USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 658 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 Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.0692 X(o=0.069,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.973 K(o=-0.97,f=-3.2!) USER MOD Single : A 33 THR OG1 : rot -53:sc= 0.88 USER MOD Single : A 35 SER OG : rot -48:sc= 0.524 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 167:sc=-0.00953 (180deg=-0.143) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -1.69 F(o=-5.3,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -77:sc= -2.93 USER MOD Single : A 51 GLN : amide:sc= -0.942 K(o=-0.94,f=-4.1!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot -63:sc= 0.715 USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0634) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.877 X(o=-0.88,f=-0.61!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -2.82 F(o=-3.6,f=-2.8) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -11.8! C(o=-13!,f=-12!) USER MOD Single : A 83 LYS NZ :NH3+ 156:sc= -0.0949 (180deg=-0.436) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.653 K(o=-0.65,f=-2.2) USER MOD Single : A 89 ASN : amide:sc= -2.37 X(o=-2.4,f=-2.8!) USER MOD Single : A 90 SER OG : rot 31:sc= 0.205 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 17.727 24.878 20.758 1.00 0.00 N ATOM 2 CA GLY A 7 18.248 23.534 20.593 1.00 0.00 C ATOM 3 C GLY A 7 17.441 22.502 21.355 1.00 0.00 C ATOM 4 O GLY A 7 17.970 21.809 22.225 1.00 0.00 O ATOM 0 HA2 GLY A 7 18.253 23.277 19.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.283 23.505 20.933 1.00 0.00 H new ATOM 8 N SER A 8 16.157 22.399 21.029 1.00 0.00 N ATOM 9 CA SER A 8 15.274 21.447 21.693 1.00 0.00 C ATOM 10 C SER A 8 15.697 20.013 21.393 1.00 0.00 C ATOM 11 O SER A 8 15.881 19.638 20.235 1.00 0.00 O ATOM 12 CB SER A 8 13.826 21.668 21.250 1.00 0.00 C ATOM 13 OG SER A 8 13.198 22.665 22.036 1.00 0.00 O ATOM 0 H SER A 8 15.705 22.963 20.309 1.00 0.00 H new ATOM 0 HA SER A 8 15.346 21.611 22.768 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.804 21.961 20.200 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.271 20.733 21.331 1.00 0.00 H new ATOM 0 HG SER A 8 12.275 22.788 21.732 1.00 0.00 H new ATOM 19 N SER A 9 15.849 19.215 22.445 1.00 0.00 N ATOM 20 CA SER A 9 16.254 17.822 22.295 1.00 0.00 C ATOM 21 C SER A 9 15.071 16.954 21.878 1.00 0.00 C ATOM 22 O SER A 9 14.202 16.636 22.689 1.00 0.00 O ATOM 23 CB SER A 9 16.848 17.298 23.604 1.00 0.00 C ATOM 24 OG SER A 9 18.169 17.776 23.791 1.00 0.00 O ATOM 0 H SER A 9 15.698 19.509 23.410 1.00 0.00 H new ATOM 0 HA SER A 9 17.012 17.772 21.514 1.00 0.00 H new ATOM 0 HB2 SER A 9 16.223 17.609 24.441 1.00 0.00 H new ATOM 0 HB3 SER A 9 16.850 16.208 23.596 1.00 0.00 H new ATOM 0 HG SER A 9 18.526 17.429 24.635 1.00 0.00 H new ATOM 30 N GLY A 10 15.044 16.573 20.604 1.00 0.00 N ATOM 31 CA GLY A 10 13.964 15.745 20.100 1.00 0.00 C ATOM 32 C GLY A 10 14.382 14.913 18.903 1.00 0.00 C ATOM 33 O GLY A 10 15.011 15.420 17.975 1.00 0.00 O ATOM 0 H GLY A 10 15.751 16.823 19.912 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.616 15.084 20.894 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.123 16.380 19.822 1.00 0.00 H new ATOM 37 N SER A 11 14.032 13.631 18.925 1.00 0.00 N ATOM 38 CA SER A 11 14.380 12.725 17.836 1.00 0.00 C ATOM 39 C SER A 11 14.117 13.378 16.482 1.00 0.00 C ATOM 40 O SER A 11 13.095 14.035 16.285 1.00 0.00 O ATOM 41 CB SER A 11 13.582 11.425 17.952 1.00 0.00 C ATOM 42 OG SER A 11 13.871 10.755 19.167 1.00 0.00 O ATOM 0 H SER A 11 13.508 13.196 19.684 1.00 0.00 H new ATOM 0 HA SER A 11 15.443 12.498 17.910 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.515 11.643 17.899 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.817 10.774 17.110 1.00 0.00 H new ATOM 0 HG SER A 11 13.347 9.928 19.217 1.00 0.00 H new ATOM 48 N SER A 12 15.048 13.191 15.552 1.00 0.00 N ATOM 49 CA SER A 12 14.921 13.764 14.217 1.00 0.00 C ATOM 50 C SER A 12 14.240 12.783 13.268 1.00 0.00 C ATOM 51 O SER A 12 14.637 12.643 12.112 1.00 0.00 O ATOM 52 CB SER A 12 16.297 14.149 13.671 1.00 0.00 C ATOM 53 OG SER A 12 16.829 15.262 14.368 1.00 0.00 O ATOM 0 H SER A 12 15.898 12.647 15.698 1.00 0.00 H new ATOM 0 HA SER A 12 14.304 14.660 14.290 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.977 13.302 13.760 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.218 14.385 12.610 1.00 0.00 H new ATOM 0 HG SER A 12 17.709 15.487 14.001 1.00 0.00 H new ATOM 59 N GLY A 13 13.211 12.104 13.766 1.00 0.00 N ATOM 60 CA GLY A 13 12.491 11.144 12.950 1.00 0.00 C ATOM 61 C GLY A 13 11.927 11.765 11.687 1.00 0.00 C ATOM 62 O GLY A 13 12.091 12.957 11.429 1.00 0.00 O ATOM 0 H GLY A 13 12.863 12.202 14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.159 10.326 12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.678 10.713 13.534 1.00 0.00 H new ATOM 66 N PRO A 14 11.245 10.944 10.873 1.00 0.00 N ATOM 67 CA PRO A 14 10.642 11.397 9.616 1.00 0.00 C ATOM 68 C PRO A 14 9.450 12.321 9.845 1.00 0.00 C ATOM 69 O PRO A 14 9.032 12.541 10.982 1.00 0.00 O ATOM 70 CB PRO A 14 10.190 10.096 8.950 1.00 0.00 C ATOM 71 CG PRO A 14 9.989 9.143 10.078 1.00 0.00 C ATOM 72 CD PRO A 14 11.010 9.511 11.118 1.00 0.00 C ATOM 0 HA PRO A 14 11.341 11.979 9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.269 10.240 8.384 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.940 9.728 8.250 1.00 0.00 H new ATOM 0 HG2 PRO A 14 8.978 9.220 10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.123 8.113 9.747 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.639 9.331 12.127 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.925 8.929 11.007 1.00 0.00 H new ATOM 80 N VAL A 15 8.907 12.858 8.757 1.00 0.00 N ATOM 81 CA VAL A 15 7.761 13.757 8.839 1.00 0.00 C ATOM 82 C VAL A 15 6.500 13.004 9.249 1.00 0.00 C ATOM 83 O VAL A 15 6.333 11.829 8.921 1.00 0.00 O ATOM 84 CB VAL A 15 7.508 14.468 7.497 1.00 0.00 C ATOM 85 CG1 VAL A 15 8.719 15.296 7.094 1.00 0.00 C ATOM 86 CG2 VAL A 15 7.161 13.455 6.416 1.00 0.00 C ATOM 0 H VAL A 15 9.242 12.686 7.809 1.00 0.00 H new ATOM 0 HA VAL A 15 7.998 14.503 9.597 1.00 0.00 H new ATOM 0 HB VAL A 15 6.661 15.143 7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.521 15.791 6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.918 16.046 7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.587 14.645 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.985 13.974 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.987 12.754 6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.262 12.910 6.703 1.00 0.00 H new ATOM 96 N ARG A 16 5.616 13.688 9.967 1.00 0.00 N ATOM 97 CA ARG A 16 4.370 13.084 10.422 1.00 0.00 C ATOM 98 C ARG A 16 3.282 13.215 9.359 1.00 0.00 C ATOM 99 O ARG A 16 2.142 13.565 9.664 1.00 0.00 O ATOM 100 CB ARG A 16 3.907 13.739 11.725 1.00 0.00 C ATOM 101 CG ARG A 16 2.959 12.872 12.538 1.00 0.00 C ATOM 102 CD ARG A 16 2.256 13.679 13.619 1.00 0.00 C ATOM 103 NE ARG A 16 1.477 12.829 14.516 1.00 0.00 N ATOM 104 CZ ARG A 16 2.008 12.144 15.523 1.00 0.00 C ATOM 105 NH1 ARG A 16 3.311 12.208 15.760 1.00 0.00 N ATOM 106 NH2 ARG A 16 1.234 11.393 16.296 1.00 0.00 N ATOM 0 H ARG A 16 5.740 14.661 10.246 1.00 0.00 H new ATOM 0 HA ARG A 16 4.553 12.024 10.601 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.780 13.977 12.333 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.414 14.683 11.492 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.217 12.423 11.877 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.515 12.054 12.996 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.996 14.234 14.196 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.599 14.414 13.154 1.00 0.00 H new ATOM 0 HE ARG A 16 0.471 12.758 14.361 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.909 12.785 15.168 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.715 11.681 16.534 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.231 11.341 16.117 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.642 10.867 17.069 1.00 0.00 H new ATOM 120 N ASP A 17 3.643 12.933 8.113 1.00 0.00 N ATOM 121 CA ASP A 17 2.699 13.019 7.005 1.00 0.00 C ATOM 122 C ASP A 17 2.254 11.628 6.561 1.00 0.00 C ATOM 123 O ASP A 17 2.108 11.362 5.367 1.00 0.00 O ATOM 124 CB ASP A 17 3.327 13.767 5.828 1.00 0.00 C ATOM 125 CG ASP A 17 3.565 15.232 6.135 1.00 0.00 C ATOM 126 OD1 ASP A 17 4.458 15.529 6.955 1.00 0.00 O ATOM 127 OD2 ASP A 17 2.858 16.083 5.554 1.00 0.00 O ATOM 0 H ASP A 17 4.583 12.643 7.844 1.00 0.00 H new ATOM 0 HA ASP A 17 1.823 13.569 7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.274 13.295 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.676 13.682 4.958 1.00 0.00 H new ATOM 132 N THR A 18 2.040 10.743 7.530 1.00 0.00 N ATOM 133 CA THR A 18 1.615 9.380 7.240 1.00 0.00 C ATOM 134 C THR A 18 0.165 9.156 7.656 1.00 0.00 C ATOM 135 O THR A 18 -0.150 8.189 8.349 1.00 0.00 O ATOM 136 CB THR A 18 2.507 8.349 7.955 1.00 0.00 C ATOM 137 OG1 THR A 18 3.844 8.850 8.064 1.00 0.00 O ATOM 138 CG2 THR A 18 2.517 7.027 7.202 1.00 0.00 C ATOM 0 H THR A 18 2.154 10.947 8.523 1.00 0.00 H new ATOM 0 HA THR A 18 1.707 9.243 6.163 1.00 0.00 H new ATOM 0 HB THR A 18 2.100 8.179 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.405 8.189 8.521 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.154 6.314 7.726 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.502 6.633 7.145 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.902 7.185 6.195 1.00 0.00 H new ATOM 146 N LYS A 19 -0.714 10.056 7.228 1.00 0.00 N ATOM 147 CA LYS A 19 -2.132 9.956 7.555 1.00 0.00 C ATOM 148 C LYS A 19 -2.900 9.259 6.436 1.00 0.00 C ATOM 149 O LYS A 19 -3.826 8.490 6.693 1.00 0.00 O ATOM 150 CB LYS A 19 -2.719 11.348 7.800 1.00 0.00 C ATOM 151 CG LYS A 19 -4.233 11.358 7.912 1.00 0.00 C ATOM 152 CD LYS A 19 -4.700 10.746 9.222 1.00 0.00 C ATOM 153 CE LYS A 19 -6.218 10.731 9.320 1.00 0.00 C ATOM 154 NZ LYS A 19 -6.700 9.710 10.290 1.00 0.00 N ATOM 0 H LYS A 19 -0.470 10.863 6.654 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.229 9.362 8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.293 11.757 8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.419 12.008 6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.597 12.383 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.664 10.805 7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.319 9.728 9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.286 11.311 10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.572 11.716 9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.644 10.528 8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.739 9.731 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.384 8.767 9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.315 9.918 11.233 1.00 0.00 H new ATOM 168 N TRP A 20 -2.508 9.531 5.197 1.00 0.00 N ATOM 169 CA TRP A 20 -3.159 8.928 4.040 1.00 0.00 C ATOM 170 C TRP A 20 -2.382 7.711 3.550 1.00 0.00 C ATOM 171 O TRP A 20 -2.451 7.350 2.375 1.00 0.00 O ATOM 172 CB TRP A 20 -3.290 9.953 2.911 1.00 0.00 C ATOM 173 CG TRP A 20 -1.971 10.464 2.417 1.00 0.00 C ATOM 174 CD1 TRP A 20 -1.129 11.322 3.065 1.00 0.00 C ATOM 175 CD2 TRP A 20 -1.343 10.149 1.169 1.00 0.00 C ATOM 176 NE1 TRP A 20 -0.016 11.560 2.295 1.00 0.00 N ATOM 177 CE2 TRP A 20 -0.123 10.852 1.127 1.00 0.00 C ATOM 178 CE3 TRP A 20 -1.692 9.341 0.084 1.00 0.00 C ATOM 179 CZ2 TRP A 20 0.746 10.770 0.043 1.00 0.00 C ATOM 180 CZ3 TRP A 20 -0.828 9.261 -0.992 1.00 0.00 C ATOM 181 CH2 TRP A 20 0.379 9.971 -1.006 1.00 0.00 C ATOM 0 H TRP A 20 -1.743 10.165 4.968 1.00 0.00 H new ATOM 0 HA TRP A 20 -4.154 8.602 4.343 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.831 9.500 2.080 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.889 10.794 3.261 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.311 11.751 4.039 1.00 0.00 H new ATOM 0 HE1 TRP A 20 0.764 12.166 2.552 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -2.620 8.789 0.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 1.677 11.317 0.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -1.088 8.640 -1.837 1.00 0.00 H new ATOM 0 HH2 TRP A 20 1.033 9.886 -1.861 1.00 0.00 H new ATOM 192 N LEU A 21 -1.643 7.082 4.458 1.00 0.00 N ATOM 193 CA LEU A 21 -0.853 5.904 4.118 1.00 0.00 C ATOM 194 C LEU A 21 -1.075 4.788 5.134 1.00 0.00 C ATOM 195 O LEU A 21 -0.125 4.156 5.596 1.00 0.00 O ATOM 196 CB LEU A 21 0.632 6.263 4.055 1.00 0.00 C ATOM 197 CG LEU A 21 1.035 7.268 2.975 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.372 7.909 3.313 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.094 6.592 1.613 1.00 0.00 C ATOM 0 H LEU A 21 -1.575 7.368 5.435 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.177 5.549 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.930 6.663 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.201 5.346 3.900 1.00 0.00 H new ATOM 0 HG LEU A 21 0.280 8.053 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.642 8.621 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.295 8.429 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.139 7.137 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.382 7.322 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.828 5.786 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.114 6.183 1.367 1.00 0.00 H new ATOM 211 N THR A 22 -2.337 4.549 5.476 1.00 0.00 N ATOM 212 CA THR A 22 -2.685 3.508 6.436 1.00 0.00 C ATOM 213 C THR A 22 -3.856 2.669 5.937 1.00 0.00 C ATOM 214 O THR A 22 -4.657 3.126 5.120 1.00 0.00 O ATOM 215 CB THR A 22 -3.045 4.108 7.808 1.00 0.00 C ATOM 216 OG1 THR A 22 -3.630 5.404 7.639 1.00 0.00 O ATOM 217 CG2 THR A 22 -1.812 4.214 8.693 1.00 0.00 C ATOM 0 H THR A 22 -3.135 5.062 5.103 1.00 0.00 H new ATOM 0 HA THR A 22 -1.807 2.872 6.545 1.00 0.00 H new ATOM 0 HB THR A 22 -3.764 3.446 8.291 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.857 5.777 8.516 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.091 4.640 9.656 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.387 3.222 8.845 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.073 4.856 8.213 1.00 0.00 H new ATOM 225 N LEU A 23 -3.951 1.441 6.434 1.00 0.00 N ATOM 226 CA LEU A 23 -5.026 0.537 6.039 1.00 0.00 C ATOM 227 C LEU A 23 -5.438 -0.359 7.202 1.00 0.00 C ATOM 228 O LEU A 23 -4.598 -0.803 7.983 1.00 0.00 O ATOM 229 CB LEU A 23 -4.588 -0.319 4.850 1.00 0.00 C ATOM 230 CG LEU A 23 -4.520 0.393 3.498 1.00 0.00 C ATOM 231 CD1 LEU A 23 -3.683 -0.409 2.514 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.919 0.624 2.947 1.00 0.00 C ATOM 0 H LEU A 23 -3.297 1.048 7.111 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.886 1.140 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.604 -0.734 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.276 -1.160 4.761 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.043 1.362 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.646 0.113 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.672 -0.523 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.130 -1.393 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.852 1.132 1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.422 -0.334 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.487 1.241 3.644 1.00 0.00 H new ATOM 244 N GLU A 24 -6.737 -0.623 7.308 1.00 0.00 N ATOM 245 CA GLU A 24 -7.260 -1.468 8.375 1.00 0.00 C ATOM 246 C GLU A 24 -6.760 -2.903 8.227 1.00 0.00 C ATOM 247 O GLU A 24 -7.071 -3.583 7.249 1.00 0.00 O ATOM 248 CB GLU A 24 -8.790 -1.447 8.369 1.00 0.00 C ATOM 249 CG GLU A 24 -9.384 -0.221 9.043 1.00 0.00 C ATOM 250 CD GLU A 24 -10.799 0.070 8.582 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.113 -0.221 7.409 1.00 0.00 O ATOM 252 OE2 GLU A 24 -11.592 0.589 9.395 1.00 0.00 O ATOM 0 H GLU A 24 -7.446 -0.264 6.668 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.902 -1.072 9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.142 -1.491 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.159 -2.342 8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.381 -0.367 10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.753 0.644 8.837 1.00 0.00 H new ATOM 259 N VAL A 25 -5.982 -3.356 9.205 1.00 0.00 N ATOM 260 CA VAL A 25 -5.439 -4.709 9.185 1.00 0.00 C ATOM 261 C VAL A 25 -6.553 -5.749 9.210 1.00 0.00 C ATOM 262 O VAL A 25 -7.442 -5.702 10.061 1.00 0.00 O ATOM 263 CB VAL A 25 -4.497 -4.953 10.379 1.00 0.00 C ATOM 264 CG1 VAL A 25 -3.887 -6.344 10.303 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.411 -3.888 10.427 1.00 0.00 C ATOM 0 H VAL A 25 -5.714 -2.806 10.021 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.873 -4.809 8.259 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.080 -4.888 11.298 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.225 -6.498 11.155 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.681 -7.091 10.321 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.318 -6.442 9.379 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.755 -4.076 11.277 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.830 -3.919 9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.870 -2.905 10.533 1.00 0.00 H new ATOM 275 N CYS A 26 -6.499 -6.688 8.271 1.00 0.00 N ATOM 276 CA CYS A 26 -7.504 -7.741 8.184 1.00 0.00 C ATOM 277 C CYS A 26 -7.743 -8.378 9.550 1.00 0.00 C ATOM 278 O CYS A 26 -6.878 -9.074 10.082 1.00 0.00 O ATOM 279 CB CYS A 26 -7.067 -8.809 7.180 1.00 0.00 C ATOM 280 SG CYS A 26 -8.264 -10.167 6.971 1.00 0.00 S ATOM 0 H CYS A 26 -5.770 -6.741 7.560 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.437 -7.292 7.844 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.898 -8.336 6.213 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.113 -9.226 7.502 1.00 0.00 H new ATOM 285 N ARG A 27 -8.923 -8.136 10.111 1.00 0.00 N ATOM 286 CA ARG A 27 -9.277 -8.685 11.414 1.00 0.00 C ATOM 287 C ARG A 27 -8.853 -10.146 11.522 1.00 0.00 C ATOM 288 O ARG A 27 -8.079 -10.514 12.405 1.00 0.00 O ATOM 289 CB ARG A 27 -10.783 -8.561 11.652 1.00 0.00 C ATOM 290 CG ARG A 27 -11.215 -8.978 13.048 1.00 0.00 C ATOM 291 CD ARG A 27 -11.226 -7.796 14.005 1.00 0.00 C ATOM 292 NE ARG A 27 -12.191 -6.776 13.604 1.00 0.00 N ATOM 293 CZ ARG A 27 -12.729 -5.902 14.447 1.00 0.00 C ATOM 294 NH1 ARG A 27 -12.397 -5.923 15.731 1.00 0.00 N ATOM 295 NH2 ARG A 27 -13.601 -5.004 14.007 1.00 0.00 N ATOM 0 H ARG A 27 -9.650 -7.563 9.683 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.748 -8.114 12.176 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.086 -7.528 11.481 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.310 -9.173 10.920 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.210 -9.422 13.005 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.540 -9.746 13.425 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.464 -8.145 15.010 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.230 -7.355 14.048 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.467 -6.732 12.623 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.727 -6.612 16.073 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.812 -5.251 16.376 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.859 -4.984 13.020 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.013 -4.333 14.655 1.00 0.00 H new ATOM 309 N GLN A 28 -9.365 -10.974 10.617 1.00 0.00 N ATOM 310 CA GLN A 28 -9.040 -12.395 10.611 1.00 0.00 C ATOM 311 C GLN A 28 -7.531 -12.609 10.661 1.00 0.00 C ATOM 312 O GLN A 28 -7.023 -13.325 11.524 1.00 0.00 O ATOM 313 CB GLN A 28 -9.622 -13.068 9.367 1.00 0.00 C ATOM 314 CG GLN A 28 -11.128 -13.266 9.430 1.00 0.00 C ATOM 315 CD GLN A 28 -11.737 -13.545 8.070 1.00 0.00 C ATOM 316 OE1 GLN A 28 -12.101 -12.624 7.339 1.00 0.00 O ATOM 317 NE2 GLN A 28 -11.851 -14.822 7.723 1.00 0.00 N ATOM 0 H GLN A 28 -10.007 -10.685 9.879 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.482 -12.846 11.499 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.380 -12.466 8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.142 -14.037 9.230 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.354 -14.094 10.102 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.590 -12.375 9.855 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.536 -15.554 8.360 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.253 -15.071 6.819 1.00 0.00 H new ATOM 326 N PHE A 29 -6.819 -11.983 9.729 1.00 0.00 N ATOM 327 CA PHE A 29 -5.367 -12.106 9.666 1.00 0.00 C ATOM 328 C PHE A 29 -4.753 -12.026 11.060 1.00 0.00 C ATOM 329 O PHE A 29 -3.976 -12.894 11.457 1.00 0.00 O ATOM 330 CB PHE A 29 -4.780 -11.009 8.774 1.00 0.00 C ATOM 331 CG PHE A 29 -3.283 -10.914 8.848 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.490 -12.005 8.529 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.669 -9.735 9.236 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.112 -11.920 8.597 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.291 -9.644 9.305 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.512 -10.738 8.984 1.00 0.00 C ATOM 0 H PHE A 29 -7.224 -11.386 9.008 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.128 -13.080 9.239 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.074 -11.196 7.741 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.212 -10.050 9.060 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.954 -12.931 8.224 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.274 -8.876 9.488 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.505 -12.778 8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.825 -8.719 9.609 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.565 -10.669 9.036 1.00 0.00 H new ATOM 346 N GLN A 30 -5.108 -10.979 11.797 1.00 0.00 N ATOM 347 CA GLN A 30 -4.590 -10.785 13.147 1.00 0.00 C ATOM 348 C GLN A 30 -4.711 -12.066 13.965 1.00 0.00 C ATOM 349 O GLN A 30 -3.749 -12.506 14.594 1.00 0.00 O ATOM 350 CB GLN A 30 -5.339 -9.648 13.844 1.00 0.00 C ATOM 351 CG GLN A 30 -5.026 -8.274 13.274 1.00 0.00 C ATOM 352 CD GLN A 30 -3.597 -7.842 13.542 1.00 0.00 C ATOM 353 OE1 GLN A 30 -2.649 -8.456 13.051 1.00 0.00 O ATOM 354 NE2 GLN A 30 -3.436 -6.781 14.324 1.00 0.00 N ATOM 0 H GLN A 30 -5.751 -10.252 11.483 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.535 -10.523 13.071 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.411 -9.829 13.766 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.090 -9.657 14.905 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.203 -8.282 12.199 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.710 -7.542 13.704 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.251 -6.303 14.709 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.498 -6.444 14.540 1.00 0.00 H new ATOM 363 N ARG A 31 -5.900 -12.660 13.953 1.00 0.00 N ATOM 364 CA ARG A 31 -6.147 -13.890 14.696 1.00 0.00 C ATOM 365 C ARG A 31 -5.498 -15.084 14.002 1.00 0.00 C ATOM 366 O ARG A 31 -5.173 -16.084 14.640 1.00 0.00 O ATOM 367 CB ARG A 31 -7.651 -14.129 14.843 1.00 0.00 C ATOM 368 CG ARG A 31 -8.410 -12.923 15.372 1.00 0.00 C ATOM 369 CD ARG A 31 -9.868 -13.258 15.644 1.00 0.00 C ATOM 370 NE ARG A 31 -10.530 -12.223 16.434 1.00 0.00 N ATOM 371 CZ ARG A 31 -11.848 -12.072 16.491 1.00 0.00 C ATOM 372 NH1 ARG A 31 -12.642 -12.885 15.808 1.00 0.00 N ATOM 373 NH2 ARG A 31 -12.375 -11.105 17.232 1.00 0.00 N ATOM 0 H ARG A 31 -6.707 -12.309 13.437 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.704 -13.782 15.686 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.062 -14.410 13.873 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.812 -14.972 15.514 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.940 -12.569 16.289 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.351 -12.109 14.649 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.394 -13.383 14.697 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.929 -14.210 16.171 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.948 -11.581 16.972 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.241 -13.629 15.237 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.654 -12.767 15.854 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.767 -10.477 17.758 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.388 -10.990 17.275 1.00 0.00 H new ATOM 387 N GLY A 32 -5.311 -14.970 12.690 1.00 0.00 N ATOM 388 CA GLY A 32 -4.702 -16.047 11.932 1.00 0.00 C ATOM 389 C GLY A 32 -5.730 -16.960 11.293 1.00 0.00 C ATOM 390 O GLY A 32 -5.431 -18.107 10.959 1.00 0.00 O ATOM 0 H GLY A 32 -5.570 -14.151 12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.063 -15.625 11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.060 -16.632 12.590 1.00 0.00 H new ATOM 394 N THR A 33 -6.946 -16.451 11.123 1.00 0.00 N ATOM 395 CA THR A 33 -8.023 -17.229 10.523 1.00 0.00 C ATOM 396 C THR A 33 -8.414 -16.667 9.161 1.00 0.00 C ATOM 397 O THR A 33 -9.594 -16.623 8.812 1.00 0.00 O ATOM 398 CB THR A 33 -9.267 -17.260 11.430 1.00 0.00 C ATOM 399 OG1 THR A 33 -10.275 -18.096 10.851 1.00 0.00 O ATOM 400 CG2 THR A 33 -9.821 -15.858 11.636 1.00 0.00 C ATOM 0 H THR A 33 -7.210 -15.503 11.392 1.00 0.00 H new ATOM 0 HA THR A 33 -7.648 -18.245 10.400 1.00 0.00 H new ATOM 0 HB THR A 33 -8.973 -17.664 12.399 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.448 -17.810 9.930 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.699 -15.905 12.280 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.061 -15.232 12.104 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.100 -15.432 10.672 1.00 0.00 H new ATOM 408 N CYS A 34 -7.417 -16.239 8.394 1.00 0.00 N ATOM 409 CA CYS A 34 -7.657 -15.679 7.069 1.00 0.00 C ATOM 410 C CYS A 34 -6.970 -16.515 5.993 1.00 0.00 C ATOM 411 O CYS A 34 -5.750 -16.460 5.834 1.00 0.00 O ATOM 412 CB CYS A 34 -7.157 -14.235 7.005 1.00 0.00 C ATOM 413 SG CYS A 34 -6.998 -13.577 5.314 1.00 0.00 S ATOM 0 H CYS A 34 -6.435 -16.269 8.667 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.731 -15.693 6.885 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.841 -13.600 7.568 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.187 -14.175 7.499 1.00 0.00 H new ATOM 418 N SER A 35 -7.761 -17.289 5.257 1.00 0.00 N ATOM 419 CA SER A 35 -7.230 -18.139 4.199 1.00 0.00 C ATOM 420 C SER A 35 -7.399 -17.478 2.834 1.00 0.00 C ATOM 421 O SER A 35 -7.563 -18.155 1.820 1.00 0.00 O ATOM 422 CB SER A 35 -7.929 -19.499 4.209 1.00 0.00 C ATOM 423 OG SER A 35 -7.280 -20.413 3.342 1.00 0.00 O ATOM 0 H SER A 35 -8.773 -17.345 5.374 1.00 0.00 H new ATOM 0 HA SER A 35 -6.166 -18.284 4.384 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.938 -19.899 5.223 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.969 -19.379 3.904 1.00 0.00 H new ATOM 0 HG SER A 35 -7.126 -19.987 2.473 1.00 0.00 H new ATOM 429 N ARG A 36 -7.358 -16.149 2.818 1.00 0.00 N ATOM 430 CA ARG A 36 -7.508 -15.395 1.580 1.00 0.00 C ATOM 431 C ARG A 36 -6.228 -14.633 1.249 1.00 0.00 C ATOM 432 O ARG A 36 -5.576 -14.080 2.135 1.00 0.00 O ATOM 433 CB ARG A 36 -8.681 -14.419 1.691 1.00 0.00 C ATOM 434 CG ARG A 36 -10.029 -15.103 1.851 1.00 0.00 C ATOM 435 CD ARG A 36 -11.176 -14.127 1.646 1.00 0.00 C ATOM 436 NE ARG A 36 -12.447 -14.668 2.123 1.00 0.00 N ATOM 437 CZ ARG A 36 -13.237 -15.443 1.389 1.00 0.00 C ATOM 438 NH1 ARG A 36 -12.890 -15.767 0.151 1.00 0.00 N ATOM 439 NH2 ARG A 36 -14.378 -15.896 1.894 1.00 0.00 N ATOM 0 H ARG A 36 -7.222 -15.573 3.649 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.708 -16.102 0.775 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.514 -13.759 2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.705 -13.791 0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.112 -15.919 1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.099 -15.544 2.845 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.958 -13.197 2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.260 -13.884 0.587 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.743 -14.438 3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.014 -15.421 -0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.499 -16.362 -0.410 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.648 -15.649 2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.985 -16.491 1.330 1.00 0.00 H new ATOM 453 N SER A 37 -5.874 -14.608 -0.032 1.00 0.00 N ATOM 454 CA SER A 37 -4.670 -13.918 -0.479 1.00 0.00 C ATOM 455 C SER A 37 -4.879 -12.406 -0.481 1.00 0.00 C ATOM 456 O SER A 37 -5.942 -11.915 -0.100 1.00 0.00 O ATOM 457 CB SER A 37 -4.276 -14.391 -1.880 1.00 0.00 C ATOM 458 OG SER A 37 -5.145 -13.855 -2.862 1.00 0.00 O ATOM 0 H SER A 37 -6.404 -15.058 -0.778 1.00 0.00 H new ATOM 0 HA SER A 37 -3.866 -14.155 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.251 -14.090 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.304 -15.480 -1.921 1.00 0.00 H new ATOM 0 HG SER A 37 -4.871 -14.171 -3.748 1.00 0.00 H new ATOM 464 N ASP A 38 -3.858 -11.675 -0.912 1.00 0.00 N ATOM 465 CA ASP A 38 -3.928 -10.219 -0.965 1.00 0.00 C ATOM 466 C ASP A 38 -4.731 -9.758 -2.177 1.00 0.00 C ATOM 467 O ASP A 38 -5.400 -8.726 -2.133 1.00 0.00 O ATOM 468 CB ASP A 38 -2.522 -9.620 -1.011 1.00 0.00 C ATOM 469 CG ASP A 38 -1.648 -10.105 0.129 1.00 0.00 C ATOM 470 OD1 ASP A 38 -1.690 -9.485 1.213 1.00 0.00 O ATOM 471 OD2 ASP A 38 -0.922 -11.104 -0.061 1.00 0.00 O ATOM 0 H ASP A 38 -2.971 -12.066 -1.230 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.432 -9.871 -0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.052 -9.877 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.592 -8.533 -0.974 1.00 0.00 H new ATOM 476 N GLU A 39 -4.658 -10.529 -3.257 1.00 0.00 N ATOM 477 CA GLU A 39 -5.377 -10.197 -4.482 1.00 0.00 C ATOM 478 C GLU A 39 -6.858 -10.541 -4.353 1.00 0.00 C ATOM 479 O GLU A 39 -7.690 -10.040 -5.109 1.00 0.00 O ATOM 480 CB GLU A 39 -4.770 -10.941 -5.673 1.00 0.00 C ATOM 481 CG GLU A 39 -3.347 -10.518 -5.995 1.00 0.00 C ATOM 482 CD GLU A 39 -2.315 -11.282 -5.190 1.00 0.00 C ATOM 483 OE1 GLU A 39 -2.361 -12.530 -5.199 1.00 0.00 O ATOM 484 OE2 GLU A 39 -1.461 -10.633 -4.550 1.00 0.00 O ATOM 0 H GLU A 39 -4.109 -11.387 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.285 -9.124 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.784 -12.011 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.396 -10.777 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.159 -10.670 -7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.236 -9.451 -5.801 1.00 0.00 H new ATOM 491 N GLU A 40 -7.179 -11.401 -3.391 1.00 0.00 N ATOM 492 CA GLU A 40 -8.559 -11.813 -3.165 1.00 0.00 C ATOM 493 C GLU A 40 -9.164 -11.063 -1.982 1.00 0.00 C ATOM 494 O GLU A 40 -10.203 -10.415 -2.108 1.00 0.00 O ATOM 495 CB GLU A 40 -8.630 -13.321 -2.917 1.00 0.00 C ATOM 496 CG GLU A 40 -8.434 -14.154 -4.173 1.00 0.00 C ATOM 497 CD GLU A 40 -9.425 -13.805 -5.265 1.00 0.00 C ATOM 498 OE1 GLU A 40 -10.644 -13.919 -5.020 1.00 0.00 O ATOM 499 OE2 GLU A 40 -8.981 -13.416 -6.366 1.00 0.00 O ATOM 0 H GLU A 40 -6.502 -11.825 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.134 -11.571 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.870 -13.597 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.598 -13.563 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.421 -14.008 -4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.532 -15.210 -3.923 1.00 0.00 H new ATOM 506 N CYS A 41 -8.506 -11.157 -0.831 1.00 0.00 N ATOM 507 CA CYS A 41 -8.977 -10.489 0.376 1.00 0.00 C ATOM 508 C CYS A 41 -8.922 -8.972 0.216 1.00 0.00 C ATOM 509 O CYS A 41 -7.913 -8.419 -0.222 1.00 0.00 O ATOM 510 CB CYS A 41 -8.138 -10.916 1.582 1.00 0.00 C ATOM 511 SG CYS A 41 -9.048 -10.915 3.160 1.00 0.00 S ATOM 0 H CYS A 41 -7.645 -11.690 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.014 -10.782 0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.746 -11.917 1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.281 -10.249 1.669 1.00 0.00 H new ATOM 516 N LYS A 42 -10.014 -8.305 0.574 1.00 0.00 N ATOM 517 CA LYS A 42 -10.091 -6.853 0.472 1.00 0.00 C ATOM 518 C LYS A 42 -9.471 -6.188 1.697 1.00 0.00 C ATOM 519 O LYS A 42 -9.902 -5.114 2.118 1.00 0.00 O ATOM 520 CB LYS A 42 -11.548 -6.408 0.320 1.00 0.00 C ATOM 521 CG LYS A 42 -12.186 -6.851 -0.985 1.00 0.00 C ATOM 522 CD LYS A 42 -12.860 -8.206 -0.844 1.00 0.00 C ATOM 523 CE LYS A 42 -14.150 -8.106 -0.044 1.00 0.00 C ATOM 524 NZ LYS A 42 -15.222 -7.407 -0.806 1.00 0.00 N ATOM 0 H LYS A 42 -10.858 -8.747 0.938 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.530 -6.546 -0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.129 -6.805 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.596 -5.321 0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.920 -6.110 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.426 -6.901 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.074 -8.612 -1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.180 -8.903 -0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.489 -9.106 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.959 -7.573 0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.136 -7.549 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.009 -6.390 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.271 -7.793 -1.770 1.00 0.00 H new ATOM 538 N PHE A 43 -8.457 -6.832 2.264 1.00 0.00 N ATOM 539 CA PHE A 43 -7.777 -6.302 3.441 1.00 0.00 C ATOM 540 C PHE A 43 -6.265 -6.472 3.318 1.00 0.00 C ATOM 541 O PHE A 43 -5.782 -7.252 2.498 1.00 0.00 O ATOM 542 CB PHE A 43 -8.279 -7.003 4.705 1.00 0.00 C ATOM 543 CG PHE A 43 -9.749 -6.814 4.951 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.683 -7.292 4.047 1.00 0.00 C ATOM 545 CD2 PHE A 43 -10.195 -6.158 6.087 1.00 0.00 C ATOM 546 CE1 PHE A 43 -12.036 -7.120 4.270 1.00 0.00 C ATOM 547 CE2 PHE A 43 -11.547 -5.984 6.316 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.469 -6.464 5.406 1.00 0.00 C ATOM 0 H PHE A 43 -8.088 -7.721 1.928 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.001 -5.238 3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.066 -8.069 4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.724 -6.627 5.564 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.350 -7.805 3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.479 -5.779 6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.754 -7.498 3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -11.883 -5.473 7.206 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.526 -6.327 5.582 1.00 0.00 H new ATOM 558 N ALA A 44 -5.524 -5.735 4.139 1.00 0.00 N ATOM 559 CA ALA A 44 -4.068 -5.805 4.124 1.00 0.00 C ATOM 560 C ALA A 44 -3.550 -6.705 5.240 1.00 0.00 C ATOM 561 O ALA A 44 -4.007 -6.622 6.381 1.00 0.00 O ATOM 562 CB ALA A 44 -3.472 -4.410 4.249 1.00 0.00 C ATOM 0 H ALA A 44 -5.908 -5.083 4.823 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.759 -6.237 3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.384 -4.477 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.807 -3.795 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.797 -3.958 5.186 1.00 0.00 H new ATOM 568 N HIS A 45 -2.595 -7.566 4.904 1.00 0.00 N ATOM 569 CA HIS A 45 -2.015 -8.483 5.879 1.00 0.00 C ATOM 570 C HIS A 45 -0.522 -8.220 6.051 1.00 0.00 C ATOM 571 O HIS A 45 0.316 -8.760 5.328 1.00 0.00 O ATOM 572 CB HIS A 45 -2.243 -9.932 5.446 1.00 0.00 C ATOM 573 CG HIS A 45 -3.642 -10.208 4.990 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.790 -9.520 5.190 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -3.983 -11.308 4.232 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -5.794 -10.209 4.554 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.281 -11.284 3.984 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.206 -7.648 3.965 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.508 -8.316 6.837 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.552 -10.174 4.638 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.004 -10.593 6.279 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.297 -12.070 3.894 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.834 -9.919 4.525 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.798 -11.978 3.444 1.00 0.00 H new ATOM 585 N PRO A 46 -0.179 -7.370 7.030 1.00 0.00 N ATOM 586 CA PRO A 46 1.213 -7.015 7.320 1.00 0.00 C ATOM 587 C PRO A 46 1.994 -8.178 7.922 1.00 0.00 C ATOM 588 O PRO A 46 1.633 -8.726 8.964 1.00 0.00 O ATOM 589 CB PRO A 46 1.086 -5.875 8.332 1.00 0.00 C ATOM 590 CG PRO A 46 -0.234 -6.094 8.986 1.00 0.00 C ATOM 591 CD PRO A 46 -1.125 -6.689 7.931 1.00 0.00 C ATOM 0 HA PRO A 46 1.760 -6.742 6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.897 -5.900 9.060 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.128 -4.903 7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.140 -6.764 9.841 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.645 -5.156 9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.845 -7.386 8.359 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.697 -5.922 7.408 1.00 0.00 H new ATOM 599 N PRO A 47 3.091 -8.565 7.254 1.00 0.00 N ATOM 600 CA PRO A 47 3.946 -9.666 7.707 1.00 0.00 C ATOM 601 C PRO A 47 4.721 -9.316 8.972 1.00 0.00 C ATOM 602 O PRO A 47 4.653 -8.189 9.463 1.00 0.00 O ATOM 603 CB PRO A 47 4.906 -9.876 6.533 1.00 0.00 C ATOM 604 CG PRO A 47 4.949 -8.558 5.839 1.00 0.00 C ATOM 605 CD PRO A 47 3.581 -7.957 6.006 1.00 0.00 C ATOM 0 HA PRO A 47 3.366 -10.552 7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.896 -10.174 6.879 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.551 -10.663 5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.714 -7.914 6.272 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.195 -8.680 4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.626 -6.870 6.079 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.933 -8.193 5.162 1.00 0.00 H new ATOM 613 N LYS A 48 5.459 -10.289 9.497 1.00 0.00 N ATOM 614 CA LYS A 48 6.250 -10.083 10.705 1.00 0.00 C ATOM 615 C LYS A 48 7.276 -8.973 10.501 1.00 0.00 C ATOM 616 O LYS A 48 7.398 -8.069 11.328 1.00 0.00 O ATOM 617 CB LYS A 48 6.958 -11.380 11.102 1.00 0.00 C ATOM 618 CG LYS A 48 6.035 -12.408 11.734 1.00 0.00 C ATOM 619 CD LYS A 48 5.967 -12.244 13.243 1.00 0.00 C ATOM 620 CE LYS A 48 7.168 -12.879 13.927 1.00 0.00 C ATOM 621 NZ LYS A 48 6.994 -14.347 14.103 1.00 0.00 N ATOM 0 H LYS A 48 5.526 -11.228 9.105 1.00 0.00 H new ATOM 0 HA LYS A 48 5.574 -9.785 11.506 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.422 -11.816 10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.761 -11.146 11.801 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.035 -12.309 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.386 -13.411 11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.923 -11.184 13.493 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.050 -12.699 13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.065 -12.688 13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.321 -12.412 14.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.834 -14.742 14.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.153 -14.529 14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.874 -14.796 13.173 1.00 0.00 H new ATOM 635 N SER A 49 8.010 -9.047 9.396 1.00 0.00 N ATOM 636 CA SER A 49 9.027 -8.050 9.086 1.00 0.00 C ATOM 637 C SER A 49 8.427 -6.647 9.073 1.00 0.00 C ATOM 638 O SER A 49 9.062 -5.684 9.505 1.00 0.00 O ATOM 639 CB SER A 49 9.673 -8.353 7.732 1.00 0.00 C ATOM 640 OG SER A 49 10.733 -9.283 7.869 1.00 0.00 O ATOM 0 H SER A 49 7.919 -9.787 8.700 1.00 0.00 H new ATOM 0 HA SER A 49 9.790 -8.093 9.863 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.923 -8.750 7.048 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.050 -7.430 7.291 1.00 0.00 H new ATOM 0 HG SER A 49 11.128 -9.461 6.990 1.00 0.00 H new ATOM 646 N CYS A 50 7.200 -6.540 8.575 1.00 0.00 N ATOM 647 CA CYS A 50 6.512 -5.256 8.505 1.00 0.00 C ATOM 648 C CYS A 50 5.847 -4.922 9.836 1.00 0.00 C ATOM 649 O CYS A 50 5.239 -5.784 10.469 1.00 0.00 O ATOM 650 CB CYS A 50 5.467 -5.274 7.388 1.00 0.00 C ATOM 651 SG CYS A 50 6.166 -5.405 5.725 1.00 0.00 S ATOM 0 H CYS A 50 6.661 -7.327 8.214 1.00 0.00 H new ATOM 0 HA CYS A 50 7.252 -4.486 8.287 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.789 -6.112 7.553 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.870 -4.364 7.449 1.00 0.00 H new ATOM 0 HG CYS A 50 6.647 -4.252 5.364 1.00 0.00 H new ATOM 657 N GLN A 51 5.968 -3.666 10.253 1.00 0.00 N ATOM 658 CA GLN A 51 5.379 -3.219 11.510 1.00 0.00 C ATOM 659 C GLN A 51 3.858 -3.184 11.417 1.00 0.00 C ATOM 660 O GLN A 51 3.294 -3.078 10.327 1.00 0.00 O ATOM 661 CB GLN A 51 5.912 -1.835 11.884 1.00 0.00 C ATOM 662 CG GLN A 51 5.856 -1.543 13.374 1.00 0.00 C ATOM 663 CD GLN A 51 6.773 -2.443 14.180 1.00 0.00 C ATOM 664 OE1 GLN A 51 7.352 -3.392 13.650 1.00 0.00 O ATOM 665 NE2 GLN A 51 6.909 -2.150 15.468 1.00 0.00 N ATOM 0 H GLN A 51 6.468 -2.940 9.739 1.00 0.00 H new ATOM 0 HA GLN A 51 5.660 -3.930 12.287 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.944 -1.748 11.544 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.336 -1.077 11.352 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.130 -0.502 13.547 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.832 -1.665 13.726 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.410 -1.354 15.865 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.512 -2.721 16.060 1.00 0.00 H new ATOM 674 N VAL A 52 3.197 -3.274 12.567 1.00 0.00 N ATOM 675 CA VAL A 52 1.740 -3.252 12.615 1.00 0.00 C ATOM 676 C VAL A 52 1.240 -2.281 13.679 1.00 0.00 C ATOM 677 O VAL A 52 1.593 -2.395 14.852 1.00 0.00 O ATOM 678 CB VAL A 52 1.166 -4.652 12.903 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.355 -4.621 12.882 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.701 -5.663 11.901 1.00 0.00 C ATOM 0 H VAL A 52 3.648 -3.363 13.478 1.00 0.00 H new ATOM 0 HA VAL A 52 1.396 -2.922 11.635 1.00 0.00 H new ATOM 0 HB VAL A 52 1.485 -4.958 13.899 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.742 -5.619 13.087 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.715 -3.928 13.643 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.699 -4.293 11.901 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.285 -6.647 12.119 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.414 -5.363 10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.788 -5.705 11.971 1.00 0.00 H new ATOM 690 N GLU A 53 0.416 -1.325 13.260 1.00 0.00 N ATOM 691 CA GLU A 53 -0.132 -0.334 14.178 1.00 0.00 C ATOM 692 C GLU A 53 -1.428 -0.835 14.810 1.00 0.00 C ATOM 693 O GLU A 53 -2.024 -1.804 14.342 1.00 0.00 O ATOM 694 CB GLU A 53 -0.386 0.986 13.446 1.00 0.00 C ATOM 695 CG GLU A 53 0.872 1.810 13.224 1.00 0.00 C ATOM 696 CD GLU A 53 1.861 1.126 12.301 1.00 0.00 C ATOM 697 OE1 GLU A 53 1.416 0.465 11.340 1.00 0.00 O ATOM 698 OE2 GLU A 53 3.080 1.252 12.539 1.00 0.00 O ATOM 0 H GLU A 53 0.114 -1.216 12.292 1.00 0.00 H new ATOM 0 HA GLU A 53 0.598 -0.168 14.970 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.847 0.774 12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.101 1.577 14.018 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.599 2.778 12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.350 2.003 14.184 1.00 0.00 H new ATOM 705 N ASN A 54 -1.856 -0.166 15.876 1.00 0.00 N ATOM 706 CA ASN A 54 -3.080 -0.544 16.573 1.00 0.00 C ATOM 707 C ASN A 54 -4.258 -0.614 15.606 1.00 0.00 C ATOM 708 O ASN A 54 -4.762 0.411 15.149 1.00 0.00 O ATOM 709 CB ASN A 54 -3.384 0.455 17.692 1.00 0.00 C ATOM 710 CG ASN A 54 -4.543 0.013 18.564 1.00 0.00 C ATOM 711 OD1 ASN A 54 -5.617 0.614 18.540 1.00 0.00 O ATOM 712 ND2 ASN A 54 -4.330 -1.044 19.339 1.00 0.00 N ATOM 0 H ASN A 54 -1.374 0.639 16.275 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.930 -1.532 17.007 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.496 0.584 18.311 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.612 1.427 17.255 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.073 -1.389 19.947 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.423 -1.511 19.326 1.00 0.00 H new ATOM 719 N GLY A 55 -4.693 -1.833 15.299 1.00 0.00 N ATOM 720 CA GLY A 55 -5.808 -2.015 14.388 1.00 0.00 C ATOM 721 C GLY A 55 -5.598 -1.306 13.065 1.00 0.00 C ATOM 722 O GLY A 55 -6.556 -1.025 12.345 1.00 0.00 O ATOM 0 H GLY A 55 -4.293 -2.697 15.665 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.955 -3.080 14.207 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.720 -1.643 14.855 1.00 0.00 H new ATOM 726 N ARG A 56 -4.341 -1.014 12.745 1.00 0.00 N ATOM 727 CA ARG A 56 -4.009 -0.330 11.501 1.00 0.00 C ATOM 728 C ARG A 56 -2.576 -0.640 11.076 1.00 0.00 C ATOM 729 O ARG A 56 -1.794 -1.192 11.850 1.00 0.00 O ATOM 730 CB ARG A 56 -4.190 1.180 11.660 1.00 0.00 C ATOM 731 CG ARG A 56 -4.651 1.876 10.390 1.00 0.00 C ATOM 732 CD ARG A 56 -5.258 3.238 10.689 1.00 0.00 C ATOM 733 NE ARG A 56 -4.238 4.275 10.820 1.00 0.00 N ATOM 734 CZ ARG A 56 -4.394 5.370 11.554 1.00 0.00 C ATOM 735 NH1 ARG A 56 -5.522 5.571 12.221 1.00 0.00 N ATOM 736 NH2 ARG A 56 -3.419 6.268 11.623 1.00 0.00 N ATOM 0 H ARG A 56 -3.537 -1.240 13.330 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.686 -0.690 10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.915 1.369 12.451 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.245 1.619 11.982 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.806 1.994 9.712 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.385 1.254 9.879 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.950 3.509 9.892 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.838 3.182 11.610 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.358 4.151 10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.273 4.883 12.171 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.638 6.414 12.784 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.549 6.117 11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.539 7.109 12.187 1.00 0.00 H new ATOM 750 N VAL A 57 -2.240 -0.281 9.841 1.00 0.00 N ATOM 751 CA VAL A 57 -0.902 -0.520 9.313 1.00 0.00 C ATOM 752 C VAL A 57 -0.537 0.513 8.253 1.00 0.00 C ATOM 753 O VAL A 57 -1.366 0.882 7.420 1.00 0.00 O ATOM 754 CB VAL A 57 -0.782 -1.929 8.704 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.610 -2.034 7.432 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.675 -2.269 8.430 1.00 0.00 C ATOM 0 H VAL A 57 -2.876 0.176 9.188 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.211 -0.435 10.152 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.171 -2.650 9.423 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.513 -3.037 7.016 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.657 -1.837 7.662 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.254 -1.304 6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.741 -3.268 8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.092 -1.545 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.238 -2.238 9.363 1.00 0.00 H new ATOM 766 N ILE A 58 0.708 0.976 8.289 1.00 0.00 N ATOM 767 CA ILE A 58 1.183 1.965 7.330 1.00 0.00 C ATOM 768 C ILE A 58 1.658 1.299 6.043 1.00 0.00 C ATOM 769 O ILE A 58 2.398 0.317 6.077 1.00 0.00 O ATOM 770 CB ILE A 58 2.332 2.808 7.914 1.00 0.00 C ATOM 771 CG1 ILE A 58 1.909 3.436 9.243 1.00 0.00 C ATOM 772 CG2 ILE A 58 2.756 3.883 6.924 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.071 3.942 10.069 1.00 0.00 C ATOM 0 H ILE A 58 1.406 0.682 8.972 1.00 0.00 H new ATOM 0 HA ILE A 58 0.340 2.619 7.107 1.00 0.00 H new ATOM 0 HB ILE A 58 3.185 2.155 8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.228 4.263 9.044 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.355 2.699 9.824 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.569 4.471 7.351 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.094 3.414 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.909 4.536 6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.697 4.374 10.997 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.742 3.114 10.299 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.613 4.703 9.507 1.00 0.00 H new ATOM 785 N ALA A 59 1.229 1.843 4.909 1.00 0.00 N ATOM 786 CA ALA A 59 1.613 1.304 3.610 1.00 0.00 C ATOM 787 C ALA A 59 2.946 1.883 3.149 1.00 0.00 C ATOM 788 O ALA A 59 3.152 3.096 3.179 1.00 0.00 O ATOM 789 CB ALA A 59 0.529 1.585 2.581 1.00 0.00 C ATOM 0 H ALA A 59 0.615 2.657 4.864 1.00 0.00 H new ATOM 0 HA ALA A 59 1.731 0.225 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.829 1.177 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.404 1.118 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.384 2.661 2.490 1.00 0.00 H new ATOM 795 N CYS A 60 3.850 1.007 2.722 1.00 0.00 N ATOM 796 CA CYS A 60 5.165 1.430 2.256 1.00 0.00 C ATOM 797 C CYS A 60 5.040 2.384 1.071 1.00 0.00 C ATOM 798 O CYS A 60 4.207 2.186 0.186 1.00 0.00 O ATOM 799 CB CYS A 60 6.004 0.214 1.859 1.00 0.00 C ATOM 800 SG CYS A 60 7.649 0.630 1.195 1.00 0.00 S ATOM 0 H CYS A 60 3.695 -0.001 2.689 1.00 0.00 H new ATOM 0 HA CYS A 60 5.661 1.954 3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.128 -0.429 2.731 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.458 -0.363 1.113 1.00 0.00 H new ATOM 805 N PHE A 61 5.874 3.418 1.061 1.00 0.00 N ATOM 806 CA PHE A 61 5.858 4.404 -0.014 1.00 0.00 C ATOM 807 C PHE A 61 6.398 3.804 -1.309 1.00 0.00 C ATOM 808 O PHE A 61 5.690 3.730 -2.314 1.00 0.00 O ATOM 809 CB PHE A 61 6.684 5.630 0.377 1.00 0.00 C ATOM 810 CG PHE A 61 6.951 6.564 -0.769 1.00 0.00 C ATOM 811 CD1 PHE A 61 6.058 7.578 -1.076 1.00 0.00 C ATOM 812 CD2 PHE A 61 8.094 6.427 -1.540 1.00 0.00 C ATOM 813 CE1 PHE A 61 6.300 8.439 -2.129 1.00 0.00 C ATOM 814 CE2 PHE A 61 8.342 7.285 -2.595 1.00 0.00 C ATOM 815 CZ PHE A 61 7.443 8.292 -2.890 1.00 0.00 C ATOM 0 H PHE A 61 6.570 3.595 1.785 1.00 0.00 H new ATOM 0 HA PHE A 61 4.825 4.709 -0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.162 6.174 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.635 5.299 0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.162 7.697 -0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.799 5.641 -1.314 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.596 9.226 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.237 7.168 -3.188 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.634 8.963 -3.714 1.00 0.00 H new ATOM 825 N ASP A 62 7.656 3.380 -1.278 1.00 0.00 N ATOM 826 CA ASP A 62 8.292 2.787 -2.449 1.00 0.00 C ATOM 827 C ASP A 62 7.414 1.693 -3.049 1.00 0.00 C ATOM 828 O ASP A 62 7.142 1.690 -4.249 1.00 0.00 O ATOM 829 CB ASP A 62 9.660 2.212 -2.076 1.00 0.00 C ATOM 830 CG ASP A 62 10.761 3.252 -2.140 1.00 0.00 C ATOM 831 OD1 ASP A 62 11.128 3.661 -3.262 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.256 3.659 -1.068 1.00 0.00 O ATOM 0 H ASP A 62 8.256 3.436 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 62 8.426 3.570 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.614 1.797 -1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.901 1.390 -2.749 1.00 0.00 H new ATOM 837 N SER A 63 6.974 0.765 -2.205 1.00 0.00 N ATOM 838 CA SER A 63 6.131 -0.337 -2.653 1.00 0.00 C ATOM 839 C SER A 63 5.101 0.145 -3.670 1.00 0.00 C ATOM 840 O SER A 63 4.906 -0.475 -4.716 1.00 0.00 O ATOM 841 CB SER A 63 5.423 -0.983 -1.460 1.00 0.00 C ATOM 842 OG SER A 63 4.321 -0.200 -1.036 1.00 0.00 O ATOM 0 H SER A 63 7.187 0.755 -1.208 1.00 0.00 H new ATOM 0 HA SER A 63 6.770 -1.079 -3.133 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.080 -1.981 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.127 -1.102 -0.636 1.00 0.00 H new ATOM 0 HG SER A 63 4.640 0.672 -0.722 1.00 0.00 H new ATOM 848 N LEU A 64 4.443 1.256 -3.354 1.00 0.00 N ATOM 849 CA LEU A 64 3.432 1.823 -4.239 1.00 0.00 C ATOM 850 C LEU A 64 3.935 1.875 -5.679 1.00 0.00 C ATOM 851 O LEU A 64 3.195 1.582 -6.618 1.00 0.00 O ATOM 852 CB LEU A 64 3.047 3.228 -3.771 1.00 0.00 C ATOM 853 CG LEU A 64 2.493 3.333 -2.350 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.311 4.791 -1.955 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.177 2.579 -2.233 1.00 0.00 C ATOM 0 H LEU A 64 4.592 1.781 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 64 2.552 1.180 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.926 3.868 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.303 3.628 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 64 3.210 2.879 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.916 4.847 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.273 5.302 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.614 5.270 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.798 2.665 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.452 3.003 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.337 1.528 -2.473 1.00 0.00 H new ATOM 867 N LYS A 65 5.200 2.247 -5.845 1.00 0.00 N ATOM 868 CA LYS A 65 5.804 2.334 -7.169 1.00 0.00 C ATOM 869 C LYS A 65 5.942 0.950 -7.796 1.00 0.00 C ATOM 870 O LYS A 65 5.896 0.804 -9.016 1.00 0.00 O ATOM 871 CB LYS A 65 7.177 3.005 -7.082 1.00 0.00 C ATOM 872 CG LYS A 65 7.108 4.518 -6.964 1.00 0.00 C ATOM 873 CD LYS A 65 6.888 5.173 -8.317 1.00 0.00 C ATOM 874 CE LYS A 65 6.865 6.690 -8.204 1.00 0.00 C ATOM 875 NZ LYS A 65 5.675 7.172 -7.448 1.00 0.00 N ATOM 0 H LYS A 65 5.827 2.493 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 65 5.151 2.936 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.713 2.606 -6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.756 2.744 -7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.298 4.795 -6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.032 4.892 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.680 4.870 -9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.947 4.824 -8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.773 7.031 -7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.863 7.129 -9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.632 8.210 -7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.812 6.770 -7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.750 6.872 -6.455 1.00 0.00 H new ATOM 889 N GLY A 66 6.109 -0.063 -6.951 1.00 0.00 N ATOM 890 CA GLY A 66 6.249 -1.422 -7.442 1.00 0.00 C ATOM 891 C GLY A 66 7.637 -1.983 -7.206 1.00 0.00 C ATOM 892 O GLY A 66 7.850 -3.192 -7.304 1.00 0.00 O ATOM 0 H GLY A 66 6.150 0.033 -5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.514 -2.060 -6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.028 -1.444 -8.509 1.00 0.00 H new ATOM 896 N ARG A 67 8.584 -1.105 -6.894 1.00 0.00 N ATOM 897 CA ARG A 67 9.960 -1.520 -6.646 1.00 0.00 C ATOM 898 C ARG A 67 10.484 -0.915 -5.347 1.00 0.00 C ATOM 899 O ARG A 67 10.758 0.284 -5.274 1.00 0.00 O ATOM 900 CB ARG A 67 10.858 -1.106 -7.813 1.00 0.00 C ATOM 901 CG ARG A 67 12.304 -1.549 -7.656 1.00 0.00 C ATOM 902 CD ARG A 67 12.450 -3.050 -7.851 1.00 0.00 C ATOM 903 NE ARG A 67 12.395 -3.427 -9.261 1.00 0.00 N ATOM 904 CZ ARG A 67 12.939 -4.536 -9.747 1.00 0.00 C ATOM 905 NH1 ARG A 67 13.576 -5.374 -8.941 1.00 0.00 N ATOM 906 NH2 ARG A 67 12.846 -4.810 -11.042 1.00 0.00 N ATOM 0 H ARG A 67 8.424 -0.101 -6.807 1.00 0.00 H new ATOM 0 HA ARG A 67 9.975 -2.606 -6.553 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.457 -1.525 -8.736 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.828 -0.021 -7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.927 -1.024 -8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.665 -1.273 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.397 -3.381 -7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.658 -3.565 -7.307 1.00 0.00 H new ATOM 0 HE ARG A 67 11.912 -2.804 -9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.649 -5.167 -7.945 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.993 -6.225 -9.317 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.356 -4.168 -11.665 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.264 -5.662 -11.414 1.00 0.00 H new ATOM 920 N CYS A 68 10.621 -1.751 -4.324 1.00 0.00 N ATOM 921 CA CYS A 68 11.112 -1.301 -3.027 1.00 0.00 C ATOM 922 C CYS A 68 12.588 -1.645 -2.854 1.00 0.00 C ATOM 923 O CYS A 68 13.087 -2.602 -3.446 1.00 0.00 O ATOM 924 CB CYS A 68 10.293 -1.935 -1.901 1.00 0.00 C ATOM 925 SG CYS A 68 10.788 -1.400 -0.231 1.00 0.00 S ATOM 0 H CYS A 68 10.399 -2.745 -4.368 1.00 0.00 H new ATOM 0 HA CYS A 68 11.003 -0.217 -2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.241 -1.694 -2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.384 -3.019 -1.966 1.00 0.00 H new ATOM 930 N SER A 69 13.282 -0.858 -2.038 1.00 0.00 N ATOM 931 CA SER A 69 14.702 -1.077 -1.789 1.00 0.00 C ATOM 932 C SER A 69 14.944 -1.479 -0.338 1.00 0.00 C ATOM 933 O SER A 69 15.578 -2.498 -0.062 1.00 0.00 O ATOM 934 CB SER A 69 15.500 0.186 -2.120 1.00 0.00 C ATOM 935 OG SER A 69 16.875 0.013 -1.824 1.00 0.00 O ATOM 0 H SER A 69 12.884 -0.063 -1.538 1.00 0.00 H new ATOM 0 HA SER A 69 15.037 -1.890 -2.433 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.380 0.429 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.106 1.028 -1.552 1.00 0.00 H new ATOM 0 HG SER A 69 17.363 0.833 -2.046 1.00 0.00 H new ATOM 941 N ARG A 70 14.433 -0.672 0.586 1.00 0.00 N ATOM 942 CA ARG A 70 14.594 -0.942 2.010 1.00 0.00 C ATOM 943 C ARG A 70 14.575 -2.444 2.284 1.00 0.00 C ATOM 944 O ARG A 70 13.535 -3.092 2.169 1.00 0.00 O ATOM 945 CB ARG A 70 13.487 -0.254 2.810 1.00 0.00 C ATOM 946 CG ARG A 70 13.454 1.255 2.630 1.00 0.00 C ATOM 947 CD ARG A 70 12.705 1.936 3.765 1.00 0.00 C ATOM 948 NE ARG A 70 13.591 2.291 4.870 1.00 0.00 N ATOM 949 CZ ARG A 70 13.195 2.974 5.938 1.00 0.00 C ATOM 950 NH1 ARG A 70 11.935 3.373 6.045 1.00 0.00 N ATOM 951 NH2 ARG A 70 14.061 3.259 6.903 1.00 0.00 N ATOM 0 H ARG A 70 13.904 0.174 0.374 1.00 0.00 H new ATOM 0 HA ARG A 70 15.560 -0.544 2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.524 -0.668 2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.619 -0.483 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.473 1.639 2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.977 1.499 1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.216 2.835 3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.919 1.274 4.129 1.00 0.00 H new ATOM 0 HE ARG A 70 14.567 1.999 4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.267 3.156 5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.634 3.897 6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.031 2.953 6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.756 3.784 7.723 1.00 0.00 H new ATOM 965 N GLU A 71 15.733 -2.988 2.645 1.00 0.00 N ATOM 966 CA GLU A 71 15.849 -4.413 2.933 1.00 0.00 C ATOM 967 C GLU A 71 14.832 -4.839 3.988 1.00 0.00 C ATOM 968 O GLU A 71 13.917 -5.613 3.707 1.00 0.00 O ATOM 969 CB GLU A 71 17.264 -4.746 3.410 1.00 0.00 C ATOM 970 CG GLU A 71 18.257 -4.944 2.277 1.00 0.00 C ATOM 971 CD GLU A 71 18.856 -3.638 1.792 1.00 0.00 C ATOM 972 OE1 GLU A 71 18.163 -2.902 1.060 1.00 0.00 O ATOM 973 OE2 GLU A 71 20.020 -3.352 2.146 1.00 0.00 O ATOM 0 H GLU A 71 16.603 -2.465 2.745 1.00 0.00 H new ATOM 0 HA GLU A 71 15.645 -4.961 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.619 -3.943 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.231 -5.652 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 71 19.057 -5.604 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.759 -5.442 1.445 1.00 0.00 H new ATOM 980 N ASN A 72 14.999 -4.328 5.204 1.00 0.00 N ATOM 981 CA ASN A 72 14.097 -4.656 6.302 1.00 0.00 C ATOM 982 C ASN A 72 12.943 -3.661 6.373 1.00 0.00 C ATOM 983 O ASN A 72 12.543 -3.234 7.456 1.00 0.00 O ATOM 984 CB ASN A 72 14.859 -4.666 7.629 1.00 0.00 C ATOM 985 CG ASN A 72 15.547 -3.345 7.911 1.00 0.00 C ATOM 986 OD1 ASN A 72 14.903 -2.297 7.966 1.00 0.00 O ATOM 987 ND2 ASN A 72 16.862 -3.389 8.092 1.00 0.00 N ATOM 0 H ASN A 72 15.751 -3.685 5.454 1.00 0.00 H new ATOM 0 HA ASN A 72 13.687 -5.649 6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.167 -4.893 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 72 15.602 -5.463 7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.379 -2.531 8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.355 -4.280 8.037 1.00 0.00 H new ATOM 994 N CYS A 73 12.410 -3.297 5.211 1.00 0.00 N ATOM 995 CA CYS A 73 11.302 -2.353 5.140 1.00 0.00 C ATOM 996 C CYS A 73 10.263 -2.651 6.218 1.00 0.00 C ATOM 997 O CYS A 73 9.634 -3.709 6.214 1.00 0.00 O ATOM 998 CB CYS A 73 10.648 -2.406 3.758 1.00 0.00 C ATOM 999 SG CYS A 73 9.358 -1.145 3.496 1.00 0.00 S ATOM 0 H CYS A 73 12.728 -3.642 4.305 1.00 0.00 H new ATOM 0 HA CYS A 73 11.699 -1.352 5.309 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.420 -2.284 2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.210 -3.394 3.613 1.00 0.00 H new ATOM 1004 N LYS A 74 10.089 -1.710 7.139 1.00 0.00 N ATOM 1005 CA LYS A 74 9.127 -1.869 8.223 1.00 0.00 C ATOM 1006 C LYS A 74 7.745 -1.381 7.800 1.00 0.00 C ATOM 1007 O LYS A 74 7.011 -0.797 8.597 1.00 0.00 O ATOM 1008 CB LYS A 74 9.593 -1.102 9.463 1.00 0.00 C ATOM 1009 CG LYS A 74 9.633 0.403 9.267 1.00 0.00 C ATOM 1010 CD LYS A 74 10.338 1.097 10.420 1.00 0.00 C ATOM 1011 CE LYS A 74 10.527 2.581 10.146 1.00 0.00 C ATOM 1012 NZ LYS A 74 11.463 3.210 11.120 1.00 0.00 N ATOM 0 H LYS A 74 10.602 -0.829 7.157 1.00 0.00 H new ATOM 0 HA LYS A 74 9.061 -2.930 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.928 -1.334 10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.587 -1.450 9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.145 0.636 8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.617 0.786 9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.759 0.966 11.334 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.309 0.630 10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.909 2.718 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.562 3.085 10.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.565 4.221 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.086 3.102 12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.392 2.746 11.058 1.00 0.00 H new ATOM 1026 N TYR A 75 7.396 -1.626 6.542 1.00 0.00 N ATOM 1027 CA TYR A 75 6.103 -1.210 6.013 1.00 0.00 C ATOM 1028 C TYR A 75 5.528 -2.273 5.081 1.00 0.00 C ATOM 1029 O TYR A 75 6.245 -2.851 4.262 1.00 0.00 O ATOM 1030 CB TYR A 75 6.236 0.119 5.268 1.00 0.00 C ATOM 1031 CG TYR A 75 6.634 1.274 6.158 1.00 0.00 C ATOM 1032 CD1 TYR A 75 5.681 1.976 6.887 1.00 0.00 C ATOM 1033 CD2 TYR A 75 7.963 1.664 6.271 1.00 0.00 C ATOM 1034 CE1 TYR A 75 6.040 3.033 7.701 1.00 0.00 C ATOM 1035 CE2 TYR A 75 8.331 2.719 7.084 1.00 0.00 C ATOM 1036 CZ TYR A 75 7.366 3.400 7.796 1.00 0.00 C ATOM 1037 OH TYR A 75 7.728 4.452 8.607 1.00 0.00 O ATOM 0 H TYR A 75 7.991 -2.111 5.870 1.00 0.00 H new ATOM 0 HA TYR A 75 5.420 -1.081 6.853 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.977 0.009 4.476 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.287 0.353 4.786 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.642 1.690 6.816 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.721 1.134 5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.287 3.569 8.260 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.369 3.009 7.161 1.00 0.00 H new ATOM 0 HH TYR A 75 8.699 4.580 8.562 1.00 0.00 H new ATOM 1047 N LEU A 76 4.231 -2.526 5.211 1.00 0.00 N ATOM 1048 CA LEU A 76 3.558 -3.518 4.380 1.00 0.00 C ATOM 1049 C LEU A 76 3.302 -2.973 2.979 1.00 0.00 C ATOM 1050 O LEU A 76 3.140 -1.767 2.790 1.00 0.00 O ATOM 1051 CB LEU A 76 2.236 -3.939 5.025 1.00 0.00 C ATOM 1052 CG LEU A 76 1.246 -4.665 4.113 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.710 -6.089 3.847 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.146 -4.662 4.728 1.00 0.00 C ATOM 0 H LEU A 76 3.624 -2.058 5.884 1.00 0.00 H new ATOM 0 HA LEU A 76 4.209 -4.388 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.459 -4.585 5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.748 -3.048 5.422 1.00 0.00 H new ATOM 0 HG LEU A 76 1.203 -4.135 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.993 -6.590 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.687 -6.069 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.783 -6.630 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.838 -5.183 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.118 -5.167 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.481 -3.634 4.866 1.00 0.00 H new ATOM 1066 N HIS A 77 3.267 -3.870 1.998 1.00 0.00 N ATOM 1067 CA HIS A 77 3.028 -3.479 0.613 1.00 0.00 C ATOM 1068 C HIS A 77 1.623 -3.875 0.171 1.00 0.00 C ATOM 1069 O HIS A 77 1.374 -5.005 -0.250 1.00 0.00 O ATOM 1070 CB HIS A 77 4.066 -4.123 -0.307 1.00 0.00 C ATOM 1071 CG HIS A 77 5.477 -3.747 0.025 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.009 -3.210 1.148 1.00 0.00 N flip ATOM 1073 CD2 HIS A 77 6.527 -3.912 -0.854 1.00 0.00 C flip ATOM 1074 CE1 HIS A 77 7.357 -3.063 0.930 1.00 0.00 C flip ATOM 1075 NE2 HIS A 77 7.643 -3.494 -0.285 1.00 0.00 N flip ATOM 0 H HIS A 77 3.401 -4.872 2.136 1.00 0.00 H new ATOM 0 HA HIS A 77 3.118 -2.395 0.547 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.965 -5.207 -0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.855 -3.835 -1.337 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.449 -4.319 -1.851 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.067 -2.661 1.637 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.569 -3.503 -0.712 1.00 0.00 H new ATOM 1083 N PRO A 78 0.681 -2.925 0.269 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.715 -3.152 -0.116 1.00 0.00 C ATOM 1085 C PRO A 78 -0.884 -3.302 -1.624 1.00 0.00 C ATOM 1086 O PRO A 78 -0.115 -2.757 -2.416 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.429 -1.891 0.379 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.370 -0.844 0.410 1.00 0.00 C ATOM 1089 CD PRO A 78 0.907 -1.556 0.762 1.00 0.00 C ATOM 0 HA PRO A 78 -1.109 -4.076 0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.244 -1.610 -0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.864 -2.044 1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.285 -0.346 -0.556 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.603 -0.075 1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.770 -1.094 0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.093 -1.541 1.836 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.913 -4.058 -2.033 1.00 0.00 N ATOM 1098 CA PRO A 79 -2.208 -4.295 -3.450 1.00 0.00 C ATOM 1099 C PRO A 79 -2.720 -3.044 -4.154 1.00 0.00 C ATOM 1100 O PRO A 79 -2.982 -2.023 -3.516 1.00 0.00 O ATOM 1101 CB PRO A 79 -3.297 -5.370 -3.410 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.952 -5.197 -2.083 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.871 -4.738 -1.144 1.00 0.00 C ATOM 0 HA PRO A 79 -1.319 -4.589 -4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.011 -5.241 -4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.872 -6.368 -3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.758 -4.465 -2.138 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.394 -6.133 -1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.261 -4.063 -0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.410 -5.576 -0.622 1.00 0.00 H new ATOM 1111 N THR A 80 -2.861 -3.128 -5.473 1.00 0.00 N ATOM 1112 CA THR A 80 -3.341 -2.002 -6.264 1.00 0.00 C ATOM 1113 C THR A 80 -4.634 -1.437 -5.688 1.00 0.00 C ATOM 1114 O THR A 80 -4.656 -0.326 -5.156 1.00 0.00 O ATOM 1115 CB THR A 80 -3.579 -2.407 -7.731 1.00 0.00 C ATOM 1116 OG1 THR A 80 -2.473 -3.178 -8.212 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.767 -1.178 -8.607 1.00 0.00 C ATOM 0 H THR A 80 -2.649 -3.965 -6.016 1.00 0.00 H new ATOM 0 HA THR A 80 -2.566 -1.237 -6.228 1.00 0.00 H new ATOM 0 HB THR A 80 -4.487 -3.008 -7.777 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.633 -3.433 -9.145 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.934 -1.488 -9.639 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.628 -0.609 -8.256 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.874 -0.554 -8.555 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.711 -2.209 -5.796 1.00 0.00 N ATOM 1126 CA HIS A 81 -7.010 -1.785 -5.283 1.00 0.00 C ATOM 1127 C HIS A 81 -6.858 -1.068 -3.945 1.00 0.00 C ATOM 1128 O HIS A 81 -7.403 0.018 -3.746 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.938 -2.990 -5.128 1.00 0.00 C ATOM 1130 CG HIS A 81 -7.393 -4.053 -4.225 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.635 -4.316 -2.920 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -6.481 -5.000 -4.643 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.873 -5.406 -2.576 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -6.187 -5.799 -3.633 1.00 0.00 N flip ATOM 0 H HIS A 81 -5.710 -3.130 -6.234 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.447 -1.089 -5.999 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.898 -2.651 -4.739 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.127 -3.422 -6.111 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -8.266 -3.801 -2.306 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -6.072 -5.076 -5.640 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.841 -5.866 -1.600 1.00 0.00 H new ATOM 1142 N LEU A 82 -6.116 -1.684 -3.031 1.00 0.00 N ATOM 1143 CA LEU A 82 -5.894 -1.105 -1.710 1.00 0.00 C ATOM 1144 C LEU A 82 -5.056 0.166 -1.807 1.00 0.00 C ATOM 1145 O LEU A 82 -5.191 1.076 -0.989 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.201 -2.118 -0.798 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.102 -3.181 -0.168 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.319 -4.023 0.828 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.301 -2.530 0.508 1.00 0.00 C ATOM 0 H LEU A 82 -5.658 -2.583 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.864 -0.847 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.425 -2.623 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.701 -1.573 0.003 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.466 -3.836 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.977 -4.774 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.493 -4.518 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.925 -3.382 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.932 -3.301 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.955 -1.852 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.876 -1.971 -0.230 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.191 0.223 -2.814 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.332 1.383 -3.021 1.00 0.00 C ATOM 1163 C LYS A 83 -4.145 2.582 -3.501 1.00 0.00 C ATOM 1164 O LYS A 83 -3.937 3.708 -3.047 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.236 1.057 -4.037 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.804 2.251 -4.871 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.516 1.968 -5.625 1.00 0.00 C ATOM 1168 CE LYS A 83 -0.794 1.386 -7.003 1.00 0.00 C ATOM 1169 NZ LYS A 83 -1.435 2.382 -7.906 1.00 0.00 N ATOM 0 H LYS A 83 -4.066 -0.521 -3.500 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.870 1.637 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.369 0.661 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.591 0.270 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.593 2.506 -5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.665 3.117 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.057 2.889 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.097 1.273 -5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.140 1.041 -7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.441 0.514 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.246 2.125 -8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.462 2.391 -7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.045 3.327 -7.713 1.00 0.00 H new ATOM 1183 N THR A 84 -5.072 2.333 -4.420 1.00 0.00 N ATOM 1184 CA THR A 84 -5.916 3.391 -4.961 1.00 0.00 C ATOM 1185 C THR A 84 -6.725 4.066 -3.860 1.00 0.00 C ATOM 1186 O THR A 84 -6.928 5.279 -3.881 1.00 0.00 O ATOM 1187 CB THR A 84 -6.880 2.849 -6.032 1.00 0.00 C ATOM 1188 OG1 THR A 84 -6.169 2.017 -6.956 1.00 0.00 O ATOM 1189 CG2 THR A 84 -7.552 3.989 -6.783 1.00 0.00 C ATOM 0 H THR A 84 -5.258 1.407 -4.806 1.00 0.00 H new ATOM 0 HA THR A 84 -5.250 4.122 -5.419 1.00 0.00 H new ATOM 0 HB THR A 84 -7.649 2.261 -5.531 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.790 1.675 -7.633 1.00 0.00 H new ATOM 0 HG21 THR A 84 -8.228 3.581 -7.534 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.117 4.604 -6.082 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.793 4.600 -7.272 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.185 3.271 -2.898 1.00 0.00 N ATOM 1198 CA GLN A 85 -7.973 3.794 -1.788 1.00 0.00 C ATOM 1199 C GLN A 85 -7.168 4.805 -0.978 1.00 0.00 C ATOM 1200 O GLN A 85 -7.733 5.641 -0.271 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.438 2.651 -0.883 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.574 1.832 -1.473 1.00 0.00 C ATOM 1203 CD GLN A 85 -9.754 0.498 -0.776 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -9.347 -0.544 -1.291 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -10.367 0.522 0.402 1.00 0.00 N ATOM 0 H GLN A 85 -7.026 2.264 -2.865 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.846 4.300 -2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.593 1.992 -0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.757 3.063 0.074 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.501 2.401 -1.405 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.382 1.661 -2.532 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.688 1.408 0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.517 -0.346 0.917 1.00 0.00 H new ATOM 1214 N LEU A 86 -5.847 4.723 -1.084 1.00 0.00 N ATOM 1215 CA LEU A 86 -4.963 5.631 -0.360 1.00 0.00 C ATOM 1216 C LEU A 86 -4.863 6.976 -1.073 1.00 0.00 C ATOM 1217 O LEU A 86 -5.177 8.018 -0.499 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.572 5.013 -0.216 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.454 3.848 0.769 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -2.161 3.081 0.535 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -3.525 4.352 2.203 1.00 0.00 C ATOM 0 H LEU A 86 -5.364 4.037 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.385 5.796 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.246 4.668 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.879 5.795 0.093 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.291 3.170 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.094 2.256 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.150 2.687 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.311 3.749 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.439 3.510 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.709 5.052 2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.478 4.856 2.365 1.00 0.00 H new ATOM 1233 N GLU A 87 -4.425 6.944 -2.328 1.00 0.00 N ATOM 1234 CA GLU A 87 -4.285 8.161 -3.119 1.00 0.00 C ATOM 1235 C GLU A 87 -5.547 9.014 -3.032 1.00 0.00 C ATOM 1236 O GLU A 87 -5.478 10.243 -3.010 1.00 0.00 O ATOM 1237 CB GLU A 87 -3.990 7.815 -4.580 1.00 0.00 C ATOM 1238 CG GLU A 87 -5.147 7.131 -5.289 1.00 0.00 C ATOM 1239 CD GLU A 87 -5.014 7.176 -6.799 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -3.874 7.072 -7.298 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -6.050 7.314 -7.482 1.00 0.00 O ATOM 0 H GLU A 87 -4.161 6.089 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.451 8.734 -2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.735 8.729 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.115 7.166 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.205 6.092 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.082 7.609 -4.996 1.00 0.00 H new ATOM 1248 N ILE A 88 -6.699 8.353 -2.982 1.00 0.00 N ATOM 1249 CA ILE A 88 -7.976 9.051 -2.897 1.00 0.00 C ATOM 1250 C ILE A 88 -8.019 9.973 -1.684 1.00 0.00 C ATOM 1251 O ILE A 88 -8.534 11.088 -1.757 1.00 0.00 O ATOM 1252 CB ILE A 88 -9.154 8.061 -2.818 1.00 0.00 C ATOM 1253 CG1 ILE A 88 -9.232 7.224 -4.096 1.00 0.00 C ATOM 1254 CG2 ILE A 88 -10.459 8.808 -2.586 1.00 0.00 C ATOM 1255 CD1 ILE A 88 -10.013 5.939 -3.930 1.00 0.00 C ATOM 0 H ILE A 88 -6.774 7.336 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.072 9.646 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.989 7.389 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.692 7.820 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.221 6.985 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -11.282 8.095 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -10.399 9.364 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -10.633 9.501 -3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -10.027 5.397 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -9.541 5.322 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.035 6.171 -3.629 1.00 0.00 H new ATOM 1267 N ASN A 89 -7.472 9.500 -0.568 1.00 0.00 N ATOM 1268 CA ASN A 89 -7.447 10.284 0.662 1.00 0.00 C ATOM 1269 C ASN A 89 -8.862 10.557 1.162 1.00 0.00 C ATOM 1270 O ASN A 89 -9.197 11.685 1.522 1.00 0.00 O ATOM 1271 CB ASN A 89 -6.710 11.605 0.434 1.00 0.00 C ATOM 1272 CG ASN A 89 -5.250 11.400 0.079 1.00 0.00 C ATOM 1273 OD1 ASN A 89 -4.733 10.285 0.154 1.00 0.00 O ATOM 1274 ND2 ASN A 89 -4.579 12.477 -0.310 1.00 0.00 N ATOM 0 H ASN A 89 -7.041 8.579 -0.490 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.918 9.707 1.421 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.201 12.158 -0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.780 12.217 1.334 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.594 12.401 -0.562 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.049 13.381 -0.357 1.00 0.00 H new ATOM 1281 N SER A 90 -9.688 9.515 1.182 1.00 0.00 N ATOM 1282 CA SER A 90 -11.068 9.643 1.635 1.00 0.00 C ATOM 1283 C SER A 90 -11.246 9.020 3.016 1.00 0.00 C ATOM 1284 O SER A 90 -10.883 7.866 3.241 1.00 0.00 O ATOM 1285 CB SER A 90 -12.019 8.979 0.637 1.00 0.00 C ATOM 1286 OG SER A 90 -11.750 7.592 0.523 1.00 0.00 O ATOM 0 H SER A 90 -9.425 8.574 0.890 1.00 0.00 H new ATOM 0 HA SER A 90 -11.306 10.705 1.701 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.050 9.128 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.917 9.454 -0.339 1.00 0.00 H new ATOM 0 HG SER A 90 -11.415 7.252 1.379 1.00 0.00 H new ATOM 1292 N GLY A 91 -11.809 9.794 3.940 1.00 0.00 N ATOM 1293 CA GLY A 91 -12.026 9.302 5.288 1.00 0.00 C ATOM 1294 C GLY A 91 -13.387 9.686 5.833 1.00 0.00 C ATOM 1295 O GLY A 91 -13.990 10.675 5.416 1.00 0.00 O ATOM 0 H GLY A 91 -12.118 10.752 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.928 8.216 5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.251 9.696 5.945 1.00 0.00 H new ATOM 1299 N PRO A 92 -13.892 8.891 6.788 1.00 0.00 N ATOM 1300 CA PRO A 92 -15.197 9.132 7.411 1.00 0.00 C ATOM 1301 C PRO A 92 -15.193 10.368 8.305 1.00 0.00 C ATOM 1302 O PRO A 92 -14.188 10.679 8.945 1.00 0.00 O ATOM 1303 CB PRO A 92 -15.431 7.870 8.244 1.00 0.00 C ATOM 1304 CG PRO A 92 -14.066 7.348 8.533 1.00 0.00 C ATOM 1305 CD PRO A 92 -13.228 7.695 7.334 1.00 0.00 C ATOM 0 HA PRO A 92 -15.974 9.320 6.670 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.971 8.097 9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -16.027 7.139 7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.659 7.800 9.438 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.087 6.270 8.696 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -12.194 7.901 7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -13.207 6.881 6.609 1.00 0.00 H new ATOM 1313 N SER A 93 -16.322 11.068 8.344 1.00 0.00 N ATOM 1314 CA SER A 93 -16.447 12.272 9.157 1.00 0.00 C ATOM 1315 C SER A 93 -17.914 12.608 9.408 1.00 0.00 C ATOM 1316 O SER A 93 -18.787 12.256 8.614 1.00 0.00 O ATOM 1317 CB SER A 93 -15.752 13.450 8.472 1.00 0.00 C ATOM 1318 OG SER A 93 -15.250 14.370 9.426 1.00 0.00 O ATOM 0 H SER A 93 -17.163 10.822 7.822 1.00 0.00 H new ATOM 0 HA SER A 93 -15.966 12.084 10.117 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.935 13.083 7.851 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.454 13.955 7.809 1.00 0.00 H new ATOM 0 HG SER A 93 -14.809 15.113 8.963 1.00 0.00 H new ATOM 1324 N SER A 94 -18.177 13.291 10.517 1.00 0.00 N ATOM 1325 CA SER A 94 -19.538 13.673 10.875 1.00 0.00 C ATOM 1326 C SER A 94 -19.585 15.114 11.373 1.00 0.00 C ATOM 1327 O SER A 94 -19.039 15.437 12.428 1.00 0.00 O ATOM 1328 CB SER A 94 -20.088 12.732 11.949 1.00 0.00 C ATOM 1329 OG SER A 94 -21.446 13.021 12.234 1.00 0.00 O ATOM 0 H SER A 94 -17.466 13.591 11.183 1.00 0.00 H new ATOM 0 HA SER A 94 -20.158 13.596 9.982 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.995 11.699 11.614 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.494 12.826 12.858 1.00 0.00 H new ATOM 0 HG SER A 94 -21.774 12.405 12.922 1.00 0.00 H new ATOM 1335 N GLY A 95 -20.243 15.978 10.606 1.00 0.00 N ATOM 1336 CA GLY A 95 -20.350 17.375 10.984 1.00 0.00 C ATOM 1337 C GLY A 95 -19.063 17.916 11.575 1.00 0.00 C ATOM 1338 O GLY A 95 -18.290 18.544 10.853 1.00 0.00 O ATOM 0 H GLY A 95 -20.704 15.735 9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.620 17.965 10.109 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -21.156 17.491 11.708 1.00 0.00 H new TER 1342 GLY A 95 HETATM 1343 ZN ZN A 201 -7.758 -11.387 5.039 1.00 0.00 ZN HETATM 1344 ZN ZN A 401 8.921 -1.336 1.194 1.00 0.00 ZN