1.00 0.00 N ATOM 67 CA LEU A 8 -0.936 9.016 5.067 1.00 0.00 C ATOM 68 C LEU A 8 -0.182 7.841 4.441 1.00 0.00 C ATOM 69 O LEU A 8 -0.487 7.427 3.324 1.00 0.00 O ATOM 70 CB LEU A 8 -1.973 8.597 6.110 1.00 0.00 C ATOM 71 CG LEU A 8 -1.931 7.131 6.546 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.519 6.958 7.948 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.624 6.233 5.519 1.00 0.00 C ATOM 0 H LEU A 8 -2.271 9.305 3.477 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.202 9.615 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.844 9.222 6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.965 8.809 5.712 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.888 6.819 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.477 5.907 8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.944 7.550 8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.556 7.294 7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.580 5.196 5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.666 6.536 5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.121 6.325 4.557 1.00 0.00 H new ATOM 85 N THR A 9 0.788 7.336 5.189 1.00 0.00 N ATOM 86 CA THR A 9 1.588 6.217 4.722 1.00 0.00 C ATOM 87 C THR A 9 1.445 5.026 5.672 1.00 0.00 C ATOM 88 O THR A 9 1.056 5.192 6.827 1.00 0.00 O ATOM 89 CB THR A 9 3.031 6.699 4.566 1.00 0.00 C ATOM 90 OG1 THR A 9 2.977 7.609 3.470 1.00 0.00 O ATOM 91 CG2 THR A 9 3.970 5.591 4.084 1.00 0.00 C ATOM 0 H THR A 9 1.038 7.682 6.116 1.00 0.00 H new ATOM 0 HA THR A 9 1.242 5.862 3.751 1.00 0.00 H new ATOM 0 HB THR A 9 3.388 7.088 5.519 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.872 7.971 3.301 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.981 5.986 3.990 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.966 4.772 4.803 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.632 5.224 3.115 1.00 0.00 H new ATOM 99 N VAL A 10 1.767 3.851 5.151 1.00 0.00 N ATOM 100 CA VAL A 10 1.680 2.633 5.938 1.00 0.00 C ATOM 101 C VAL A 10 2.995 1.861 5.822 1.00 0.00 C ATOM 102 O VAL A 10 3.712 1.994 4.832 1.00 0.00 O ATOM 103 CB VAL A 10 0.464 1.814 5.500 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.415 1.677 3.977 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.457 0.440 6.174 1.00 0.00 C ATOM 0 H VAL A 10 2.089 3.717 4.192 1.00 0.00 H new ATOM 0 HA VAL A 10 1.534 2.868 6.992 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.432 2.348 5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.459 1.091 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.351 2.667 3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.318 1.176 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.417 -0.122 5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.361 -0.104 5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.422 0.566 7.256 1.00 0.00 H new ATOM 115 N ASP A 11 3.272 1.069 6.848 1.00 0.00 N ATOM 116 CA ASP A 11 4.488 0.275 6.874 1.00 0.00 C ATOM 117 C ASP A 11 4.141 -1.170 7.238 1.00 0.00 C ATOM 118 O ASP A 11 4.006 -1.502 8.414 1.00 0.00 O ATOM 119 CB ASP A 11 5.469 0.804 7.922 1.00 0.00 C ATOM 120 CG ASP A 11 5.364 2.303 8.208 1.00 0.00 C ATOM 121 OD1 ASP A 11 4.513 2.662 9.050 1.00 0.00 O ATOM 122 OD2 ASP A 11 6.137 3.057 7.578 1.00 0.00 O ATOM 0 H ASP A 11 2.674 0.961 7.668 1.00 0.00 H new ATOM 0 HA ASP A 11 4.949 0.332 5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.311 0.260 8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.484 0.583 7.592 1.00 0.00 H new ATOM 127 N VAL A 12 4.007 -1.990 6.206 1.00 0.00 N ATOM 128 CA VAL A 12 3.678 -3.392 6.402 1.00 0.00 C ATOM 129 C VAL A 12 4.950 -4.165 6.757 1.00 0.00 C ATOM 130 O VAL A 12 5.928 -4.134 6.012 1.00 0.00 O ATOM 131 CB VAL A 12 2.971 -3.942 5.162 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.469 -5.367 5.404 1.00 0.00 C ATOM 133 CG2 VAL A 12 1.826 -3.023 4.731 1.00 0.00 C ATOM 0 H VAL A 12 4.120 -1.711 5.232 1.00 0.00 H new ATOM 0 HA VAL A 12 2.984 -3.509 7.234 1.00 0.00 H new ATOM 0 HB VAL A 12 3.697 -3.976 4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.970 -5.734 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.313 -6.015 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.766 -5.368 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.340 -3.437 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.100 -2.942 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.221 -2.034 4.498 1.00 0.00 H new ATOM 143 N ALA A 13 4.896 -4.840 7.896 1.00 0.00 N ATOM 144 CA ALA A 13 6.031 -5.619 8.359 1.00 0.00 C ATOM 145 C ALA A 13 6.084 -6.941 7.591 1.00 0.00 C ATOM 146 O ALA A 13 5.171 -7.759 7.693 1.00 0.00 O ATOM 147 CB ALA A 13 5.926 -5.827 9.871 1.00 0.00 C ATOM 0 H ALA A 13 4.083 -4.863 8.512 1.00 0.00 H new ATOM 0 HA ALA A 13 6.964 -5.089 8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.778 -6.412 10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.922 -4.859 10.372 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.003 -6.359 10.102 1.00 0.00 H new ATOM 153 N GLY A 14 7.161 -7.109 6.839 1.00 0.00 N ATOM 154 CA GLY A 14 7.345 -8.318 6.053 1.00 0.00 C ATOM 155 C GLY A 14 7.710 -9.503 6.949 1.00 0.00 C ATOM 156 O GLY A 14 7.592 -9.423 8.171 1.00 0.00 O ATOM 0 H GLY A 14 7.916 -6.428 6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.431 -8.541 5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.131 -8.160 5.314 1.00 0.00 H new ATOM 160 N PRO A 15 8.159 -10.605 6.290 1.00 0.00 N ATOM 161 CA PRO A 15 8.269 -10.617 4.841 1.00 0.00 C ATOM 162 C PRO A 15 6.892 -10.745 4.188 1.00 0.00 C ATOM 163 O PRO A 15 5.870 -10.514 4.834 1.00 0.00 O ATOM 164 CB PRO A 15 9.187 -11.787 4.526 1.00 0.00 C ATOM 165 CG PRO A 15 9.182 -12.666 5.767 1.00 0.00 C ATOM 166 CD PRO A 15 8.572 -11.864 6.904 1.00 0.00 C ATOM 0 HA PRO A 15 8.678 -9.689 4.442 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.832 -12.338 3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.195 -11.442 4.296 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.606 -13.574 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.196 -12.976 6.019 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.723 -12.386 7.346 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.295 -11.697 7.703 1.00 0.00 H new ATOM 174 N ALA A 16 6.907 -11.112 2.915 1.00 0.00 N ATOM 175 CA ALA A 16 5.672 -11.273 2.167 1.00 0.00 C ATOM 176 C ALA A 16 5.097 -12.665 2.435 1.00 0.00 C ATOM 177 O ALA A 16 5.783 -13.531 2.976 1.00 0.00 O ATOM 178 CB ALA A 16 5.940 -11.029 0.680 1.00 0.00 C ATOM 0 H ALA A 16 7.756 -11.303 2.382 1.00 0.00 H new ATOM 0 HA ALA A 16 4.930 -10.542 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.013 -11.150 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.320 -10.017 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.678 -11.746 0.321 1.00 0.00 H new ATOM 184 N PRO A 17 3.809 -12.842 2.033 1.00 0.00 N ATOM 185 CA PRO A 17 3.068 -11.764 1.400 1.00 0.00 C ATOM 186 C PRO A 17 2.640 -10.715 2.429 1.00 0.00 C ATOM 187 O PRO A 17 2.895 -10.871 3.622 1.00 0.00 O ATOM 188 CB PRO A 17 1.891 -12.443 0.719 1.00 0.00 C ATOM 189 CG PRO A 17 1.757 -13.806 1.379 1.00 0.00 C ATOM 190 CD PRO A 17 3.028 -14.067 2.171 1.00 0.00 C ATOM 0 HA PRO A 17 3.666 -11.211 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.979 -11.859 0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.064 -12.543 -0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.887 -13.829 2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.610 -14.581 0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.806 -14.279 3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.569 -14.928 1.779 1.00 0.00 H new ATOM 198 N TRP A 18 1.996 -9.671 1.929 1.00 0.00 N ATOM 199 CA TRP A 18 1.530 -8.596 2.789 1.00 0.00 C ATOM 200 C TRP A 18 0.145 -8.978 3.314 1.00 0.00 C ATOM 201 O TRP A 18 -0.098 -8.943 4.519 1.00 0.00 O ATOM 202 CB TRP A 18 1.541 -7.257 2.050 1.00 0.00 C ATOM 203 CG TRP A 18 2.771 -7.045 1.165 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.827 -6.995 -0.173 1.00 0.00 C ATOM 205 CD2 TRP A 18 4.130 -6.855 1.613 1.00 0.00 C ATOM 206 NE1 TRP A 18 4.116 -6.787 -0.619 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.934 -6.699 0.502 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.662 -6.815 2.914 1.00 0.00 C ATOM 209 CZ2 TRP A 18 6.317 -6.494 0.579 1.00 0.00 C ATOM 210 CZ3 TRP A 18 6.045 -6.609 2.974 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.869 -6.451 1.865 1.00 0.00 C ATOM 0 H TRP A 18 1.786 -9.546 0.939 1.00 0.00 H new ATOM 0 HA TRP A 18 2.200 -8.464 3.638 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.645 -7.187 1.433 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.488 -6.450 2.781 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.970 -7.104 -0.821 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.414 -6.712 -1.592 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.052 -6.934 3.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.925 -6.375 -0.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.505 -6.570 3.950 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.930 -6.296 1.995 1.00 0.00 H new ATOM 222 N GLY A 19 -0.728 -9.335 2.383 1.00 0.00 N ATOM 223 CA GLY A 19 -2.083 -9.723 2.736 1.00 0.00 C ATOM 224 C GLY A 19 -3.090 -8.657 2.300 1.00 0.00 C ATOM 225 O GLY A 19 -4.102 -8.445 2.966 1.00 0.00 O ATOM 0 H GLY A 19 -0.523 -9.364 1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.327 -10.674 2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.153 -9.875 3.813 1.00 0.00 H new ATOM 229 N PHE A 20 -2.777 -8.015 1.184 1.00 0.00 N ATOM 230 CA PHE A 20 -3.642 -6.976 0.651 1.00 0.00 C ATOM 231 C PHE A 20 -3.641 -6.993 -0.879 1.00 0.00 C ATOM 232 O PHE A 20 -2.643 -7.360 -1.498 1.00 0.00 O ATOM 233 CB PHE A 20 -3.083 -5.637 1.135 1.00 0.00 C ATOM 234 CG PHE A 20 -1.829 -5.180 0.388 1.00 0.00 C ATOM 235 CD1 PHE A 20 -1.930 -4.699 -0.881 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.612 -5.254 0.992 1.00 0.00 C ATOM 237 CE1 PHE A 20 -0.766 -4.275 -1.574 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.552 -4.829 0.298 1.00 0.00 C ATOM 239 CZ PHE A 20 0.451 -4.349 -0.970 1.00 0.00 C ATOM 0 H PHE A 20 -1.937 -8.194 0.634 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.666 -7.135 0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.854 -4.874 1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.853 -5.714 2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.896 -4.640 -1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.531 -5.636 1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.846 -3.893 -2.581 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.518 -4.887 0.778 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.336 -4.027 -1.498 1.00 0.00 H new ATOM 249 N ARG A 21 -4.770 -6.593 -1.444 1.00 0.00 N ATOM 250 CA ARG A 21 -4.912 -6.557 -2.889 1.00 0.00 C ATOM 251 C ARG A 21 -5.028 -5.111 -3.376 1.00 0.00 C ATOM 252 O ARG A 21 -4.946 -4.176 -2.581 1.00 0.00 O ATOM 253 CB ARG A 21 -6.146 -7.341 -3.341 1.00 0.00 C ATOM 254 CG ARG A 21 -5.956 -8.842 -3.113 1.00 0.00 C ATOM 255 CD ARG A 21 -6.718 -9.656 -4.161 1.00 0.00 C ATOM 256 NE ARG A 21 -7.898 -10.299 -3.542 1.00 0.00 N ATOM 257 CZ ARG A 21 -8.963 -10.736 -4.229 1.00 0.00 C ATOM 258 NH1 ARG A 21 -9.001 -10.602 -5.562 1.00 0.00 N ATOM 259 NH2 ARG A 21 -9.989 -11.307 -3.583 1.00 0.00 N ATOM 0 H ARG A 21 -5.596 -6.291 -0.927 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.024 -7.019 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.022 -6.994 -2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.335 -7.151 -4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.895 -9.089 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.305 -9.109 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.034 -9.007 -4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.064 -10.415 -4.591 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.901 -10.417 -2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.220 -10.168 -6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.811 -10.934 -6.085 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.960 -11.409 -2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.799 -11.639 -4.106 1.00 0.00 H new ATOM 273 N ILE A 22 -5.218 -4.973 -4.680 1.00 0.00 N ATOM 274 CA ILE A 22 -5.346 -3.657 -5.282 1.00 0.00 C ATOM 275 C ILE A 22 -6.288 -3.741 -6.486 1.00 0.00 C ATOM 276 O ILE A 22 -6.593 -4.832 -6.964 1.00 0.00 O ATOM 277 CB ILE A 22 -3.968 -3.085 -5.619 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.213 -4.004 -6.581 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.166 -2.803 -4.347 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.116 -3.238 -7.324 1.00 0.00 C ATOM 0 H ILE A 22 -5.286 -5.751 -5.336 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.792 -2.957 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.109 -2.132 -6.129 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.772 -4.832 -6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.910 -4.436 -7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.190 -2.397 -4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.703 -2.082 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.033 -3.729 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.595 -3.915 -8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.563 -2.425 -7.896 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.407 -2.828 -6.604 1.00 0.00 H new ATOM 292 N SER A 23 -6.721 -2.574 -6.940 1.00 0.00 N ATOM 293 CA SER A 23 -7.621 -2.502 -8.078 1.00 0.00 C ATOM 294 C SER A 23 -7.209 -1.353 -9.000 1.00 0.00 C ATOM 295 O SER A 23 -6.210 -0.680 -8.750 1.00 0.00 O ATOM 296 CB SER A 23 -9.071 -2.324 -7.623 1.00 0.00 C ATOM 297 OG SER A 23 -9.966 -3.159 -8.353 1.00 0.00 O ATOM 0 H SER A 23 -6.465 -1.671 -6.540 1.00 0.00 H new ATOM 0 HA SER A 23 -7.554 -3.441 -8.627 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.148 -2.552 -6.560 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.365 -1.282 -7.747 1.00 0.00 H new ATOM 0 HG SER A 23 -10.881 -3.017 -8.032 1.00 0.00 H new ATOM 303 N GLY A 24 -7.999 -1.162 -10.046 1.00 0.00 N ATOM 304 CA GLY A 24 -7.729 -0.106 -11.006 1.00 0.00 C ATOM 305 C GLY A 24 -6.291 -0.188 -11.521 1.00 0.00 C ATOM 306 O GLY A 24 -5.812 -1.267 -11.867 1.00 0.00 O ATOM 0 H GLY A 24 -8.827 -1.722 -10.250 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.424 -0.184 -11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.898 0.865 -10.541 1.00 0.00 H new ATOM 310 N GLY A 25 -5.641 0.967 -11.556 1.00 0.00 N ATOM 311 CA GLY A 25 -4.267 1.039 -12.023 1.00 0.00 C ATOM 312 C GLY A 25 -4.183 1.760 -13.370 1.00 0.00 C ATOM 313 O GLY A 25 -5.175 1.849 -14.093 1.00 0.00 O ATOM 0 H GLY A 25 -6.041 1.860 -11.268 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.656 1.562 -11.288 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.858 0.033 -12.119 1.00 0.00 H new ATOM 317 N ARG A 26 -2.991 2.254 -13.667 1.00 0.00 N ATOM 318 CA ARG A 26 -2.765 2.964 -14.914 1.00 0.00 C ATOM 319 C ARG A 26 -3.418 2.215 -16.077 1.00 0.00 C ATOM 320 O ARG A 26 -3.994 2.832 -16.973 1.00 0.00 O ATOM 321 CB ARG A 26 -1.269 3.122 -15.195 1.00 0.00 C ATOM 322 CG ARG A 26 -1.033 3.776 -16.558 1.00 0.00 C ATOM 323 CD ARG A 26 -0.472 5.191 -16.397 1.00 0.00 C ATOM 324 NE ARG A 26 0.174 5.625 -17.656 1.00 0.00 N ATOM 325 CZ ARG A 26 0.338 6.906 -18.013 1.00 0.00 C ATOM 326 NH1 ARG A 26 -0.096 7.887 -17.209 1.00 0.00 N ATOM 327 NH2 ARG A 26 0.935 7.207 -19.174 1.00 0.00 N ATOM 0 H ARG A 26 -2.171 2.177 -13.065 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.212 3.954 -14.817 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.810 3.727 -14.413 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.785 2.146 -15.167 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.339 3.170 -17.141 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.969 3.813 -17.115 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.273 5.881 -16.133 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.250 5.214 -15.581 1.00 0.00 H new ATOM 0 HE ARG A 26 0.516 4.904 -18.291 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.551 7.658 -16.325 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.029 8.862 -17.481 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.265 6.461 -19.786 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.060 8.182 -19.446 1.00 0.00 H new ATOM 341 N ASP A 27 -3.308 0.896 -16.026 1.00 0.00 N ATOM 342 CA ASP A 27 -3.881 0.056 -17.065 1.00 0.00 C ATOM 343 C ASP A 27 -5.376 0.355 -17.189 1.00 0.00 C ATOM 344 O ASP A 27 -5.896 0.487 -18.296 1.00 0.00 O ATOM 345 CB ASP A 27 -3.722 -1.427 -16.724 1.00 0.00 C ATOM 346 CG ASP A 27 -3.171 -2.296 -17.856 1.00 0.00 C ATOM 347 OD1 ASP A 27 -3.248 -1.833 -19.015 1.00 0.00 O ATOM 348 OD2 ASP A 27 -2.685 -3.402 -17.537 1.00 0.00 O ATOM 0 H ASP A 27 -2.831 0.388 -15.282 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.359 0.269 -17.998 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.061 -1.517 -15.862 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.693 -1.821 -16.423 1.00 0.00 H new ATOM 353 N PHE A 28 -6.025 0.453 -16.038 1.00 0.00 N ATOM 354 CA PHE A 28 -7.450 0.734 -16.004 1.00 0.00 C ATOM 355 C PHE A 28 -7.711 2.241 -15.963 1.00 0.00 C ATOM 356 O PHE A 28 -8.847 2.674 -15.773 1.00 0.00 O ATOM 357 CB PHE A 28 -8.001 0.099 -14.726 1.00 0.00 C ATOM 358 CG PHE A 28 -8.092 -1.428 -14.779 1.00 0.00 C ATOM 359 CD1 PHE A 28 -6.961 -2.179 -14.706 1.00 0.00 C ATOM 360 CD2 PHE A 28 -9.304 -2.033 -14.901 1.00 0.00 C ATOM 361 CE1 PHE A 28 -7.046 -3.596 -14.755 1.00 0.00 C ATOM 362 CE2 PHE A 28 -9.389 -3.449 -14.950 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.258 -4.201 -14.876 1.00 0.00 C ATOM 0 H PHE A 28 -5.590 0.343 -15.122 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.929 0.333 -16.897 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.367 0.386 -13.887 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.993 0.505 -14.529 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.999 -1.698 -14.611 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.202 -1.436 -14.961 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.148 -4.193 -14.696 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.352 -3.929 -15.046 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.322 -5.278 -14.913 1.00 0.00 H new ATOM 373 N HIS A 29 -6.640 3.000 -16.145 1.00 0.00 N ATOM 374 CA HIS A 29 -6.739 4.450 -16.131 1.00 0.00 C ATOM 375 C HIS A 29 -7.366 4.909 -14.813 1.00 0.00 C ATOM 376 O HIS A 29 -8.148 5.858 -14.791 1.00 0.00 O ATOM 377 CB HIS A 29 -7.501 4.954 -17.358 1.00 0.00 C ATOM 378 CG HIS A 29 -6.792 4.702 -18.667 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.134 3.599 -19.127 1.00 0.00 N flip ATOM 380 CD2 HIS A 29 -6.710 5.651 -19.671 1.00 0.00 C flip ATOM 381 CE1 HIS A 29 -5.676 3.860 -20.345 1.00 0.00 C flip ATOM 382 NE2 HIS A 29 -6.032 5.132 -20.684 1.00 0.00 N flip ATOM 0 H HIS A 29 -5.699 2.638 -16.303 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.742 4.887 -16.190 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.479 4.474 -17.388 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.675 6.025 -17.251 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -6.014 2.722 -18.620 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.128 6.646 -19.635 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.114 3.178 -20.965 1.00 0.00 H new ATOM 390 N THR A 30 -6.999 4.214 -13.746 1.00 0.00 N ATOM 391 CA THR A 30 -7.516 4.539 -12.428 1.00 0.00 C ATOM 392 C THR A 30 -6.408 4.430 -11.379 1.00 0.00 C ATOM 393 O THR A 30 -5.378 3.804 -11.621 1.00 0.00 O ATOM 394 CB THR A 30 -8.709 3.622 -12.149 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.267 2.337 -12.580 1.00 0.00 O ATOM 396 CG2 THR A 30 -9.906 3.927 -13.051 1.00 0.00 C ATOM 0 H THR A 30 -6.350 3.427 -13.768 1.00 0.00 H new ATOM 0 HA THR A 30 -7.863 5.571 -12.383 1.00 0.00 H new ATOM 0 HB THR A 30 -9.007 3.722 -11.105 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.043 1.760 -12.738 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.724 3.248 -12.812 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.229 4.956 -12.891 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.619 3.795 -14.094 1.00 0.00 H new ATOM 404 N PRO A 31 -6.664 5.067 -10.205 1.00 0.00 N ATOM 405 CA PRO A 31 -5.700 5.049 -9.118 1.00 0.00 C ATOM 406 C PRO A 31 -5.689 3.688 -8.418 1.00 0.00 C ATOM 407 O PRO A 31 -6.736 3.065 -8.248 1.00 0.00 O ATOM 408 CB PRO A 31 -6.119 6.186 -8.200 1.00 0.00 C ATOM 409 CG PRO A 31 -7.563 6.499 -8.559 1.00 0.00 C ATOM 410 CD PRO A 31 -7.873 5.819 -9.882 1.00 0.00 C ATOM 0 HA PRO A 31 -4.676 5.191 -9.462 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.031 5.896 -7.153 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.482 7.059 -8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.236 6.142 -7.780 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.711 7.576 -8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.737 5.161 -9.796 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.104 6.549 -10.658 1.00 0.00 H new ATOM 418 N ILE A 32 -4.494 3.268 -8.029 1.00 0.00 N ATOM 419 CA ILE A 32 -4.333 1.993 -7.351 1.00 0.00 C ATOM 420 C ILE A 32 -5.015 2.058 -5.983 1.00 0.00 C ATOM 421 O ILE A 32 -4.562 2.777 -5.093 1.00 0.00 O ATOM 422 CB ILE A 32 -2.855 1.604 -7.284 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.247 1.514 -8.685 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.664 0.309 -6.492 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.401 0.105 -9.260 1.00 0.00 C ATOM 0 H ILE A 32 -3.628 3.788 -8.170 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.822 1.198 -7.914 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.319 2.389 -6.751 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.733 2.234 -9.343 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.191 1.781 -8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.604 0.055 -6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.036 0.445 -5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.216 -0.498 -6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.961 0.068 -10.256 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.893 -0.610 -8.612 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.459 -0.149 -9.322 1.00 0.00 H new ATOM 437 N ILE A 33 -6.093 1.298 -5.858 1.00 0.00 N ATOM 438 CA ILE A 33 -6.842 1.260 -4.613 1.00 0.00 C ATOM 439 C ILE A 33 -6.861 -0.173 -4.077 1.00 0.00 C ATOM 440 O ILE A 33 -6.896 -1.128 -4.851 1.00 0.00 O ATOM 441 CB ILE A 33 -8.235 1.863 -4.807 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.152 3.373 -5.041 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.152 1.514 -3.633 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.213 3.832 -6.042 1.00 0.00 C ATOM 0 H ILE A 33 -6.466 0.704 -6.598 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.356 1.877 -3.857 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.676 1.423 -5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.287 3.899 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.161 3.633 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.136 1.955 -3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.248 0.431 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.727 1.907 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.132 4.909 -6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.060 3.322 -6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.204 3.592 -5.657 1.00 0.00 H new ATOM 456 N VAL A 34 -6.837 -0.277 -2.757 1.00 0.00 N ATOM 457 CA VAL A 34 -6.851 -1.577 -2.109 1.00 0.00 C ATOM 458 C VAL A 34 -8.283 -2.115 -2.085 1.00 0.00 C ATOM 459 O VAL A 34 -9.229 -1.363 -1.854 1.00 0.00 O ATOM 460 CB VAL A 34 -6.228 -1.474 -0.715 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.184 -2.842 -0.031 1.00 0.00 C ATOM 462 CG2 VAL A 34 -4.833 -0.850 -0.783 1.00 0.00 C ATOM 0 H VAL A 34 -6.808 0.518 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.245 -2.289 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.859 -0.819 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.737 -2.740 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.197 -3.232 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.587 -3.529 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.413 -0.788 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.188 -1.467 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.902 0.151 -1.209 1.00 0.00 H new ATOM 472 N THR A 35 -8.398 -3.413 -2.326 1.00 0.00 N ATOM 473 CA THR A 35 -9.699 -4.060 -2.335 1.00 0.00 C ATOM 474 C THR A 35 -9.810 -5.051 -1.175 1.00 0.00 C ATOM 475 O THR A 35 -10.824 -5.087 -0.479 1.00 0.00 O ATOM 476 CB THR A 35 -9.896 -4.707 -3.707 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.586 -5.116 -4.089 1.00 0.00 O ATOM 478 CG2 THR A 35 -10.297 -3.692 -4.781 1.00 0.00 C ATOM 0 H THR A 35 -7.611 -4.034 -2.516 1.00 0.00 H new ATOM 0 HA THR A 35 -10.501 -3.337 -2.182 1.00 0.00 H new ATOM 0 HB THR A 35 -10.659 -5.482 -3.637 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.621 -5.548 -4.968 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.424 -4.203 -5.735 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.235 -3.214 -4.498 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.518 -2.935 -4.876 1.00 0.00 H new ATOM 486 N LYS A 36 -8.753 -5.831 -1.002 1.00 0.00 N ATOM 487 CA LYS A 36 -8.719 -6.820 0.062 1.00 0.00 C ATOM 488 C LYS A 36 -7.605 -6.463 1.049 1.00 0.00 C ATOM 489 O LYS A 36 -6.530 -6.025 0.644 1.00 0.00 O ATOM 490 CB LYS A 36 -8.597 -8.229 -0.520 1.00 0.00 C ATOM 491 CG LYS A 36 -9.475 -9.219 0.249 1.00 0.00 C ATOM 492 CD LYS A 36 -8.754 -10.554 0.446 1.00 0.00 C ATOM 493 CE LYS A 36 -9.309 -11.303 1.658 1.00 0.00 C ATOM 494 NZ LYS A 36 -10.591 -11.960 1.319 1.00 0.00 N ATOM 0 H LYS A 36 -7.914 -5.798 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.655 -6.811 0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.889 -8.219 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.557 -8.553 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.740 -8.798 1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.407 -9.381 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.867 -11.167 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.687 -10.379 0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.589 -12.049 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.457 -10.609 2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.954 -12.464 2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.281 -11.241 1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.440 -12.637 0.544 1.00 0.00 H new ATOM 508 N VAL A 37 -7.902 -6.664 2.324 1.00 0.00 N ATOM 509 CA VAL A 37 -6.939 -6.369 3.372 1.00 0.00 C ATOM 510 C VAL A 37 -7.048 -7.426 4.472 1.00 0.00 C ATOM 511 O VAL A 37 -7.993 -7.413 5.259 1.00 0.00 O ATOM 512 CB VAL A 37 -7.149 -4.944 3.889 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.329 -4.695 5.157 1.00 0.00 C ATOM 514 CG2 VAL A 37 -6.814 -3.914 2.808 1.00 0.00 C ATOM 0 H VAL A 37 -8.796 -7.027 2.656 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.923 -6.412 2.980 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.203 -4.831 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.496 -3.675 5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.636 -5.397 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.270 -4.835 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.972 -2.910 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.772 -4.027 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.459 -4.071 1.944 1.00 0.00 H new ATOM 524 N THR A 38 -6.068 -8.318 4.491 1.00 0.00 N ATOM 525 CA THR A 38 -6.043 -9.380 5.481 1.00 0.00 C ATOM 526 C THR A 38 -6.302 -8.814 6.879 1.00 0.00 C ATOM 527 O THR A 38 -5.629 -7.878 7.308 1.00 0.00 O ATOM 528 CB THR A 38 -4.702 -10.108 5.360 1.00 0.00 C ATOM 529 OG1 THR A 38 -4.803 -10.819 4.130 1.00 0.00 O ATOM 530 CG2 THR A 38 -4.534 -11.205 6.413 1.00 0.00 C ATOM 0 H THR A 38 -5.286 -8.326 3.836 1.00 0.00 H new ATOM 0 HA THR A 38 -6.840 -10.103 5.305 1.00 0.00 H new ATOM 0 HB THR A 38 -3.889 -9.388 5.453 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.738 -10.189 3.382 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.566 -11.690 6.282 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.588 -10.765 7.409 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.328 -11.943 6.299 1.00 0.00 H new ATOM 606 N ALA A 43 -0.901 -6.405 6.764 1.00 0.00 N ATOM 607 CA ALA A 43 -1.392 -5.165 6.187 1.00 0.00 C ATOM 608 C ALA A 43 -2.246 -4.430 7.222 1.00 0.00 C ATOM 609 O ALA A 43 -1.826 -3.410 7.767 1.00 0.00 O ATOM 610 CB ALA A 43 -2.167 -5.471 4.904 1.00 0.00 C ATOM 0 HA ALA A 43 -0.562 -4.511 5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.535 -4.541 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.509 -5.968 4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.010 -6.123 5.135 1.00 0.00 H new ATOM 616 N GLU A 44 -3.429 -4.976 7.463 1.00 0.00 N ATOM 617 CA GLU A 44 -4.345 -4.384 8.423 1.00 0.00 C ATOM 618 C GLU A 44 -3.589 -3.948 9.679 1.00 0.00 C ATOM 619 O GLU A 44 -3.671 -2.791 10.088 1.00 0.00 O ATOM 620 CB GLU A 44 -5.475 -5.354 8.772 1.00 0.00 C ATOM 621 CG GLU A 44 -6.554 -4.661 9.607 1.00 0.00 C ATOM 622 CD GLU A 44 -7.839 -4.476 8.798 1.00 0.00 C ATOM 623 OE1 GLU A 44 -8.262 -5.470 8.168 1.00 0.00 O ATOM 624 OE2 GLU A 44 -8.370 -3.344 8.827 1.00 0.00 O ATOM 0 H GLU A 44 -3.774 -5.822 7.010 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.795 -3.501 7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.916 -5.749 7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.073 -6.203 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.764 -5.251 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.190 -3.691 9.945 1.00 0.00 H new ATOM 631 N ALA A 45 -2.869 -4.899 10.257 1.00 0.00 N ATOM 632 CA ALA A 45 -2.098 -4.627 11.459 1.00 0.00 C ATOM 633 C ALA A 45 -1.276 -3.353 11.256 1.00 0.00 C ATOM 634 O ALA A 45 -1.193 -2.514 12.152 1.00 0.00 O ATOM 635 CB ALA A 45 -1.224 -5.839 11.789 1.00 0.00 C ATOM 0 H ALA A 45 -2.803 -5.858 9.916 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.759 -4.460 12.309 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.646 -5.636 12.690 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.858 -6.711 11.953 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.545 -6.035 10.959 1.00 0.00 H new ATOM 641 N ALA A 46 -0.689 -3.248 10.072 1.00 0.00 N ATOM 642 CA ALA A 46 0.123 -2.090 9.740 1.00 0.00 C ATOM 643 C ALA A 46 -0.754 -0.837 9.753 1.00 0.00 C ATOM 644 O ALA A 46 -0.473 0.114 10.481 1.00 0.00 O ATOM 645 CB ALA A 46 0.802 -2.314 8.387 1.00 0.00 C ATOM 0 H ALA A 46 -0.760 -3.946 9.332 1.00 0.00 H new ATOM 0 HA ALA A 46 0.911 -1.948 10.480 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.411 -1.445 8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.436 -3.199 8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.043 -2.457 7.618 1.00 0.00 H new ATOM 651 N ASP A 47 -1.798 -0.876 8.938 1.00 0.00 N ATOM 652 CA ASP A 47 -2.717 0.246 8.846 1.00 0.00 C ATOM 653 C ASP A 47 -3.453 0.187 7.506 1.00 0.00 C ATOM 654 O ASP A 47 -4.565 0.699 7.381 1.00 0.00 O ATOM 655 CB ASP A 47 -1.970 1.579 8.917 1.00 0.00 C ATOM 656 CG ASP A 47 -2.106 2.327 10.244 1.00 0.00 C ATOM 657 OD1 ASP A 47 -3.224 2.822 10.504 1.00 0.00 O ATOM 658 OD2 ASP A 47 -1.090 2.386 10.969 1.00 0.00 O ATOM 0 H ASP A 47 -2.028 -1.666 8.336 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.414 0.180 9.681 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.912 1.396 8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.331 2.223 8.115 1.00 0.00 H new ATOM 663 N LEU A 48 -2.804 -0.442 6.537 1.00 0.00 N ATOM 664 CA LEU A 48 -3.383 -0.574 5.211 1.00 0.00 C ATOM 665 C LEU A 48 -4.875 -0.886 5.339 1.00 0.00 C ATOM 666 O LEU A 48 -5.330 -1.339 6.388 1.00 0.00 O ATOM 667 CB LEU A 48 -2.607 -1.604 4.388 1.00 0.00 C ATOM 668 CG LEU A 48 -2.560 -1.359 2.878 1.00 0.00 C ATOM 669 CD1 LEU A 48 -3.839 -1.856 2.201 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.285 0.114 2.570 1.00 0.00 C ATOM 0 H LEU A 48 -1.882 -0.866 6.644 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.300 0.365 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.584 -1.642 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.047 -2.586 4.563 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.732 -1.935 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.779 -1.670 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.952 -2.926 2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.698 -1.327 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.257 0.261 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.076 0.729 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.326 0.403 3.001 1.00 0.00 H new ATOM 682 N ARG A 49 -5.595 -0.632 4.257 1.00 0.00 N ATOM 683 CA ARG A 49 -7.027 -0.881 4.235 1.00 0.00 C ATOM 684 C ARG A 49 -7.562 -0.779 2.806 1.00 0.00 C ATOM 685 O ARG A 49 -6.955 -0.129 1.956 1.00 0.00 O ATOM 686 CB ARG A 49 -7.773 0.116 5.124 1.00 0.00 C ATOM 687 CG ARG A 49 -8.226 -0.543 6.428 1.00 0.00 C ATOM 688 CD ARG A 49 -8.364 0.492 7.546 1.00 0.00 C ATOM 689 NE ARG A 49 -7.382 0.214 8.618 1.00 0.00 N ATOM 690 CZ ARG A 49 -7.514 0.630 9.885 1.00 0.00 C ATOM 691 NH1 ARG A 49 -8.588 1.344 10.247 1.00 0.00 N ATOM 692 NH2 ARG A 49 -6.572 0.331 10.790 1.00 0.00 N ATOM 0 H ARG A 49 -5.214 -0.256 3.389 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.194 -1.888 4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.126 0.964 5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.639 0.507 4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.181 -1.046 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.507 -1.308 6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.205 1.494 7.147 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.375 0.468 7.953 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.552 -0.328 8.377 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.305 1.571 9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.689 1.661 11.211 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.755 -0.213 10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.672 0.648 11.754 1.00 0.00 H new ATOM 706 N PRO A 50 -8.723 -1.449 2.577 1.00 0.00 N ATOM 707 CA PRO A 50 -9.347 -1.440 1.265 1.00 0.00 C ATOM 708 C PRO A 50 -10.027 -0.098 0.990 1.00 0.00 C ATOM 709 O PRO A 50 -10.756 0.417 1.837 1.00 0.00 O ATOM 710 CB PRO A 50 -10.321 -2.607 1.285 1.00 0.00 C ATOM 711 CG PRO A 50 -10.547 -2.937 2.751 1.00 0.00 C ATOM 712 CD PRO A 50 -9.471 -2.230 3.559 1.00 0.00 C ATOM 0 HA PRO A 50 -8.626 -1.554 0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.258 -2.342 0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.914 -3.465 0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.538 -2.611 3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.499 -4.014 2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.908 -1.589 4.325 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.826 -2.945 4.071 1.00 0.00 H new ATOM 720 N GLY A 51 -9.765 0.431 -0.196 1.00 0.00 N ATOM 721 CA GLY A 51 -10.343 1.703 -0.593 1.00 0.00 C ATOM 722 C GLY A 51 -9.286 2.810 -0.589 1.00 0.00 C ATOM 723 O GLY A 51 -9.462 3.844 -1.232 1.00 0.00 O ATOM 0 H GLY A 51 -9.160 0.001 -0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.778 1.614 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.153 1.966 0.087 1.00 0.00 H new ATOM 727 N ASP A 52 -8.212 2.556 0.143 1.00 0.00 N ATOM 728 CA ASP A 52 -7.127 3.518 0.239 1.00 0.00 C ATOM 729 C ASP A 52 -6.453 3.659 -1.127 1.00 0.00 C ATOM 730 O ASP A 52 -6.072 2.664 -1.742 1.00 0.00 O ATOM 731 CB ASP A 52 -6.068 3.055 1.242 1.00 0.00 C ATOM 732 CG ASP A 52 -6.461 3.205 2.713 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.279 4.324 3.238 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.936 2.196 3.279 1.00 0.00 O ATOM 0 H ASP A 52 -8.069 1.698 0.676 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.547 4.468 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.839 2.007 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.152 3.619 1.067 1.00 0.00 H new ATOM 739 N ILE A 53 -6.328 4.904 -1.564 1.00 0.00 N ATOM 740 CA ILE A 53 -5.707 5.188 -2.846 1.00 0.00 C ATOM 741 C ILE A 53 -4.186 5.165 -2.688 1.00 0.00 C ATOM 742 O ILE A 53 -3.611 6.046 -2.051 1.00 0.00 O ATOM 743 CB ILE A 53 -6.246 6.499 -3.423 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.730 6.374 -3.776 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.409 6.956 -4.619 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.354 7.750 -4.014 1.00 0.00 C ATOM 0 H ILE A 53 -6.646 5.727 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.963 4.417 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.161 7.270 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.845 5.759 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.258 5.866 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.813 7.890 -5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.377 7.111 -4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.439 6.193 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.409 7.633 -4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.259 8.354 -3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.839 8.245 -4.837 1.00 0.00 H new ATOM 758 N ILE A 54 -3.577 4.148 -3.279 1.00 0.00 N ATOM 759 CA ILE A 54 -2.133 3.998 -3.212 1.00 0.00 C ATOM 760 C ILE A 54 -1.471 5.102 -4.039 1.00 0.00 C ATOM 761 O ILE A 54 -1.469 5.044 -5.268 1.00 0.00 O ATOM 762 CB ILE A 54 -1.720 2.585 -3.629 1.00 0.00 C ATOM 763 CG1 ILE A 54 -2.086 1.566 -2.548 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.234 2.532 -3.989 1.00 0.00 C ATOM 765 CD1 ILE A 54 -2.119 0.147 -3.122 1.00 0.00 C ATOM 0 H ILE A 54 -4.057 3.419 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.785 4.116 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.278 2.316 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.362 1.617 -1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.059 1.814 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.033 1.517 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.036 3.213 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.360 2.829 -3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.382 -0.558 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.861 0.094 -3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.138 -0.106 -3.523 1.00 0.00 H new ATOM 777 N VAL A 55 -0.926 6.081 -3.333 1.00 0.00 N ATOM 778 CA VAL A 55 -0.263 7.196 -3.987 1.00 0.00 C ATOM 779 C VAL A 55 1.058 6.715 -4.592 1.00 0.00 C ATOM 780 O VAL A 55 1.333 6.960 -5.765 1.00 0.00 O ATOM 781 CB VAL A 55 -0.082 8.350 -2.999 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.029 9.694 -3.729 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.188 8.345 -1.941 1.00 0.00 C ATOM 0 H VAL A 55 -0.930 6.125 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.875 7.578 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 55 0.871 8.207 -2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.100 10.497 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.809 9.697 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.958 9.847 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.036 9.175 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.158 8.451 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.160 7.405 -1.389 1.00 0.00 H new ATOM 793 N ALA A 56 1.840 6.039 -3.763 1.00 0.00 N ATOM 794 CA ALA A 56 3.125 5.521 -4.201 1.00 0.00 C ATOM 795 C ALA A 56 3.330 4.120 -3.622 1.00 0.00 C ATOM 796 O ALA A 56 2.531 3.658 -2.808 1.00 0.00 O ATOM 797 CB ALA A 56 4.234 6.491 -3.788 1.00 0.00 C ATOM 0 H ALA A 56 1.608 5.838 -2.790 1.00 0.00 H new ATOM 0 HA ALA A 56 3.154 5.436 -5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.198 6.103 -4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.058 7.463 -4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.237 6.600 -2.703 1.00 0.00 H new ATOM 803 N ILE A 57 4.404 3.483 -4.065 1.00 0.00 N ATOM 804 CA ILE A 57 4.724 2.144 -3.600 1.00 0.00 C ATOM 805 C ILE A 57 6.196 2.090 -3.187 1.00 0.00 C ATOM 806 O ILE A 57 7.080 1.994 -4.037 1.00 0.00 O ATOM 807 CB ILE A 57 4.343 1.105 -4.657 1.00 0.00 C ATOM 808 CG1 ILE A 57 2.843 1.147 -4.953 1.00 0.00 C ATOM 809 CG2 ILE A 57 4.808 -0.293 -4.244 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.487 0.224 -6.120 1.00 0.00 C ATOM 0 H ILE A 57 5.063 3.869 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 57 4.136 1.897 -2.716 1.00 0.00 H new ATOM 0 HB ILE A 57 4.860 1.355 -5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.285 0.848 -4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.544 2.168 -5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.525 -1.012 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.892 -0.296 -4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.339 -0.568 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.415 0.273 -6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.028 0.540 -7.012 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.765 -0.800 -5.872 1.00 0.00 H new ATOM 822 N ASN A 58 6.414 2.155 -1.882 1.00 0.00 N ATOM 823 CA ASN A 58 7.763 2.115 -1.345 1.00 0.00 C ATOM 824 C ASN A 58 8.452 3.456 -1.608 1.00 0.00 C ATOM 825 O ASN A 58 9.644 3.608 -1.344 1.00 0.00 O ATOM 826 CB ASN A 58 8.591 1.019 -2.019 1.00 0.00 C ATOM 827 CG ASN A 58 9.223 0.091 -0.979 1.00 0.00 C ATOM 828 OD1 ASN A 58 9.356 0.423 0.188 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.604 -1.087 -1.465 1.00 0.00 N ATOM 0 H ASN A 58 5.678 2.235 -1.180 1.00 0.00 H new ATOM 0 HA ASN A 58 7.695 1.911 -0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.957 0.440 -2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.372 1.472 -2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.037 -1.776 -0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.463 -1.301 -2.452 1.00 0.00 H new ATOM 836 N GLY A 59 7.672 4.394 -2.123 1.00 0.00 N ATOM 837 CA GLY A 59 8.191 5.717 -2.424 1.00 0.00 C ATOM 838 C GLY A 59 8.040 6.041 -3.912 1.00 0.00 C ATOM 839 O GLY A 59 8.200 7.190 -4.321 1.00 0.00 O ATOM 0 H GLY A 59 6.684 4.264 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.662 6.463 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.242 5.772 -2.141 1.00 0.00 H new ATOM 843 N GLN A 60 7.735 5.006 -4.681 1.00 0.00 N ATOM 844 CA GLN A 60 7.561 5.165 -6.115 1.00 0.00 C ATOM 845 C GLN A 60 6.100 5.484 -6.440 1.00 0.00 C ATOM 846 O GLN A 60 5.201 4.724 -6.084 1.00 0.00 O ATOM 847 CB GLN A 60 8.030 3.918 -6.867 1.00 0.00 C ATOM 848 CG GLN A 60 7.687 4.013 -8.355 1.00 0.00 C ATOM 849 CD GLN A 60 8.951 4.196 -9.198 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.920 4.811 -8.784 1.00 0.00 O ATOM 851 NE2 GLN A 60 8.886 3.630 -10.400 1.00 0.00 N ATOM 0 H GLN A 60 7.604 4.054 -4.338 1.00 0.00 H new ATOM 0 HA GLN A 60 8.178 6.001 -6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.107 3.799 -6.745 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.561 3.032 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.163 3.110 -8.670 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.009 4.850 -8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.044 3.130 -10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.679 3.696 -11.038 1.00 0.00 H new ATOM 860 N SER A 61 5.909 6.609 -7.114 1.00 0.00 N ATOM 861 CA SER A 61 4.573 7.038 -7.491 1.00 0.00 C ATOM 862 C SER A 61 3.760 5.840 -7.987 1.00 0.00 C ATOM 863 O SER A 61 4.310 4.914 -8.579 1.00 0.00 O ATOM 864 CB SER A 61 4.626 8.125 -8.566 1.00 0.00 C ATOM 865 OG SER A 61 5.618 7.852 -9.553 1.00 0.00 O ATOM 0 H SER A 61 6.657 7.236 -7.409 1.00 0.00 H new ATOM 0 HA SER A 61 4.088 7.460 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.651 8.208 -9.046 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.835 9.087 -8.099 1.00 0.00 H new ATOM 0 HG SER A 61 5.619 8.568 -10.222 1.00 0.00 H new ATOM 871 N ALA A 62 2.462 5.898 -7.726 1.00 0.00 N ATOM 872 CA ALA A 62 1.567 4.830 -8.139 1.00 0.00 C ATOM 873 C ALA A 62 0.471 5.407 -9.036 1.00 0.00 C ATOM 874 O ALA A 62 -0.388 4.673 -9.523 1.00 0.00 O ATOM 875 CB ALA A 62 1.000 4.132 -6.901 1.00 0.00 C ATOM 0 H ALA A 62 2.009 6.668 -7.234 1.00 0.00 H new ATOM 0 HA ALA A 62 2.106 4.080 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.329 3.331 -7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.817 3.714 -6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.450 4.853 -6.297 1.00 0.00 H new ATOM 881 N GLU A 63 0.535 6.716 -9.227 1.00 0.00 N ATOM 882 CA GLU A 63 -0.442 7.400 -10.058 1.00 0.00 C ATOM 883 C GLU A 63 -0.489 6.769 -11.451 1.00 0.00 C ATOM 884 O GLU A 63 -1.565 6.600 -12.023 1.00 0.00 O ATOM 885 CB GLU A 63 -0.137 8.897 -10.144 1.00 0.00 C ATOM 886 CG GLU A 63 -1.224 9.719 -9.449 1.00 0.00 C ATOM 887 CD GLU A 63 -2.114 10.428 -10.473 1.00 0.00 C ATOM 888 OE1 GLU A 63 -1.592 11.347 -11.139 1.00 0.00 O ATOM 889 OE2 GLU A 63 -3.296 10.033 -10.566 1.00 0.00 O ATOM 0 H GLU A 63 1.248 7.322 -8.821 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.423 7.289 -9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.829 9.102 -9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.062 9.197 -11.189 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.833 9.067 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.763 10.455 -8.791 1.00 0.00 H new ATOM 896 N ASN A 64 0.690 6.439 -11.956 1.00 0.00 N ATOM 897 CA ASN A 64 0.797 5.830 -13.271 1.00 0.00 C ATOM 898 C ASN A 64 1.408 4.434 -13.134 1.00 0.00 C ATOM 899 O ASN A 64 2.471 4.161 -13.689 1.00 0.00 O ATOM 900 CB ASN A 64 1.703 6.655 -14.187 1.00 0.00 C ATOM 901 CG ASN A 64 2.948 7.135 -13.440 1.00 0.00 C ATOM 902 OD1 ASN A 64 3.168 6.821 -12.281 1.00 0.00 O ATOM 903 ND2 ASN A 64 3.748 7.912 -14.164 1.00 0.00 N ATOM 0 H ASN A 64 1.580 6.582 -11.478 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.203 5.780 -13.702 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.000 6.055 -15.047 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.152 7.513 -14.572 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.605 8.284 -13.755 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.505 8.136 -15.129 1.00 0.00 H new ATOM 910 N MET A 65 0.709 3.587 -12.393 1.00 0.00 N ATOM 911 CA MET A 65 1.169 2.226 -12.176 1.00 0.00 C ATOM 912 C MET A 65 0.143 1.213 -12.687 1.00 0.00 C ATOM 913 O MET A 65 -1.021 1.247 -12.289 1.00 0.00 O ATOM 914 CB MET A 65 1.409 2.000 -10.682 1.00 0.00 C ATOM 915 CG MET A 65 2.856 2.324 -10.304 1.00 0.00 C ATOM 916 SD MET A 65 3.202 1.737 -8.655 1.00 0.00 S ATOM 917 CE MET A 65 4.906 2.246 -8.496 1.00 0.00 C ATOM 0 H MET A 65 -0.173 3.817 -11.935 1.00 0.00 H new ATOM 0 HA MET A 65 2.098 2.084 -12.728 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.729 2.625 -10.102 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.186 0.964 -10.427 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.539 1.859 -11.015 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.023 3.400 -10.358 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.543 1.365 -8.412 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.197 2.822 -9.374 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.020 2.862 -7.604 1.00 0.00 H new ATOM 927 N LEU A 66 0.612 0.334 -13.561 1.00 0.00 N ATOM 928 CA LEU A 66 -0.251 -0.687 -14.131 1.00 0.00 C ATOM 929 C LEU A 66 -0.578 -1.728 -13.059 1.00 0.00 C ATOM 930 O LEU A 66 0.202 -1.936 -12.131 1.00 0.00 O ATOM 931 CB LEU A 66 0.383 -1.281 -15.392 1.00 0.00 C ATOM 932 CG LEU A 66 0.917 -0.273 -16.412 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.237 -0.754 -17.017 1.00 0.00 C ATOM 934 CD2 LEU A 66 -0.130 0.028 -17.486 1.00 0.00 C ATOM 0 H LEU A 66 1.578 0.308 -13.888 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.197 -0.251 -14.452 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.203 -1.932 -15.090 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.358 -1.910 -15.886 1.00 0.00 H new ATOM 0 HG LEU A 66 1.122 0.663 -15.892 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.595 -0.020 -17.739 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.977 -0.876 -16.226 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.081 -1.709 -17.518 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.275 0.747 -18.198 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.390 -0.893 -18.008 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.022 0.444 -17.018 1.00 0.00 H new ATOM 946 N HIS A 67 -1.734 -2.355 -13.222 1.00 0.00 N ATOM 947 CA HIS A 67 -2.174 -3.370 -12.280 1.00 0.00 C ATOM 948 C HIS A 67 -1.085 -4.433 -12.124 1.00 0.00 C ATOM 949 O HIS A 67 -1.053 -5.152 -11.126 1.00 0.00 O ATOM 950 CB HIS A 67 -3.520 -3.959 -12.705 1.00 0.00 C ATOM 951 CG HIS A 67 -4.223 -4.735 -11.617 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.149 -4.160 -10.765 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.126 -6.046 -11.252 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.583 -5.092 -9.928 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.947 -6.259 -10.232 1.00 0.00 N ATOM 0 H HIS A 67 -2.379 -2.180 -13.992 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.334 -2.917 -11.301 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.170 -3.150 -13.038 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.364 -4.615 -13.561 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.447 -3.185 -10.779 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.489 -6.785 -11.715 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.312 -4.952 -9.144 1.00 0.00 H new ATOM 963 N ALA A 68 -0.219 -4.498 -13.124 1.00 0.00 N ATOM 964 CA ALA A 68 0.869 -5.461 -13.111 1.00 0.00 C ATOM 965 C ALA A 68 2.113 -4.810 -12.502 1.00 0.00 C ATOM 966 O ALA A 68 2.958 -5.495 -11.927 1.00 0.00 O ATOM 967 CB ALA A 68 1.115 -5.974 -14.531 1.00 0.00 C ATOM 0 H ALA A 68 -0.249 -3.899 -13.949 1.00 0.00 H new ATOM 0 HA ALA A 68 0.612 -6.322 -12.494 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.931 -6.696 -14.521 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.211 -6.453 -14.906 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.378 -5.138 -15.179 1.00 0.00 H new ATOM 973 N GLU A 69 2.186 -3.496 -12.649 1.00 0.00 N ATOM 974 CA GLU A 69 3.312 -2.745 -12.121 1.00 0.00 C ATOM 975 C GLU A 69 3.280 -2.746 -10.591 1.00 0.00 C ATOM 976 O GLU A 69 4.239 -3.169 -9.947 1.00 0.00 O ATOM 977 CB GLU A 69 3.323 -1.316 -12.668 1.00 0.00 C ATOM 978 CG GLU A 69 3.723 -1.298 -14.145 1.00 0.00 C ATOM 979 CD GLU A 69 5.076 -0.610 -14.338 1.00 0.00 C ATOM 980 OE1 GLU A 69 6.064 -1.135 -13.781 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.091 0.425 -15.039 1.00 0.00 O ATOM 0 H GLU A 69 1.483 -2.932 -13.126 1.00 0.00 H new ATOM 0 HA GLU A 69 4.232 -3.231 -12.446 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.336 -0.870 -12.549 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.019 -0.707 -12.091 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.772 -2.319 -14.525 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.961 -0.779 -14.726 1.00 0.00 H new ATOM 988 N ALA A 70 2.167 -2.268 -10.054 1.00 0.00 N ATOM 989 CA ALA A 70 1.998 -2.208 -8.612 1.00 0.00 C ATOM 990 C ALA A 70 2.032 -3.627 -8.040 1.00 0.00 C ATOM 991 O ALA A 70 2.648 -3.867 -7.003 1.00 0.00 O ATOM 992 CB ALA A 70 0.696 -1.477 -8.281 1.00 0.00 C ATOM 0 H ALA A 70 1.374 -1.919 -10.591 1.00 0.00 H new ATOM 0 HA ALA A 70 2.812 -1.648 -8.153 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.569 -1.432 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.734 -0.465 -8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.144 -2.012 -8.723 1.00 0.00 H new ATOM 998 N GLN A 71 1.361 -4.529 -8.741 1.00 0.00 N ATOM 999 CA GLN A 71 1.307 -5.918 -8.316 1.00 0.00 C ATOM 1000 C GLN A 71 2.721 -6.486 -8.176 1.00 0.00 C ATOM 1001 O GLN A 71 3.025 -7.169 -7.200 1.00 0.00 O ATOM 1002 CB GLN A 71 0.473 -6.756 -9.286 1.00 0.00 C ATOM 1003 CG GLN A 71 -1.009 -6.718 -8.909 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.240 -7.336 -7.528 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.396 -8.026 -6.980 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.425 -7.050 -6.998 1.00 0.00 N ATOM 0 H GLN A 71 0.850 -4.325 -9.600 1.00 0.00 H new ATOM 0 HA GLN A 71 0.822 -5.961 -7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.603 -6.381 -10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.827 -7.787 -9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.363 -5.687 -8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.592 -7.258 -9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.085 -6.466 -7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.674 -7.415 -6.078 1.00 0.00 H new ATOM 1015 N SER A 72 3.547 -6.182 -9.166 1.00 0.00 N ATOM 1016 CA SER A 72 4.921 -6.654 -9.166 1.00 0.00 C ATOM 1017 C SER A 72 5.723 -5.929 -8.083 1.00 0.00 C ATOM 1018 O SER A 72 6.280 -6.564 -7.188 1.00 0.00 O ATOM 1019 CB SER A 72 5.574 -6.451 -10.535 1.00 0.00 C ATOM 1020 OG SER A 72 6.787 -7.187 -10.662 1.00 0.00 O ATOM 0 H SER A 72 3.291 -5.614 -9.974 1.00 0.00 H new ATOM 0 HA SER A 72 4.915 -7.723 -8.952 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.880 -6.759 -11.317 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.776 -5.391 -10.687 1.00 0.00 H new ATOM 0 HG SER A 72 7.172 -7.032 -11.550 1.00 0.00 H new ATOM 1026 N LYS A 73 5.756 -4.610 -8.200 1.00 0.00 N ATOM 1027 CA LYS A 73 6.481 -3.792 -7.242 1.00 0.00 C ATOM 1028 C LYS A 73 6.191 -4.295 -5.826 1.00 0.00 C ATOM 1029 O LYS A 73 7.108 -4.664 -5.095 1.00 0.00 O ATOM 1030 CB LYS A 73 6.155 -2.311 -7.447 1.00 0.00 C ATOM 1031 CG LYS A 73 7.220 -1.630 -8.309 1.00 0.00 C ATOM 1032 CD LYS A 73 6.614 -1.097 -9.610 1.00 0.00 C ATOM 1033 CE LYS A 73 7.335 0.171 -10.071 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.463 -0.171 -10.966 1.00 0.00 N ATOM 0 H LYS A 73 5.293 -4.087 -8.943 1.00 0.00 H new ATOM 0 HA LYS A 73 7.556 -3.883 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.179 -2.212 -7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.091 -1.812 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.674 -0.810 -7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.016 -2.339 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.680 -1.860 -10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.555 -0.884 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.636 0.825 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.704 0.722 -9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.942 0.701 -11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.138 -0.777 -10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.103 -0.677 -11.800 1.00 0.00 H new ATOM 1048 N ILE A 74 4.911 -4.293 -5.482 1.00 0.00 N ATOM 1049 CA ILE A 74 4.489 -4.744 -4.167 1.00 0.00 C ATOM 1050 C ILE A 74 5.073 -6.132 -3.898 1.00 0.00 C ATOM 1051 O ILE A 74 5.420 -6.454 -2.762 1.00 0.00 O ATOM 1052 CB ILE A 74 2.965 -4.683 -4.043 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.492 -3.247 -3.809 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.465 -5.636 -2.956 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.067 -3.048 -4.330 1.00 0.00 C ATOM 0 H ILE A 74 4.153 -3.986 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 74 4.875 -4.080 -3.394 1.00 0.00 H new ATOM 0 HB ILE A 74 2.531 -5.015 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.529 -3.017 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.166 -2.552 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.379 -5.573 -2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.755 -6.657 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.905 -5.358 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.755 -2.019 -4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.038 -3.255 -5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.391 -3.728 -3.810 1.00 0.00 H new ATOM 1067 N ARG A 75 5.162 -6.918 -4.961 1.00 0.00 N ATOM 1068 CA ARG A 75 5.697 -8.265 -4.853 1.00 0.00 C ATOM 1069 C ARG A 75 7.212 -8.218 -4.644 1.00 0.00 C ATOM 1070 O ARG A 75 7.751 -8.949 -3.814 1.00 0.00 O ATOM 1071 CB ARG A 75 5.387 -9.083 -6.108 1.00 0.00 C ATOM 1072 CG ARG A 75 5.600 -10.577 -5.856 1.00 0.00 C ATOM 1073 CD ARG A 75 5.178 -11.404 -7.072 1.00 0.00 C ATOM 1074 NE ARG A 75 4.483 -12.633 -6.631 1.00 0.00 N ATOM 1075 CZ ARG A 75 4.016 -13.573 -7.465 1.00 0.00 C ATOM 1076 NH1 ARG A 75 4.168 -13.429 -8.788 1.00 0.00 N ATOM 1077 NH2 ARG A 75 3.397 -14.656 -6.975 1.00 0.00 N ATOM 0 H ARG A 75 4.873 -6.648 -5.901 1.00 0.00 H new ATOM 0 HA ARG A 75 5.223 -8.743 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.357 -8.906 -6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.026 -8.754 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.650 -10.765 -5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.026 -10.888 -4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.522 -10.815 -7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.054 -11.665 -7.666 1.00 0.00 H new ATOM 0 HE ARG A 75 4.351 -12.774 -5.630 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.639 -12.604 -9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.813 -14.144 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.281 -14.765 -5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.042 -15.371 -7.610 1.00 0.00 H new ATOM 1091 N GLN A 76 7.857 -7.352 -5.412 1.00 0.00 N ATOM 1092 CA GLN A 76 9.300 -7.201 -5.321 1.00 0.00 C ATOM 1093 C GLN A 76 9.656 -6.081 -4.342 1.00 0.00 C ATOM 1094 O GLN A 76 10.739 -5.504 -4.420 1.00 0.00 O ATOM 1095 CB GLN A 76 9.911 -6.939 -6.699 1.00 0.00 C ATOM 1096 CG GLN A 76 9.326 -7.887 -7.748 1.00 0.00 C ATOM 1097 CD GLN A 76 9.451 -9.345 -7.300 1.00 0.00 C ATOM 1098 OE1 GLN A 76 10.358 -9.724 -6.579 1.00 0.00 O ATOM 1099 NE2 GLN A 76 8.491 -10.138 -7.767 1.00 0.00 N ATOM 0 H GLN A 76 7.407 -6.748 -6.100 1.00 0.00 H new ATOM 0 HA GLN A 76 9.720 -8.133 -4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.724 -5.906 -6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.992 -7.066 -6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.277 -7.644 -7.919 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.844 -7.749 -8.697 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.760 -9.755 -8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.485 -11.129 -7.525 1.00 0.00 H new ATOM 1108 N SER A 77 8.723 -5.807 -3.442 1.00 0.00 N ATOM 1109 CA SER A 77 8.924 -4.766 -2.448 1.00 0.00 C ATOM 1110 C SER A 77 9.583 -5.356 -1.199 1.00 0.00 C ATOM 1111 O SER A 77 9.174 -6.411 -0.716 1.00 0.00 O ATOM 1112 CB SER A 77 7.601 -4.091 -2.081 1.00 0.00 C ATOM 1113 OG SER A 77 7.501 -2.780 -2.631 1.00 0.00 O ATOM 0 H SER A 77 7.826 -6.288 -3.380 1.00 0.00 H new ATOM 0 HA SER A 77 9.581 -4.008 -2.875 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.771 -4.700 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.510 -4.037 -0.996 1.00 0.00 H new ATOM 0 HG SER A 77 7.376 -2.841 -3.601 1.00 0.00 H new ATOM 1119 N ALA A 78 10.592 -4.649 -0.712 1.00 0.00 N ATOM 1120 CA ALA A 78 11.312 -5.089 0.471 1.00 0.00 C ATOM 1121 C ALA A 78 10.494 -4.745 1.717 1.00 0.00 C ATOM 1122 O ALA A 78 9.446 -4.107 1.620 1.00 0.00 O ATOM 1123 CB ALA A 78 12.702 -4.449 0.491 1.00 0.00 C ATOM 0 H ALA A 78 10.928 -3.774 -1.115 1.00 0.00 H new ATOM 0 HA ALA A 78 11.451 -6.170 0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.242 -4.779 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.253 -4.748 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.603 -3.364 0.510 1.00 0.00 H new ATOM 1129 N SER A 79 11.003 -5.183 2.860 1.00 0.00 N ATOM 1130 CA SER A 79 10.332 -4.929 4.124 1.00 0.00 C ATOM 1131 C SER A 79 11.181 -3.995 4.988 1.00 0.00 C ATOM 1132 O SER A 79 12.406 -4.107 5.012 1.00 0.00 O ATOM 1133 CB SER A 79 10.053 -6.235 4.871 1.00 0.00 C ATOM 1134 OG SER A 79 11.250 -6.954 5.155 1.00 0.00 O ATOM 0 H SER A 79 11.872 -5.712 2.937 1.00 0.00 H new ATOM 0 HA SER A 79 9.376 -4.450 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.532 -6.015 5.803 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.388 -6.859 4.274 1.00 0.00 H new ATOM 0 HG SER A 79 11.030 -7.780 5.634 1.00 0.00 H new ATOM 1140 N PRO A 80 10.478 -3.070 5.695 1.00 0.00 N ATOM 1141 CA PRO A 80 9.029 -3.005 5.610 1.00 0.00 C ATOM 1142 C PRO A 80 8.585 -2.381 4.286 1.00 0.00 C ATOM 1143 O PRO A 80 9.374 -1.722 3.610 1.00 0.00 O ATOM 1144 CB PRO A 80 8.600 -2.195 6.822 1.00 0.00 C ATOM 1145 CG PRO A 80 9.839 -1.446 7.283 1.00 0.00 C ATOM 1146 CD PRO A 80 11.043 -2.065 6.591 1.00 0.00 C ATOM 0 HA PRO A 80 8.562 -3.990 5.620 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.798 -1.503 6.565 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.220 -2.844 7.611 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.759 -0.387 7.036 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.945 -1.513 8.366 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.611 -1.316 6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.726 -2.515 7.311 1.00 0.00 H new ATOM 1154 N LEU A 81 7.323 -2.610 3.954 1.00 0.00 N ATOM 1155 CA LEU A 81 6.764 -2.078 2.723 1.00 0.00 C ATOM 1156 C LEU A 81 6.035 -0.767 3.023 1.00 0.00 C ATOM 1157 O LEU A 81 5.066 -0.751 3.780 1.00 0.00 O ATOM 1158 CB LEU A 81 5.887 -3.126 2.036 1.00 0.00 C ATOM 1159 CG LEU A 81 4.856 -2.590 1.040 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.490 -2.357 -0.333 1.00 0.00 C ATOM 1161 CD2 LEU A 81 3.639 -3.514 0.960 1.00 0.00 C ATOM 0 H LEU A 81 6.671 -3.157 4.517 1.00 0.00 H new ATOM 0 HA LEU A 81 7.558 -1.846 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.537 -3.828 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.360 -3.691 2.805 1.00 0.00 H new ATOM 0 HG LEU A 81 4.503 -1.624 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.736 -1.976 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.298 -1.631 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.888 -3.297 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.922 -3.110 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.956 -4.505 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.171 -3.586 1.942 1.00 0.00 H new ATOM 1173 N ARG A 82 6.529 0.301 2.414 1.00 0.00 N ATOM 1174 CA ARG A 82 5.936 1.614 2.607 1.00 0.00 C ATOM 1175 C ARG A 82 4.920 1.905 1.501 1.00 0.00 C ATOM 1176 O ARG A 82 5.280 1.977 0.327 1.00 0.00 O ATOM 1177 CB ARG A 82 7.007 2.707 2.608 1.00 0.00 C ATOM 1178 CG ARG A 82 6.990 3.489 3.923 1.00 0.00 C ATOM 1179 CD ARG A 82 8.252 4.342 4.069 1.00 0.00 C ATOM 1180 NE ARG A 82 9.419 3.475 4.348 1.00 0.00 N ATOM 1181 CZ ARG A 82 10.658 3.933 4.574 1.00 0.00 C ATOM 1182 NH1 ARG A 82 10.899 5.251 4.555 1.00 0.00 N ATOM 1183 NH2 ARG A 82 11.656 3.073 4.819 1.00 0.00 N ATOM 0 H ARG A 82 7.333 0.284 1.787 1.00 0.00 H new ATOM 0 HA ARG A 82 5.434 1.613 3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.989 2.259 2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.838 3.388 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.108 4.129 3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.916 2.796 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.423 4.913 3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.123 5.063 4.876 1.00 0.00 H new ATOM 0 HE ARG A 82 9.271 2.466 4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.139 5.906 4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.842 5.600 4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.473 2.070 4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.599 3.422 4.991 1.00 0.00 H new ATOM 1197 N LEU A 83 3.672 2.065 1.915 1.00 0.00 N ATOM 1198 CA LEU A 83 2.602 2.347 0.973 1.00 0.00 C ATOM 1199 C LEU A 83 1.967 3.696 1.318 1.00 0.00 C ATOM 1200 O LEU A 83 1.420 3.869 2.406 1.00 0.00 O ATOM 1201 CB LEU A 83 1.602 1.189 0.936 1.00 0.00 C ATOM 1202 CG LEU A 83 1.971 0.014 0.028 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.228 -1.257 0.447 1.00 0.00 C ATOM 1204 CD2 LEU A 83 1.729 0.360 -1.442 1.00 0.00 C ATOM 0 H LEU A 83 3.378 2.005 2.890 1.00 0.00 H new ATOM 0 HA LEU A 83 2.998 2.429 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.475 0.812 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.636 1.579 0.617 1.00 0.00 H new ATOM 0 HG LEU A 83 3.037 -0.183 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.508 -2.077 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.493 -1.512 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.153 -1.089 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.999 -0.492 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.676 0.599 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.339 1.220 -1.719 1.00 0.00 H new ATOM 1216 N GLN A 84 2.062 4.617 0.371 1.00 0.00 N ATOM 1217 CA GLN A 84 1.504 5.946 0.561 1.00 0.00 C ATOM 1218 C GLN A 84 0.025 5.961 0.171 1.00 0.00 C ATOM 1219 O GLN A 84 -0.319 5.728 -0.987 1.00 0.00 O ATOM 1220 CB GLN A 84 2.291 6.989 -0.235 1.00 0.00 C ATOM 1221 CG GLN A 84 2.199 8.366 0.426 1.00 0.00 C ATOM 1222 CD GLN A 84 2.809 9.446 -0.470 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.427 9.171 -1.485 1.00 0.00 O ATOM 1224 NE2 GLN A 84 2.600 10.687 -0.040 1.00 0.00 N ATOM 0 H GLN A 84 2.517 4.470 -0.530 1.00 0.00 H new ATOM 0 HA GLN A 84 1.584 6.205 1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.335 6.685 -0.307 1.00 0.00 H new ATOM 0 HB3 GLN A 84 1.904 7.043 -1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.156 8.606 0.632 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.717 8.348 1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 84 2.074 10.847 0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.966 11.479 -0.569 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.812 6.236 1.161 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.247 6.285 0.937 1.00 0.00 C ATOM 1235 C LEU A 85 -2.708 7.744 0.925 1.00 0.00 C ATOM 1236 O LEU A 85 -2.257 8.548 1.739 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.979 5.417 1.963 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.335 4.066 2.279 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -3.073 3.361 3.419 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.249 3.193 1.026 1.00 0.00 C ATOM 0 H LEU A 85 -0.524 6.427 2.120 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.495 5.864 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.066 5.982 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.992 5.239 1.602 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.314 4.245 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.595 2.403 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.039 3.982 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.111 3.195 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.787 2.238 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.251 3.019 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.647 3.699 0.271 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.600 8.041 -0.009 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.127 9.389 -0.138 1.00 0.00 C ATOM 1254 C ASP A 86 -5.508 9.457 0.517 1.00 0.00 C ATOM 1255 O ASP A 86 -6.501 9.035 -0.074 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.281 9.781 -1.608 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.725 11.159 -1.972 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -4.285 12.151 -1.458 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -2.751 11.189 -2.755 1.00 0.00 O ATOM 0 H ASP A 86 -3.971 7.371 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.429 10.072 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.783 9.031 -2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.339 9.753 -1.867 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.527 9.991 1.730 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.770 10.119 2.471 1.00 0.00 C ATOM 1266 C ARG A 87 -7.203 11.586 2.531 1.00 0.00 C ATOM 1267 O ARG A 87 -6.619 12.379 3.268 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.620 9.580 3.895 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.962 9.083 4.437 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.817 7.699 5.074 1.00 0.00 C ATOM 1271 NE ARG A 87 -8.322 6.660 4.149 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.579 5.395 4.508 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -8.379 5.005 5.774 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -9.036 4.521 3.601 1.00 0.00 N ATOM 0 H ARG A 87 -4.702 10.340 2.218 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.528 9.533 1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.896 8.766 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.229 10.363 4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.344 9.789 5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.692 9.041 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.771 7.507 5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.370 7.662 6.012 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.485 6.923 3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.031 5.671 6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.574 4.042 6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.188 4.819 2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.232 3.558 3.874 1.00 0.00 H new ATOM 1288 N SER A 88 -8.224 11.901 1.747 1.00 0.00 N ATOM 1289 CA SER A 88 -8.741 13.258 1.702 1.00 0.00 C ATOM 1290 C SER A 88 -10.271 13.234 1.683 1.00 0.00 C ATOM 1291 O SER A 88 -10.887 13.492 0.650 1.00 0.00 O ATOM 1292 CB SER A 88 -8.207 14.011 0.482 1.00 0.00 C ATOM 1293 OG SER A 88 -8.884 15.248 0.280 1.00 0.00 O ATOM 0 H SER A 88 -8.707 11.240 1.138 1.00 0.00 H new ATOM 0 HA SER A 88 -8.403 13.783 2.595 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.141 14.198 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.318 13.388 -0.406 1.00 0.00 H new ATOM 0 HG SER A 88 -9.844 15.082 0.172 1.00 0.00 H new