USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 733 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 3 THR OG1 : rot 180:sc= -0.968 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 129:sc= 0.0182 USER MOD Single : A 10 GLN : amide:sc= -0.289 K(o=-0.29,f=-2.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.11 K(o=0.11,f=-7!) USER MOD Single : A 38 ASN : amide:sc= -2.61 K(o=-2.6,f=-5.7!) USER MOD Single : A 39 MET CE :methyl -178:sc= -2.63! (180deg=-2.65!) USER MOD Single : A 43 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.066) USER MOD Single : A 45 SER OG : rot 180:sc= -0.453 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -30:sc= -2.58! USER MOD Single : A 55 HIS : no HD1:sc= -0.86 K(o=-0.86,f=-0.057) USER MOD Single : A 63 SER OG : rot -152:sc= 1.05 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -116:sc= 0.997 (180deg=-0.238) USER MOD Single : A 73 CYS SG : rot 49:sc= 0.695 USER MOD Single : A 75 ASN : amide:sc= -0.042 X(o=-0.042,f=0.08) USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= -0.762 (180deg=-0.837) USER MOD Single : A 80 LYS NZ :NH3+ 178:sc= 0.192 (180deg=0.165) USER MOD Single : A 82 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.18) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.707 K(o=-0.71,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 4.856 -2.368 -3.786 1.00 0.00 N ATOM 28 CA THR A 3 6.013 -2.251 -4.664 1.00 0.00 C ATOM 29 C THR A 3 7.312 -2.275 -3.867 1.00 0.00 C ATOM 30 O THR A 3 7.384 -1.793 -2.737 1.00 0.00 O ATOM 31 CB THR A 3 5.958 -0.957 -5.497 1.00 0.00 C ATOM 32 OG1 THR A 3 7.246 -0.680 -6.058 1.00 0.00 O ATOM 33 CG2 THR A 3 5.509 0.218 -4.641 1.00 0.00 C ATOM 0 HA THR A 3 5.987 -3.108 -5.337 1.00 0.00 H new ATOM 0 HB THR A 3 5.235 -1.099 -6.301 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.202 0.144 -6.587 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.478 1.121 -5.250 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.516 0.017 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.211 0.359 -3.819 1.00 0.00 H new ATOM 41 N PRO A 4 8.366 -2.847 -4.469 1.00 0.00 N ATOM 42 CA PRO A 4 9.683 -2.946 -3.833 1.00 0.00 C ATOM 43 C PRO A 4 10.368 -1.590 -3.706 1.00 0.00 C ATOM 44 O PRO A 4 10.829 -1.215 -2.628 1.00 0.00 O ATOM 45 CB PRO A 4 10.468 -3.855 -4.782 1.00 0.00 C ATOM 46 CG PRO A 4 9.808 -3.680 -6.106 1.00 0.00 C ATOM 47 CD PRO A 4 8.352 -3.442 -5.815 1.00 0.00 C ATOM 0 HA PRO A 4 9.616 -3.327 -2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.519 -3.571 -4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.431 -4.894 -4.456 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.240 -2.839 -6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.942 -4.565 -6.729 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.901 -2.771 -6.546 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.781 -4.370 -5.838 1.00 0.00 H new ATOM 55 N ARG A 5 10.432 -0.858 -4.814 1.00 0.00 N ATOM 56 CA ARG A 5 11.062 0.457 -4.826 1.00 0.00 C ATOM 57 C ARG A 5 10.592 1.274 -6.026 1.00 0.00 C ATOM 58 O ARG A 5 10.064 0.726 -6.995 1.00 0.00 O ATOM 59 CB ARG A 5 12.585 0.316 -4.857 1.00 0.00 C ATOM 60 CG ARG A 5 13.217 0.234 -3.476 1.00 0.00 C ATOM 61 CD ARG A 5 13.794 -1.147 -3.209 1.00 0.00 C ATOM 62 NE ARG A 5 14.697 -1.150 -2.062 1.00 0.00 N ATOM 63 CZ ARG A 5 15.097 -2.256 -1.444 1.00 0.00 C ATOM 64 NH1 ARG A 5 14.676 -3.442 -1.862 1.00 0.00 N ATOM 65 NH2 ARG A 5 15.920 -2.177 -0.406 1.00 0.00 N ATOM 0 H ARG A 5 10.055 -1.153 -5.715 1.00 0.00 H new ATOM 0 HA ARG A 5 10.771 0.980 -3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.847 -0.579 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.009 1.166 -5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.005 0.982 -3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.470 0.470 -2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.981 -1.852 -3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.330 -1.493 -4.093 1.00 0.00 H new ATOM 0 HE ARG A 5 15.040 -0.254 -1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.044 -3.507 -2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.985 -4.290 -1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 5 16.246 -1.267 -0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.226 -3.027 0.068 1.00 0.00 H new ATOM 79 N PHE A 6 10.787 2.586 -5.955 1.00 0.00 N ATOM 80 CA PHE A 6 10.382 3.479 -7.034 1.00 0.00 C ATOM 81 C PHE A 6 10.900 4.894 -6.794 1.00 0.00 C ATOM 82 O PHE A 6 11.020 5.337 -5.651 1.00 0.00 O ATOM 83 CB PHE A 6 8.857 3.498 -7.164 1.00 0.00 C ATOM 84 CG PHE A 6 8.154 3.934 -5.911 1.00 0.00 C ATOM 85 CD1 PHE A 6 7.956 5.279 -5.644 1.00 0.00 C ATOM 86 CD2 PHE A 6 7.691 2.999 -4.999 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.309 5.684 -4.492 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.043 3.398 -3.845 1.00 0.00 C ATOM 89 CZ PHE A 6 6.853 4.742 -3.591 1.00 0.00 C ATOM 0 H PHE A 6 11.223 3.055 -5.161 1.00 0.00 H new ATOM 0 HA PHE A 6 10.815 3.105 -7.962 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.578 4.166 -7.979 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.511 2.501 -7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.312 6.020 -6.345 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.838 1.947 -5.192 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.160 6.736 -4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.686 2.659 -3.143 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.349 5.056 -2.689 1.00 0.00 H new ATOM 99 N SER A 7 11.207 5.598 -7.878 1.00 0.00 N ATOM 100 CA SER A 7 11.717 6.961 -7.786 1.00 0.00 C ATOM 101 C SER A 7 10.848 7.922 -8.592 1.00 0.00 C ATOM 102 O SER A 7 10.412 7.602 -9.698 1.00 0.00 O ATOM 103 CB SER A 7 13.162 7.022 -8.285 1.00 0.00 C ATOM 104 OG SER A 7 14.043 7.426 -7.251 1.00 0.00 O ATOM 0 H SER A 7 11.112 5.247 -8.831 1.00 0.00 H new ATOM 0 HA SER A 7 11.688 7.263 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.462 6.044 -8.661 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.232 7.719 -9.120 1.00 0.00 H new ATOM 0 HG SER A 7 14.960 7.455 -7.595 1.00 0.00 H new ATOM 110 N ILE A 8 10.601 9.099 -8.028 1.00 0.00 N ATOM 111 CA ILE A 8 9.785 10.108 -8.693 1.00 0.00 C ATOM 112 C ILE A 8 10.628 11.306 -9.116 1.00 0.00 C ATOM 113 O ILE A 8 11.547 11.715 -8.405 1.00 0.00 O ATOM 114 CB ILE A 8 8.641 10.594 -7.785 1.00 0.00 C ATOM 115 CG1 ILE A 8 7.977 9.408 -7.084 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.618 11.378 -8.595 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.841 9.806 -6.167 1.00 0.00 C ATOM 0 H ILE A 8 10.954 9.378 -7.112 1.00 0.00 H new ATOM 0 HA ILE A 8 9.359 9.636 -9.579 1.00 0.00 H new ATOM 0 HB ILE A 8 9.057 11.255 -7.024 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.600 8.716 -7.837 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.729 8.871 -6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.815 11.715 -7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.100 12.242 -9.052 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.205 10.739 -9.375 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.418 8.915 -5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.216 10.474 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.070 10.317 -6.744 1.00 0.00 H new ATOM 129 N THR A 9 10.309 11.867 -10.278 1.00 0.00 N ATOM 130 CA THR A 9 11.036 13.019 -10.796 1.00 0.00 C ATOM 131 C THR A 9 10.082 14.145 -11.178 1.00 0.00 C ATOM 132 O THR A 9 8.962 13.896 -11.623 1.00 0.00 O ATOM 133 CB THR A 9 11.885 12.641 -12.025 1.00 0.00 C ATOM 134 OG1 THR A 9 12.549 11.393 -11.797 1.00 0.00 O ATOM 135 CG2 THR A 9 12.913 13.722 -12.325 1.00 0.00 C ATOM 0 H THR A 9 9.551 11.542 -10.879 1.00 0.00 H new ATOM 0 HA THR A 9 11.696 13.361 -9.999 1.00 0.00 H new ATOM 0 HB THR A 9 11.220 12.546 -12.884 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.382 10.791 -12.552 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.501 13.433 -13.196 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.402 14.664 -12.527 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.573 13.844 -11.466 1.00 0.00 H new ATOM 143 N GLN A 10 10.534 15.382 -11.001 1.00 0.00 N ATOM 144 CA GLN A 10 9.719 16.546 -11.328 1.00 0.00 C ATOM 145 C GLN A 10 10.285 17.286 -12.536 1.00 0.00 C ATOM 146 O GLN A 10 11.501 17.364 -12.714 1.00 0.00 O ATOM 147 CB GLN A 10 9.638 17.492 -10.128 1.00 0.00 C ATOM 148 CG GLN A 10 9.688 16.778 -8.787 1.00 0.00 C ATOM 149 CD GLN A 10 11.087 16.725 -8.205 1.00 0.00 C ATOM 150 OE1 GLN A 10 12.077 16.822 -8.930 1.00 0.00 O ATOM 151 NE2 GLN A 10 11.175 16.571 -6.889 1.00 0.00 N ATOM 0 H GLN A 10 11.459 15.604 -10.633 1.00 0.00 H new ATOM 0 HA GLN A 10 8.716 16.197 -11.576 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.461 18.205 -10.182 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.714 18.066 -10.190 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.026 17.285 -8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.310 15.763 -8.906 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.327 16.495 -6.327 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.090 16.529 -6.441 1.00 0.00 H new ATOM 160 N ASP A 11 9.397 17.825 -13.363 1.00 0.00 N ATOM 161 CA ASP A 11 9.808 18.559 -14.554 1.00 0.00 C ATOM 162 C ASP A 11 9.058 19.884 -14.662 1.00 0.00 C ATOM 163 O ASP A 11 8.090 20.120 -13.941 1.00 0.00 O ATOM 164 CB ASP A 11 9.564 17.717 -15.807 1.00 0.00 C ATOM 165 CG ASP A 11 9.762 16.235 -15.556 1.00 0.00 C ATOM 166 OD1 ASP A 11 10.780 15.870 -14.931 1.00 0.00 O ATOM 167 OD2 ASP A 11 8.900 15.441 -15.985 1.00 0.00 O ATOM 0 H ASP A 11 8.387 17.768 -13.231 1.00 0.00 H new ATOM 0 HA ASP A 11 10.874 18.771 -14.470 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.549 17.889 -16.165 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.241 18.042 -16.597 1.00 0.00 H new ATOM 172 N GLU A 12 9.514 20.744 -15.567 1.00 0.00 N ATOM 173 CA GLU A 12 8.887 22.045 -15.768 1.00 0.00 C ATOM 174 C GLU A 12 7.734 21.946 -16.762 1.00 0.00 C ATOM 175 O GLU A 12 7.166 22.957 -17.171 1.00 0.00 O ATOM 176 CB GLU A 12 9.917 23.061 -16.265 1.00 0.00 C ATOM 177 CG GLU A 12 10.338 22.845 -17.709 1.00 0.00 C ATOM 178 CD GLU A 12 11.282 23.921 -18.209 1.00 0.00 C ATOM 179 OE1 GLU A 12 10.793 24.961 -18.696 1.00 0.00 O ATOM 180 OE2 GLU A 12 12.512 23.722 -18.112 1.00 0.00 O ATOM 0 H GLU A 12 10.315 20.563 -16.172 1.00 0.00 H new ATOM 0 HA GLU A 12 8.490 22.380 -14.810 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.504 24.064 -16.162 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.799 23.013 -15.627 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.821 21.872 -17.801 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.451 22.822 -18.342 1.00 0.00 H new ATOM 187 N GLU A 13 7.394 20.719 -17.145 1.00 0.00 N ATOM 188 CA GLU A 13 6.310 20.487 -18.092 1.00 0.00 C ATOM 189 C GLU A 13 5.311 19.474 -17.539 1.00 0.00 C ATOM 190 O GLU A 13 4.110 19.569 -17.791 1.00 0.00 O ATOM 191 CB GLU A 13 6.867 19.993 -19.429 1.00 0.00 C ATOM 192 CG GLU A 13 8.173 19.228 -19.298 1.00 0.00 C ATOM 193 CD GLU A 13 8.462 18.356 -20.504 1.00 0.00 C ATOM 194 OE1 GLU A 13 7.499 17.957 -21.193 1.00 0.00 O ATOM 195 OE2 GLU A 13 9.651 18.072 -20.760 1.00 0.00 O ATOM 0 H GLU A 13 7.854 19.871 -16.814 1.00 0.00 H new ATOM 0 HA GLU A 13 5.792 21.433 -18.250 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.126 19.352 -19.907 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.021 20.848 -20.087 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.991 19.935 -19.161 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.137 18.605 -18.404 1.00 0.00 H new ATOM 202 N PHE A 14 5.818 18.505 -16.784 1.00 0.00 N ATOM 203 CA PHE A 14 4.972 17.473 -16.196 1.00 0.00 C ATOM 204 C PHE A 14 5.747 16.656 -15.167 1.00 0.00 C ATOM 205 O PHE A 14 6.896 16.965 -14.851 1.00 0.00 O ATOM 206 CB PHE A 14 4.422 16.552 -17.287 1.00 0.00 C ATOM 207 CG PHE A 14 5.465 15.663 -17.902 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.521 16.205 -18.617 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.389 14.286 -17.767 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.483 15.390 -19.185 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.347 13.467 -18.332 1.00 0.00 C ATOM 212 CZ PHE A 14 7.395 14.019 -19.043 1.00 0.00 C ATOM 0 H PHE A 14 6.810 18.413 -16.565 1.00 0.00 H new ATOM 0 HA PHE A 14 4.140 17.964 -15.692 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.631 15.932 -16.864 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.967 17.160 -18.069 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.594 17.276 -18.732 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.571 13.848 -17.214 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.302 15.825 -19.739 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.277 12.395 -18.218 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.144 13.380 -19.487 1.00 0.00 H new ATOM 222 N ILE A 15 5.109 15.612 -14.647 1.00 0.00 N ATOM 223 CA ILE A 15 5.738 14.750 -13.654 1.00 0.00 C ATOM 224 C ILE A 15 6.134 13.409 -14.263 1.00 0.00 C ATOM 225 O ILE A 15 5.420 12.861 -15.102 1.00 0.00 O ATOM 226 CB ILE A 15 4.806 14.501 -12.454 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.866 15.679 -11.480 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.184 13.206 -11.750 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.209 15.835 -10.802 1.00 0.00 C ATOM 0 H ILE A 15 4.157 15.343 -14.897 1.00 0.00 H new ATOM 0 HA ILE A 15 6.633 15.268 -13.307 1.00 0.00 H new ATOM 0 HB ILE A 15 3.784 14.409 -12.820 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.631 16.597 -12.018 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.097 15.550 -10.719 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.516 13.044 -10.904 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.095 12.373 -12.448 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.212 13.272 -11.394 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.178 16.690 -10.126 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.438 14.932 -10.236 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.980 15.996 -11.555 1.00 0.00 H new ATOM 241 N PHE A 16 7.277 12.885 -13.833 1.00 0.00 N ATOM 242 CA PHE A 16 7.769 11.607 -14.335 1.00 0.00 C ATOM 243 C PHE A 16 8.023 10.634 -13.188 1.00 0.00 C ATOM 244 O PHE A 16 9.053 10.704 -12.516 1.00 0.00 O ATOM 245 CB PHE A 16 9.054 11.812 -15.140 1.00 0.00 C ATOM 246 CG PHE A 16 9.872 10.561 -15.291 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.298 9.396 -15.774 1.00 0.00 C ATOM 248 CD2 PHE A 16 11.215 10.550 -14.950 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.048 8.244 -15.915 1.00 0.00 C ATOM 250 CE2 PHE A 16 11.970 9.401 -15.089 1.00 0.00 C ATOM 251 CZ PHE A 16 11.385 8.246 -15.571 1.00 0.00 C ATOM 0 H PHE A 16 7.880 13.325 -13.138 1.00 0.00 H new ATOM 0 HA PHE A 16 7.005 11.182 -14.986 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.797 12.190 -16.129 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.660 12.577 -14.654 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.252 9.388 -16.043 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.677 11.450 -14.571 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.589 7.343 -16.294 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.016 9.406 -14.821 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.973 7.346 -15.679 1.00 0.00 H new ATOM 261 N LEU A 17 7.077 9.727 -12.969 1.00 0.00 N ATOM 262 CA LEU A 17 7.197 8.739 -11.902 1.00 0.00 C ATOM 263 C LEU A 17 7.792 7.437 -12.431 1.00 0.00 C ATOM 264 O LEU A 17 7.265 6.836 -13.368 1.00 0.00 O ATOM 265 CB LEU A 17 5.829 8.470 -11.274 1.00 0.00 C ATOM 266 CG LEU A 17 5.650 7.101 -10.616 1.00 0.00 C ATOM 267 CD1 LEU A 17 6.591 6.951 -9.431 1.00 0.00 C ATOM 268 CD2 LEU A 17 4.205 6.903 -10.181 1.00 0.00 C ATOM 0 H LEU A 17 6.219 9.655 -13.516 1.00 0.00 H new ATOM 0 HA LEU A 17 7.866 9.140 -11.141 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.638 9.239 -10.525 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.068 8.582 -12.047 1.00 0.00 H new ATOM 0 HG LEU A 17 5.896 6.332 -11.348 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.449 5.971 -8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.622 7.048 -9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.377 7.727 -8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.096 5.924 -9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.931 7.678 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.551 6.965 -11.051 1.00 0.00 H new ATOM 280 N LYS A 18 8.891 7.005 -11.822 1.00 0.00 N ATOM 281 CA LYS A 18 9.556 5.773 -12.228 1.00 0.00 C ATOM 282 C LYS A 18 9.391 4.690 -11.166 1.00 0.00 C ATOM 283 O LYS A 18 9.533 4.954 -9.971 1.00 0.00 O ATOM 284 CB LYS A 18 11.043 6.031 -12.481 1.00 0.00 C ATOM 285 CG LYS A 18 11.866 4.762 -12.622 1.00 0.00 C ATOM 286 CD LYS A 18 13.249 5.053 -13.181 1.00 0.00 C ATOM 287 CE LYS A 18 13.999 6.056 -12.319 1.00 0.00 C ATOM 288 NZ LYS A 18 15.472 5.841 -12.372 1.00 0.00 N ATOM 0 H LYS A 18 9.340 7.490 -11.045 1.00 0.00 H new ATOM 0 HA LYS A 18 9.091 5.426 -13.151 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.151 6.626 -13.388 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.445 6.625 -11.660 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.960 4.278 -11.650 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.348 4.062 -13.277 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.820 4.126 -13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.158 5.440 -14.196 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.767 7.067 -12.654 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.657 5.975 -11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.947 6.545 -11.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.696 4.885 -12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.803 5.943 -13.353 1.00 0.00 H new ATOM 302 N ILE A 19 9.093 3.474 -11.609 1.00 0.00 N ATOM 303 CA ILE A 19 8.912 2.352 -10.696 1.00 0.00 C ATOM 304 C ILE A 19 9.859 1.206 -11.038 1.00 0.00 C ATOM 305 O ILE A 19 10.155 0.959 -12.207 1.00 0.00 O ATOM 306 CB ILE A 19 7.463 1.831 -10.724 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.482 2.974 -10.451 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.281 0.715 -9.707 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.883 3.568 -11.706 1.00 0.00 C ATOM 0 H ILE A 19 8.972 3.240 -12.594 1.00 0.00 H new ATOM 0 HA ILE A 19 9.138 2.721 -9.695 1.00 0.00 H new ATOM 0 HB ILE A 19 7.256 1.429 -11.716 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.678 2.607 -9.813 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.996 3.759 -9.897 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.252 0.358 -9.739 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.958 -0.106 -9.943 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.503 1.093 -8.709 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.198 4.372 -11.437 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.679 3.965 -12.336 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.340 2.796 -12.251 1.00 0.00 H new ATOM 321 N PHE A 20 10.330 0.508 -10.010 1.00 0.00 N ATOM 322 CA PHE A 20 11.242 -0.613 -10.201 1.00 0.00 C ATOM 323 C PHE A 20 10.519 -1.942 -10.006 1.00 0.00 C ATOM 324 O PHE A 20 9.798 -2.130 -9.025 1.00 0.00 O ATOM 325 CB PHE A 20 12.419 -0.512 -9.228 1.00 0.00 C ATOM 326 CG PHE A 20 13.114 0.820 -9.264 1.00 0.00 C ATOM 327 CD1 PHE A 20 13.197 1.541 -10.444 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.682 1.350 -8.117 1.00 0.00 C ATOM 329 CE1 PHE A 20 13.836 2.766 -10.480 1.00 0.00 C ATOM 330 CE2 PHE A 20 14.322 2.575 -8.147 1.00 0.00 C ATOM 331 CZ PHE A 20 14.398 3.284 -9.329 1.00 0.00 C ATOM 0 H PHE A 20 10.095 0.699 -9.036 1.00 0.00 H new ATOM 0 HA PHE A 20 11.620 -0.572 -11.223 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.060 -0.698 -8.216 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.140 -1.296 -9.460 1.00 0.00 H new ATOM 0 HD1 PHE A 20 12.757 1.141 -11.346 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.624 0.800 -7.189 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.896 3.318 -11.407 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.762 2.977 -7.246 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.896 4.242 -9.354 1.00 0.00 H new ATOM 341 N ILE A 21 10.717 -2.860 -10.945 1.00 0.00 N ATOM 342 CA ILE A 21 10.085 -4.172 -10.877 1.00 0.00 C ATOM 343 C ILE A 21 11.040 -5.267 -11.338 1.00 0.00 C ATOM 344 O ILE A 21 12.137 -4.986 -11.822 1.00 0.00 O ATOM 345 CB ILE A 21 8.807 -4.226 -11.735 1.00 0.00 C ATOM 346 CG1 ILE A 21 9.151 -4.035 -13.213 1.00 0.00 C ATOM 347 CG2 ILE A 21 7.815 -3.169 -11.275 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.964 -4.199 -14.136 1.00 0.00 C ATOM 0 H ILE A 21 11.310 -2.720 -11.763 1.00 0.00 H new ATOM 0 HA ILE A 21 9.820 -4.341 -9.833 1.00 0.00 H new ATOM 0 HB ILE A 21 8.346 -5.206 -11.613 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.575 -3.041 -13.353 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.921 -4.753 -13.494 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.917 -3.220 -11.891 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.550 -3.347 -10.233 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.265 -2.181 -11.371 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.282 -4.050 -15.168 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.552 -5.202 -14.025 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.201 -3.463 -13.882 1.00 0.00 H new ATOM 492 N LEU A 31 -2.707 -3.504 -16.582 1.00 0.00 N ATOM 493 CA LEU A 31 -1.958 -2.254 -16.628 1.00 0.00 C ATOM 494 C LEU A 31 -2.872 -1.083 -16.971 1.00 0.00 C ATOM 495 O LEU A 31 -3.455 -1.034 -18.053 1.00 0.00 O ATOM 496 CB LEU A 31 -0.828 -2.351 -17.655 1.00 0.00 C ATOM 497 CG LEU A 31 -0.147 -3.715 -17.777 1.00 0.00 C ATOM 498 CD1 LEU A 31 1.070 -3.624 -18.684 1.00 0.00 C ATOM 499 CD2 LEU A 31 0.246 -4.239 -16.403 1.00 0.00 C ATOM 0 HA LEU A 31 -1.530 -2.080 -15.641 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.227 -2.078 -18.632 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.070 -1.610 -17.402 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.854 -4.415 -18.222 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.542 -4.604 -18.759 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.761 -3.293 -19.676 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.781 -2.910 -18.268 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.729 -5.210 -16.509 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.936 -3.540 -15.931 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.645 -4.343 -15.784 1.00 0.00 H new ATOM 511 N GLU A 32 -2.992 -0.140 -16.041 1.00 0.00 N ATOM 512 CA GLU A 32 -3.835 1.032 -16.246 1.00 0.00 C ATOM 513 C GLU A 32 -3.722 1.997 -15.069 1.00 0.00 C ATOM 514 O GLU A 32 -4.558 1.990 -14.165 1.00 0.00 O ATOM 515 CB GLU A 32 -5.294 0.611 -16.436 1.00 0.00 C ATOM 516 CG GLU A 32 -6.246 1.781 -16.615 1.00 0.00 C ATOM 517 CD GLU A 32 -6.098 2.454 -17.965 1.00 0.00 C ATOM 518 OE1 GLU A 32 -6.733 1.987 -18.933 1.00 0.00 O ATOM 519 OE2 GLU A 32 -5.346 3.448 -18.054 1.00 0.00 O ATOM 0 H GLU A 32 -2.516 -0.165 -15.139 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.491 1.542 -17.146 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.365 -0.041 -17.307 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.610 0.025 -15.573 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.272 1.431 -16.499 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.068 2.513 -15.827 1.00 0.00 H new ATOM 526 N ILE A 33 -2.682 2.824 -15.088 1.00 0.00 N ATOM 527 CA ILE A 33 -2.460 3.795 -14.023 1.00 0.00 C ATOM 528 C ILE A 33 -3.347 5.022 -14.204 1.00 0.00 C ATOM 529 O ILE A 33 -3.416 5.595 -15.291 1.00 0.00 O ATOM 530 CB ILE A 33 -0.987 4.243 -13.969 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.072 3.037 -13.743 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.789 5.278 -12.871 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.400 3.378 -13.798 1.00 0.00 C ATOM 0 H ILE A 33 -1.980 2.841 -15.828 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.716 3.300 -13.086 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.726 4.699 -14.924 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.299 2.596 -12.772 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.290 2.280 -14.496 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.257 5.585 -12.845 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.417 6.146 -13.071 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.064 4.845 -11.909 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.989 2.476 -13.630 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.641 3.791 -14.777 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.632 4.112 -13.027 1.00 0.00 H new ATOM 545 N ILE A 34 -4.021 5.420 -13.131 1.00 0.00 N ATOM 546 CA ILE A 34 -4.902 6.581 -13.170 1.00 0.00 C ATOM 547 C ILE A 34 -4.544 7.580 -12.074 1.00 0.00 C ATOM 548 O ILE A 34 -4.009 7.205 -11.030 1.00 0.00 O ATOM 549 CB ILE A 34 -6.379 6.174 -13.015 1.00 0.00 C ATOM 550 CG1 ILE A 34 -6.653 5.703 -11.586 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.735 5.084 -14.016 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.448 6.694 -10.765 1.00 0.00 C ATOM 0 H ILE A 34 -3.974 4.956 -12.224 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.763 7.049 -14.145 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.004 7.044 -13.217 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.193 4.757 -11.621 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.703 5.510 -11.087 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.782 4.806 -13.895 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.572 5.453 -15.029 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.106 4.211 -13.842 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.605 6.294 -9.763 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.900 7.634 -10.699 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.413 6.869 -11.241 1.00 0.00 H new ATOM 564 N ILE A 35 -4.844 8.851 -12.319 1.00 0.00 N ATOM 565 CA ILE A 35 -4.557 9.903 -11.351 1.00 0.00 C ATOM 566 C ILE A 35 -5.841 10.455 -10.742 1.00 0.00 C ATOM 567 O ILE A 35 -6.771 10.823 -11.460 1.00 0.00 O ATOM 568 CB ILE A 35 -3.768 11.059 -11.994 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.481 10.534 -12.634 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.454 12.127 -10.957 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.517 10.526 -14.146 1.00 0.00 C ATOM 0 H ILE A 35 -5.285 9.177 -13.179 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.950 9.452 -10.566 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.382 11.508 -12.775 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.643 11.147 -12.302 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.295 9.521 -12.278 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.896 12.937 -11.427 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.384 12.518 -10.544 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.857 11.692 -10.156 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.572 10.142 -14.530 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.333 9.889 -14.487 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.672 11.541 -14.512 1.00 0.00 H new ATOM 583 N GLN A 36 -5.884 10.511 -9.415 1.00 0.00 N ATOM 584 CA GLN A 36 -7.054 11.020 -8.710 1.00 0.00 C ATOM 585 C GLN A 36 -7.148 12.537 -8.835 1.00 0.00 C ATOM 586 O GLN A 36 -6.417 13.151 -9.612 1.00 0.00 O ATOM 587 CB GLN A 36 -7.000 10.621 -7.234 1.00 0.00 C ATOM 588 CG GLN A 36 -8.182 9.775 -6.789 1.00 0.00 C ATOM 589 CD GLN A 36 -9.511 10.343 -7.246 1.00 0.00 C ATOM 590 OE1 GLN A 36 -9.880 11.460 -6.882 1.00 0.00 O ATOM 591 NE2 GLN A 36 -10.239 9.575 -8.049 1.00 0.00 N ATOM 0 H GLN A 36 -5.122 10.210 -8.807 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.941 10.580 -9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.079 10.069 -7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.959 11.523 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.069 8.764 -7.182 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.179 9.697 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.895 8.656 -8.326 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.142 9.905 -8.389 1.00 0.00 H new ATOM 600 N GLU A 37 -8.053 13.134 -8.066 1.00 0.00 N ATOM 601 CA GLU A 37 -8.243 14.580 -8.093 1.00 0.00 C ATOM 602 C GLU A 37 -6.915 15.307 -7.901 1.00 0.00 C ATOM 603 O GLU A 37 -6.695 16.378 -8.465 1.00 0.00 O ATOM 604 CB GLU A 37 -9.232 15.007 -7.007 1.00 0.00 C ATOM 605 CG GLU A 37 -9.003 14.321 -5.671 1.00 0.00 C ATOM 606 CD GLU A 37 -9.347 15.210 -4.492 1.00 0.00 C ATOM 607 OE1 GLU A 37 -9.954 16.279 -4.713 1.00 0.00 O ATOM 608 OE2 GLU A 37 -9.009 14.838 -3.349 1.00 0.00 O ATOM 0 H GLU A 37 -8.666 12.640 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.647 14.849 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.163 16.086 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.246 14.794 -7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.605 13.414 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.959 14.015 -5.598 1.00 0.00 H new ATOM 615 N ASN A 38 -6.034 14.715 -7.101 1.00 0.00 N ATOM 616 CA ASN A 38 -4.728 15.306 -6.833 1.00 0.00 C ATOM 617 C ASN A 38 -3.652 14.228 -6.737 1.00 0.00 C ATOM 618 O ASN A 38 -2.606 14.321 -7.378 1.00 0.00 O ATOM 619 CB ASN A 38 -4.769 16.119 -5.538 1.00 0.00 C ATOM 620 CG ASN A 38 -5.304 15.316 -4.368 1.00 0.00 C ATOM 621 OD1 ASN A 38 -6.515 15.173 -4.202 1.00 0.00 O ATOM 622 ND2 ASN A 38 -4.401 14.788 -3.550 1.00 0.00 N ATOM 0 H ASN A 38 -6.201 13.827 -6.627 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.480 15.969 -7.662 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.766 16.474 -5.303 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.393 17.001 -5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.702 14.238 -2.745 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.407 14.932 -3.726 1.00 0.00 H new ATOM 629 N MET A 39 -3.918 13.205 -5.931 1.00 0.00 N ATOM 630 CA MET A 39 -2.974 12.108 -5.752 1.00 0.00 C ATOM 631 C MET A 39 -2.967 11.193 -6.972 1.00 0.00 C ATOM 632 O MET A 39 -3.777 11.354 -7.885 1.00 0.00 O ATOM 633 CB MET A 39 -3.326 11.304 -4.498 1.00 0.00 C ATOM 634 CG MET A 39 -4.126 10.045 -4.788 1.00 0.00 C ATOM 635 SD MET A 39 -5.068 9.476 -3.360 1.00 0.00 S ATOM 636 CE MET A 39 -3.767 9.314 -2.140 1.00 0.00 C ATOM 0 H MET A 39 -4.779 13.113 -5.392 1.00 0.00 H new ATOM 0 HA MET A 39 -1.978 12.534 -5.634 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.406 11.029 -3.982 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.895 11.938 -3.818 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.809 10.236 -5.616 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.448 9.254 -5.110 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.187 8.935 -1.208 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.010 8.620 -2.506 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.311 10.288 -1.963 1.00 0.00 H new ATOM 646 N ILE A 40 -2.048 10.233 -6.980 1.00 0.00 N ATOM 647 CA ILE A 40 -1.937 9.292 -8.088 1.00 0.00 C ATOM 648 C ILE A 40 -2.153 7.858 -7.615 1.00 0.00 C ATOM 649 O ILE A 40 -1.630 7.451 -6.577 1.00 0.00 O ATOM 650 CB ILE A 40 -0.563 9.392 -8.776 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.394 10.766 -9.428 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.405 8.286 -9.809 1.00 0.00 C ATOM 653 CD1 ILE A 40 0.939 10.946 -10.121 1.00 0.00 C ATOM 0 H ILE A 40 -1.370 10.086 -6.232 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.714 9.556 -8.806 1.00 0.00 H new ATOM 0 HB ILE A 40 0.214 9.270 -8.022 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.194 10.916 -10.153 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.505 11.537 -8.666 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.571 8.371 -10.286 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.486 7.316 -9.319 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.187 8.378 -10.563 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.989 11.942 -10.560 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.745 10.828 -9.396 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.045 10.198 -10.906 1.00 0.00 H new ATOM 665 N ILE A 41 -2.925 7.098 -8.384 1.00 0.00 N ATOM 666 CA ILE A 41 -3.207 5.708 -8.045 1.00 0.00 C ATOM 667 C ILE A 41 -2.479 4.754 -8.986 1.00 0.00 C ATOM 668 O ILE A 41 -2.681 4.787 -10.200 1.00 0.00 O ATOM 669 CB ILE A 41 -4.717 5.412 -8.100 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.474 6.326 -7.134 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.982 3.950 -7.771 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.995 6.222 -5.703 1.00 0.00 C ATOM 0 H ILE A 41 -3.366 7.421 -9.245 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.851 5.552 -7.027 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.074 5.608 -9.111 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.372 7.358 -7.468 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.536 6.082 -7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.054 3.756 -7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.469 3.316 -8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.613 3.730 -6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.576 6.897 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.122 5.199 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.941 6.495 -5.651 1.00 0.00 H new ATOM 684 N PHE A 42 -1.631 3.903 -8.417 1.00 0.00 N ATOM 685 CA PHE A 42 -0.873 2.938 -9.205 1.00 0.00 C ATOM 686 C PHE A 42 -1.543 1.568 -9.177 1.00 0.00 C ATOM 687 O PHE A 42 -1.494 0.860 -8.170 1.00 0.00 O ATOM 688 CB PHE A 42 0.559 2.829 -8.676 1.00 0.00 C ATOM 689 CG PHE A 42 1.391 1.814 -9.405 1.00 0.00 C ATOM 690 CD1 PHE A 42 1.980 2.125 -10.620 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.585 0.548 -8.876 1.00 0.00 C ATOM 692 CE1 PHE A 42 2.748 1.193 -11.293 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.351 -0.387 -9.544 1.00 0.00 C ATOM 694 CZ PHE A 42 2.932 -0.065 -10.755 1.00 0.00 C ATOM 0 H PHE A 42 -1.452 3.862 -7.414 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.846 3.289 -10.237 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.041 3.804 -8.751 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.528 2.570 -7.618 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.837 3.107 -11.046 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.132 0.290 -7.930 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.203 1.449 -12.238 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.496 -1.370 -9.120 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.529 -0.796 -11.280 1.00 0.00 H new ATOM 704 N HIS A 43 -2.169 1.199 -10.291 1.00 0.00 N ATOM 705 CA HIS A 43 -2.849 -0.087 -10.395 1.00 0.00 C ATOM 706 C HIS A 43 -2.037 -1.064 -11.239 1.00 0.00 C ATOM 707 O HIS A 43 -2.248 -2.276 -11.180 1.00 0.00 O ATOM 708 CB HIS A 43 -4.240 0.097 -11.003 1.00 0.00 C ATOM 709 CG HIS A 43 -5.286 -0.774 -10.378 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.637 -0.608 -10.603 1.00 0.00 N ATOM 711 CD2 HIS A 43 -5.174 -1.825 -9.533 1.00 0.00 C ATOM 712 CE1 HIS A 43 -7.310 -1.518 -9.922 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.445 -2.270 -9.264 1.00 0.00 N ATOM 0 H HIS A 43 -2.219 1.772 -11.133 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.951 -0.500 -9.391 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.538 1.140 -10.899 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.192 -0.116 -12.071 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.255 -2.237 -9.143 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.384 -1.629 -9.906 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.683 -3.053 -8.655 1.00 0.00 H new ATOM 721 N LEU A 44 -1.109 -0.529 -12.025 1.00 0.00 N ATOM 722 CA LEU A 44 -0.265 -1.354 -12.882 1.00 0.00 C ATOM 723 C LEU A 44 0.440 -2.438 -12.073 1.00 0.00 C ATOM 724 O LEU A 44 0.622 -2.303 -10.863 1.00 0.00 O ATOM 725 CB LEU A 44 0.769 -0.486 -13.602 1.00 0.00 C ATOM 726 CG LEU A 44 1.183 -0.953 -14.998 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.499 0.239 -15.888 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.380 -1.890 -14.913 1.00 0.00 C ATOM 0 H LEU A 44 -0.922 0.472 -12.086 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.904 -1.836 -13.622 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.372 0.526 -13.682 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.662 -0.429 -12.980 1.00 0.00 H new ATOM 0 HG LEU A 44 0.350 -1.499 -15.440 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.792 -0.113 -16.877 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.616 0.872 -15.975 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.316 0.813 -15.451 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.661 -2.213 -15.915 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.218 -1.368 -14.451 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.119 -2.761 -14.312 1.00 0.00 H new ATOM 740 N SER A 45 0.838 -3.511 -12.749 1.00 0.00 N ATOM 741 CA SER A 45 1.522 -4.618 -12.092 1.00 0.00 C ATOM 742 C SER A 45 0.615 -5.282 -11.060 1.00 0.00 C ATOM 743 O SER A 45 -0.428 -4.750 -10.679 1.00 0.00 O ATOM 744 CB SER A 45 2.804 -4.126 -11.419 1.00 0.00 C ATOM 745 OG SER A 45 3.952 -4.670 -12.048 1.00 0.00 O ATOM 0 H SER A 45 0.698 -3.637 -13.752 1.00 0.00 H new ATOM 0 HA SER A 45 1.779 -5.356 -12.852 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.845 -3.038 -11.459 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.796 -4.406 -10.366 1.00 0.00 H new ATOM 0 HG SER A 45 4.758 -4.339 -11.600 1.00 0.00 H new ATOM 751 N PRO A 46 1.020 -6.473 -10.597 1.00 0.00 N ATOM 752 CA PRO A 46 0.259 -7.236 -9.603 1.00 0.00 C ATOM 753 C PRO A 46 0.285 -6.582 -8.226 1.00 0.00 C ATOM 754 O PRO A 46 -0.387 -7.036 -7.299 1.00 0.00 O ATOM 755 CB PRO A 46 0.978 -8.587 -9.566 1.00 0.00 C ATOM 756 CG PRO A 46 2.368 -8.289 -10.012 1.00 0.00 C ATOM 757 CD PRO A 46 2.252 -7.167 -11.007 1.00 0.00 C ATOM 0 HA PRO A 46 -0.797 -7.306 -9.865 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.967 -9.014 -8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.497 -9.310 -10.225 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.995 -7.999 -9.169 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.829 -9.167 -10.465 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.117 -6.505 -10.969 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.181 -7.541 -12.028 1.00 0.00 H new ATOM 765 N TYR A 47 1.064 -5.514 -8.098 1.00 0.00 N ATOM 766 CA TYR A 47 1.179 -4.798 -6.833 1.00 0.00 C ATOM 767 C TYR A 47 0.550 -3.412 -6.932 1.00 0.00 C ATOM 768 O TYR A 47 0.857 -2.643 -7.844 1.00 0.00 O ATOM 769 CB TYR A 47 2.647 -4.676 -6.423 1.00 0.00 C ATOM 770 CG TYR A 47 3.386 -5.995 -6.418 1.00 0.00 C ATOM 771 CD1 TYR A 47 2.795 -7.143 -5.903 1.00 0.00 C ATOM 772 CD2 TYR A 47 4.675 -6.095 -6.927 1.00 0.00 C ATOM 773 CE1 TYR A 47 3.467 -8.350 -5.895 1.00 0.00 C ATOM 774 CE2 TYR A 47 5.353 -7.298 -6.925 1.00 0.00 C ATOM 775 CZ TYR A 47 4.745 -8.423 -6.408 1.00 0.00 C ATOM 776 OH TYR A 47 5.418 -9.623 -6.403 1.00 0.00 O ATOM 0 H TYR A 47 1.626 -5.125 -8.855 1.00 0.00 H new ATOM 0 HA TYR A 47 0.643 -5.367 -6.073 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.150 -3.990 -7.104 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.702 -4.234 -5.428 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.793 -7.090 -5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.155 -5.216 -7.331 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.994 -9.232 -5.489 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.354 -7.358 -7.326 1.00 0.00 H new ATOM 0 HH TYR A 47 6.305 -9.502 -6.801 1.00 0.00 H new ATOM 786 N TYR A 48 -0.331 -3.100 -5.988 1.00 0.00 N ATOM 787 CA TYR A 48 -1.005 -1.807 -5.969 1.00 0.00 C ATOM 788 C TYR A 48 -0.268 -0.822 -5.067 1.00 0.00 C ATOM 789 O TYR A 48 0.077 -1.142 -3.929 1.00 0.00 O ATOM 790 CB TYR A 48 -2.450 -1.969 -5.494 1.00 0.00 C ATOM 791 CG TYR A 48 -3.190 -0.658 -5.350 1.00 0.00 C ATOM 792 CD1 TYR A 48 -3.085 0.097 -4.188 1.00 0.00 C ATOM 793 CD2 TYR A 48 -3.995 -0.176 -6.374 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.760 1.294 -4.051 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.672 1.021 -6.247 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.552 1.753 -5.083 1.00 0.00 C ATOM 797 OH TYR A 48 -5.226 2.945 -4.952 1.00 0.00 O ATOM 0 H TYR A 48 -0.595 -3.725 -5.226 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.006 -1.411 -6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.986 -2.604 -6.199 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.452 -2.485 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.465 -0.258 -3.378 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.093 -0.747 -7.285 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.668 1.868 -3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.292 1.382 -7.054 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.445 3.095 -4.009 1.00 0.00 H new ATOM 807 N LEU A 49 -0.031 0.379 -5.583 1.00 0.00 N ATOM 808 CA LEU A 49 0.664 1.414 -4.825 1.00 0.00 C ATOM 809 C LEU A 49 -0.119 2.723 -4.845 1.00 0.00 C ATOM 810 O LEU A 49 -0.784 3.045 -5.830 1.00 0.00 O ATOM 811 CB LEU A 49 2.066 1.637 -5.395 1.00 0.00 C ATOM 812 CG LEU A 49 2.890 2.743 -4.737 1.00 0.00 C ATOM 813 CD1 LEU A 49 3.409 2.288 -3.382 1.00 0.00 C ATOM 814 CD2 LEU A 49 4.043 3.159 -5.639 1.00 0.00 C ATOM 0 H LEU A 49 -0.310 0.660 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 49 0.748 1.078 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.621 0.702 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.973 1.864 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 49 2.244 3.608 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.993 3.089 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.568 2.041 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.038 1.407 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.618 3.947 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.688 2.300 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.649 3.528 -6.586 1.00 0.00 H new ATOM 826 N ARG A 50 -0.035 3.473 -3.751 1.00 0.00 N ATOM 827 CA ARG A 50 -0.735 4.748 -3.644 1.00 0.00 C ATOM 828 C ARG A 50 0.247 5.888 -3.393 1.00 0.00 C ATOM 829 O ARG A 50 1.036 5.846 -2.448 1.00 0.00 O ATOM 830 CB ARG A 50 -1.768 4.693 -2.516 1.00 0.00 C ATOM 831 CG ARG A 50 -2.784 5.822 -2.566 1.00 0.00 C ATOM 832 CD ARG A 50 -4.180 5.332 -2.216 1.00 0.00 C ATOM 833 NE ARG A 50 -4.933 6.321 -1.450 1.00 0.00 N ATOM 834 CZ ARG A 50 -4.723 6.568 -0.162 1.00 0.00 C ATOM 835 NH1 ARG A 50 -3.788 5.901 0.501 1.00 0.00 N ATOM 836 NH2 ARG A 50 -5.449 7.485 0.466 1.00 0.00 N ATOM 0 H ARG A 50 0.510 3.220 -2.927 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.247 4.934 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.294 3.740 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.249 4.724 -1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.489 6.609 -1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.791 6.262 -3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.721 5.095 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.106 4.409 -1.642 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.660 6.851 -1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.228 5.196 0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.629 6.093 1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.169 8.000 -0.041 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.287 7.674 1.455 1.00 0.00 H new ATOM 850 N LEU A 51 0.194 6.906 -4.245 1.00 0.00 N ATOM 851 CA LEU A 51 1.079 8.058 -4.117 1.00 0.00 C ATOM 852 C LEU A 51 0.288 9.316 -3.770 1.00 0.00 C ATOM 853 O LEU A 51 -0.655 9.681 -4.471 1.00 0.00 O ATOM 854 CB LEU A 51 1.858 8.274 -5.415 1.00 0.00 C ATOM 855 CG LEU A 51 2.807 7.147 -5.824 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.540 7.505 -7.107 1.00 0.00 C ATOM 857 CD2 LEU A 51 3.797 6.851 -4.707 1.00 0.00 C ATOM 0 H LEU A 51 -0.453 6.957 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 51 1.781 7.858 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.143 8.431 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.437 9.193 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 51 2.216 6.249 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.211 6.691 -7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.817 7.665 -7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.119 8.416 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.464 6.046 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.382 7.745 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.255 6.549 -3.811 1.00 0.00 H new ATOM 869 N ARG A 52 0.682 9.975 -2.685 1.00 0.00 N ATOM 870 CA ARG A 52 0.011 11.193 -2.246 1.00 0.00 C ATOM 871 C ARG A 52 0.970 12.379 -2.263 1.00 0.00 C ATOM 872 O ARG A 52 1.849 12.493 -1.409 1.00 0.00 O ATOM 873 CB ARG A 52 -0.560 11.006 -0.839 1.00 0.00 C ATOM 874 CG ARG A 52 -1.774 11.876 -0.554 1.00 0.00 C ATOM 875 CD ARG A 52 -1.368 13.289 -0.165 1.00 0.00 C ATOM 876 NE ARG A 52 -2.488 14.050 0.381 1.00 0.00 N ATOM 877 CZ ARG A 52 -2.375 15.284 0.860 1.00 0.00 C ATOM 878 NH1 ARG A 52 -1.197 15.893 0.860 1.00 0.00 N ATOM 879 NH2 ARG A 52 -3.441 15.911 1.340 1.00 0.00 N ATOM 0 H ARG A 52 1.462 9.686 -2.094 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.805 11.398 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.833 9.960 -0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.217 11.230 -0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.414 11.910 -1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.361 11.431 0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.566 13.246 0.572 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.971 13.805 -1.039 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.408 13.610 0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.375 15.414 0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.113 16.840 1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.349 15.446 1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.353 16.858 1.708 1.00 0.00 H new ATOM 893 N PHE A 53 0.796 13.260 -3.243 1.00 0.00 N ATOM 894 CA PHE A 53 1.647 14.437 -3.373 1.00 0.00 C ATOM 895 C PHE A 53 1.000 15.652 -2.714 1.00 0.00 C ATOM 896 O PHE A 53 -0.219 15.730 -2.560 1.00 0.00 O ATOM 897 CB PHE A 53 1.925 14.731 -4.849 1.00 0.00 C ATOM 898 CG PHE A 53 2.510 13.564 -5.592 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.184 12.561 -4.914 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.386 13.470 -6.969 1.00 0.00 C ATOM 901 CE1 PHE A 53 3.724 11.487 -5.596 1.00 0.00 C ATOM 902 CE2 PHE A 53 2.924 12.398 -7.656 1.00 0.00 C ATOM 903 CZ PHE A 53 3.593 11.405 -6.968 1.00 0.00 C ATOM 0 H PHE A 53 0.073 13.181 -3.959 1.00 0.00 H new ATOM 0 HA PHE A 53 2.590 14.230 -2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.995 15.031 -5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.609 15.577 -4.920 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.289 12.619 -3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.863 14.243 -7.512 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.248 10.712 -5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.821 12.337 -8.729 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.013 10.566 -7.502 1.00 0.00 H new ATOM 913 N PRO A 54 1.835 16.623 -2.316 1.00 0.00 N ATOM 914 CA PRO A 54 1.367 17.852 -1.667 1.00 0.00 C ATOM 915 C PRO A 54 0.610 18.762 -2.628 1.00 0.00 C ATOM 916 O PRO A 54 -0.042 19.719 -2.208 1.00 0.00 O ATOM 917 CB PRO A 54 2.662 18.523 -1.203 1.00 0.00 C ATOM 918 CG PRO A 54 3.710 18.002 -2.126 1.00 0.00 C ATOM 919 CD PRO A 54 3.299 16.596 -2.468 1.00 0.00 C ATOM 0 HA PRO A 54 0.665 17.645 -0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.588 19.609 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.888 18.273 -0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.781 18.617 -3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.691 18.017 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.593 16.327 -3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.759 15.869 -1.799 1.00 0.00 H new ATOM 927 N HIS A 55 0.699 18.458 -3.919 1.00 0.00 N ATOM 928 CA HIS A 55 0.021 19.249 -4.939 1.00 0.00 C ATOM 929 C HIS A 55 -1.135 18.466 -5.554 1.00 0.00 C ATOM 930 O HIS A 55 -1.484 17.384 -5.083 1.00 0.00 O ATOM 931 CB HIS A 55 1.007 19.667 -6.030 1.00 0.00 C ATOM 932 CG HIS A 55 2.101 20.563 -5.537 1.00 0.00 C ATOM 933 ND1 HIS A 55 2.002 21.938 -5.530 1.00 0.00 N ATOM 934 CD2 HIS A 55 3.323 20.272 -5.031 1.00 0.00 C ATOM 935 CE1 HIS A 55 3.116 22.455 -5.042 1.00 0.00 C ATOM 936 NE2 HIS A 55 3.933 21.465 -4.732 1.00 0.00 N ATOM 0 H HIS A 55 1.234 17.670 -4.283 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.381 20.143 -4.462 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.451 18.773 -6.469 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.462 20.176 -6.825 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.740 19.286 -4.889 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.323 23.508 -4.918 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.867 21.570 -4.335 1.00 0.00 H new ATOM 944 N GLU A 56 -1.725 19.021 -6.609 1.00 0.00 N ATOM 945 CA GLU A 56 -2.842 18.374 -7.286 1.00 0.00 C ATOM 946 C GLU A 56 -2.554 18.210 -8.776 1.00 0.00 C ATOM 947 O GLU A 56 -2.316 19.188 -9.485 1.00 0.00 O ATOM 948 CB GLU A 56 -4.125 19.185 -7.091 1.00 0.00 C ATOM 949 CG GLU A 56 -3.919 20.686 -7.205 1.00 0.00 C ATOM 950 CD GLU A 56 -5.225 21.457 -7.182 1.00 0.00 C ATOM 951 OE1 GLU A 56 -6.269 20.868 -7.530 1.00 0.00 O ATOM 952 OE2 GLU A 56 -5.202 22.651 -6.814 1.00 0.00 O ATOM 0 H GLU A 56 -1.448 19.916 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.975 17.385 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.860 18.870 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.543 18.958 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.286 21.026 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.387 20.907 -8.130 1.00 0.00 H new ATOM 959 N LEU A 57 -2.576 16.966 -9.243 1.00 0.00 N ATOM 960 CA LEU A 57 -2.316 16.672 -10.648 1.00 0.00 C ATOM 961 C LEU A 57 -3.620 16.450 -11.408 1.00 0.00 C ATOM 962 O LEU A 57 -4.707 16.544 -10.836 1.00 0.00 O ATOM 963 CB LEU A 57 -1.422 15.438 -10.774 1.00 0.00 C ATOM 964 CG LEU A 57 -0.189 15.407 -9.870 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.050 14.001 -9.341 1.00 0.00 C ATOM 966 CD2 LEU A 57 1.035 15.912 -10.621 1.00 0.00 C ATOM 0 H LEU A 57 -2.771 16.145 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.804 17.530 -11.085 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.025 14.555 -10.563 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.091 15.358 -11.809 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.368 16.067 -9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.931 13.998 -8.700 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.818 13.676 -8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.208 13.320 -10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.903 15.883 -9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.216 15.278 -11.489 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.863 16.937 -10.950 1.00 0.00 H new ATOM 978 N ILE A 58 -3.504 16.152 -12.697 1.00 0.00 N ATOM 979 CA ILE A 58 -4.673 15.913 -13.534 1.00 0.00 C ATOM 980 C ILE A 58 -4.420 14.776 -14.519 1.00 0.00 C ATOM 981 O ILE A 58 -3.308 14.611 -15.020 1.00 0.00 O ATOM 982 CB ILE A 58 -5.073 17.177 -14.317 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.287 16.891 -15.204 1.00 0.00 C ATOM 984 CG2 ILE A 58 -3.904 17.674 -15.154 1.00 0.00 C ATOM 985 CD1 ILE A 58 -6.879 18.131 -15.836 1.00 0.00 C ATOM 0 H ILE A 58 -2.612 16.070 -13.185 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.489 15.637 -12.866 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.342 17.957 -13.605 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.996 16.195 -15.991 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.053 16.395 -14.608 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.203 18.568 -15.702 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.064 17.912 -14.501 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.606 16.899 -15.860 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.735 17.853 -16.451 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.201 18.819 -15.055 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.128 18.616 -16.459 1.00 0.00 H new ATOM 997 N ASP A 59 -5.461 13.997 -14.795 1.00 0.00 N ATOM 998 CA ASP A 59 -5.353 12.878 -15.723 1.00 0.00 C ATOM 999 C ASP A 59 -6.060 13.192 -17.038 1.00 0.00 C ATOM 1000 O ASP A 59 -7.288 13.152 -17.119 1.00 0.00 O ATOM 1001 CB ASP A 59 -5.946 11.613 -15.101 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.464 10.642 -16.144 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.663 10.204 -16.997 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.670 10.320 -16.107 1.00 0.00 O ATOM 0 H ASP A 59 -6.389 14.120 -14.389 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.296 12.711 -15.930 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.186 11.119 -14.495 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.759 11.889 -14.430 1.00 0.00 H new ATOM 1009 N ASP A 60 -5.277 13.506 -18.064 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.828 13.828 -19.375 1.00 0.00 C ATOM 1011 C ASP A 60 -5.410 12.788 -20.410 1.00 0.00 C ATOM 1012 O ASP A 60 -4.892 11.727 -20.063 1.00 0.00 O ATOM 1013 CB ASP A 60 -5.370 15.219 -19.817 1.00 0.00 C ATOM 1014 CG ASP A 60 -6.532 16.129 -20.163 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -7.342 16.425 -19.260 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -6.633 16.544 -21.337 1.00 0.00 O ATOM 0 H ASP A 60 -4.259 13.544 -18.013 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.915 13.820 -19.297 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.781 15.674 -19.021 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.716 15.124 -20.684 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.639 13.101 -21.682 1.00 0.00 N ATOM 1022 CA GLU A 61 -5.287 12.192 -22.767 1.00 0.00 C ATOM 1023 C GLU A 61 -3.781 11.946 -22.803 1.00 0.00 C ATOM 1024 O GLU A 61 -3.322 10.916 -23.298 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.755 12.759 -24.109 1.00 0.00 C ATOM 1026 CG GLU A 61 -5.050 14.046 -24.505 1.00 0.00 C ATOM 1027 CD GLU A 61 -5.555 14.606 -25.820 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -4.997 14.238 -26.875 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -6.508 15.413 -25.795 1.00 0.00 O ATOM 0 H GLU A 61 -6.066 13.976 -21.986 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.789 11.241 -22.588 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.593 12.012 -24.886 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.828 12.942 -24.062 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.190 14.789 -23.720 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.979 13.861 -24.581 1.00 0.00 H new ATOM 1036 N ARG A 62 -3.019 12.899 -22.277 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.565 12.787 -22.251 1.00 0.00 C ATOM 1038 C ARG A 62 -1.119 11.739 -21.235 1.00 0.00 C ATOM 1039 O ARG A 62 -0.134 11.032 -21.449 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.934 14.139 -21.916 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.625 14.868 -20.775 1.00 0.00 C ATOM 1042 CD ARG A 62 -2.401 16.077 -21.275 1.00 0.00 C ATOM 1043 NE ARG A 62 -1.519 17.109 -21.813 1.00 0.00 N ATOM 1044 CZ ARG A 62 -1.355 17.332 -23.112 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -2.011 16.599 -24.002 1.00 0.00 N ATOM 1046 NH2 ARG A 62 -0.535 18.290 -23.524 1.00 0.00 N ATOM 0 H ARG A 62 -3.384 13.757 -21.863 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.232 12.474 -23.240 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.114 13.987 -21.657 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.955 14.770 -22.804 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.303 14.185 -20.263 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.883 15.188 -20.044 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.104 15.763 -22.046 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.990 16.493 -20.458 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.000 17.691 -21.155 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.643 15.862 -23.689 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.883 16.772 -24.999 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.029 18.856 -22.843 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.410 18.460 -24.522 1.00 0.00 H new ATOM 1060 N SER A 63 -1.849 11.647 -20.129 1.00 0.00 N ATOM 1061 CA SER A 63 -1.526 10.689 -19.077 1.00 0.00 C ATOM 1062 C SER A 63 -1.348 9.288 -19.654 1.00 0.00 C ATOM 1063 O SER A 63 -2.178 8.813 -20.430 1.00 0.00 O ATOM 1064 CB SER A 63 -2.625 10.679 -18.013 1.00 0.00 C ATOM 1065 OG SER A 63 -3.158 9.377 -17.843 1.00 0.00 O ATOM 0 H SER A 63 -2.668 12.224 -19.937 1.00 0.00 H new ATOM 0 HA SER A 63 -0.587 10.995 -18.616 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.222 11.037 -17.066 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.420 11.366 -18.301 1.00 0.00 H new ATOM 0 HG SER A 63 -4.085 9.441 -17.530 1.00 0.00 H new ATOM 1071 N THR A 64 -0.259 8.631 -19.270 1.00 0.00 N ATOM 1072 CA THR A 64 0.031 7.285 -19.748 1.00 0.00 C ATOM 1073 C THR A 64 1.332 6.758 -19.155 1.00 0.00 C ATOM 1074 O THR A 64 2.111 7.513 -18.573 1.00 0.00 O ATOM 1075 CB THR A 64 0.128 7.244 -21.285 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.392 5.907 -21.724 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.225 8.173 -21.783 1.00 0.00 C ATOM 0 H THR A 64 0.438 9.010 -18.628 1.00 0.00 H new ATOM 0 HA THR A 64 -0.795 6.651 -19.425 1.00 0.00 H new ATOM 0 HB THR A 64 -0.824 7.579 -21.696 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.450 5.889 -22.702 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.275 8.127 -22.871 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.005 9.195 -21.473 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.182 7.864 -21.363 1.00 0.00 H new ATOM 1085 N ALA A 65 1.563 5.458 -19.306 1.00 0.00 N ATOM 1086 CA ALA A 65 2.772 4.831 -18.787 1.00 0.00 C ATOM 1087 C ALA A 65 3.393 3.897 -19.819 1.00 0.00 C ATOM 1088 O ALA A 65 2.683 3.216 -20.559 1.00 0.00 O ATOM 1089 CB ALA A 65 2.464 4.073 -17.504 1.00 0.00 C ATOM 0 H ALA A 65 0.928 4.818 -19.784 1.00 0.00 H new ATOM 0 HA ALA A 65 3.494 5.618 -18.567 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.376 3.610 -17.127 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.073 4.765 -16.758 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.722 3.301 -17.707 1.00 0.00 H new ATOM 1095 N GLN A 66 4.721 3.870 -19.864 1.00 0.00 N ATOM 1096 CA GLN A 66 5.436 3.020 -20.808 1.00 0.00 C ATOM 1097 C GLN A 66 6.368 2.060 -20.077 1.00 0.00 C ATOM 1098 O GLN A 66 7.125 2.464 -19.194 1.00 0.00 O ATOM 1099 CB GLN A 66 6.235 3.875 -21.793 1.00 0.00 C ATOM 1100 CG GLN A 66 5.392 4.901 -22.532 1.00 0.00 C ATOM 1101 CD GLN A 66 6.227 5.998 -23.162 1.00 0.00 C ATOM 1102 OE1 GLN A 66 7.261 5.732 -23.776 1.00 0.00 O ATOM 1103 NE2 GLN A 66 5.781 7.241 -23.015 1.00 0.00 N ATOM 0 H GLN A 66 5.323 4.427 -19.258 1.00 0.00 H new ATOM 0 HA GLN A 66 4.701 2.434 -21.360 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.029 4.391 -21.253 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.717 3.222 -22.520 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.813 4.399 -23.308 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.678 5.346 -21.839 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.919 7.416 -22.498 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.301 8.020 -23.419 1.00 0.00 H new ATOM 1112 N TYR A 67 6.309 0.786 -20.451 1.00 0.00 N ATOM 1113 CA TYR A 67 7.146 -0.233 -19.829 1.00 0.00 C ATOM 1114 C TYR A 67 8.504 -0.318 -20.519 1.00 0.00 C ATOM 1115 O TYR A 67 8.584 -0.472 -21.738 1.00 0.00 O ATOM 1116 CB TYR A 67 6.450 -1.594 -19.877 1.00 0.00 C ATOM 1117 CG TYR A 67 7.355 -2.750 -19.517 1.00 0.00 C ATOM 1118 CD1 TYR A 67 8.269 -2.645 -18.475 1.00 0.00 C ATOM 1119 CD2 TYR A 67 7.296 -3.948 -20.218 1.00 0.00 C ATOM 1120 CE1 TYR A 67 9.098 -3.698 -18.144 1.00 0.00 C ATOM 1121 CE2 TYR A 67 8.121 -5.008 -19.892 1.00 0.00 C ATOM 1122 CZ TYR A 67 9.021 -4.878 -18.855 1.00 0.00 C ATOM 1123 OH TYR A 67 9.844 -5.930 -18.526 1.00 0.00 O ATOM 0 H TYR A 67 5.690 0.435 -21.182 1.00 0.00 H new ATOM 0 HA TYR A 67 7.305 0.049 -18.788 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.600 -1.582 -19.194 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.052 -1.754 -20.879 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.332 -1.724 -17.915 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.594 -4.053 -21.032 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.804 -3.599 -17.332 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.061 -5.933 -20.446 1.00 0.00 H new ATOM 0 HH TYR A 67 9.663 -6.686 -19.122 1.00 0.00 H new ATOM 1133 N ASP A 68 9.568 -0.219 -19.731 1.00 0.00 N ATOM 1134 CA ASP A 68 10.924 -0.286 -20.264 1.00 0.00 C ATOM 1135 C ASP A 68 11.571 -1.628 -19.934 1.00 0.00 C ATOM 1136 O ASP A 68 11.691 -1.999 -18.766 1.00 0.00 O ATOM 1137 CB ASP A 68 11.773 0.856 -19.704 1.00 0.00 C ATOM 1138 CG ASP A 68 11.807 2.058 -20.627 1.00 0.00 C ATOM 1139 OD1 ASP A 68 11.011 2.091 -21.589 1.00 0.00 O ATOM 1140 OD2 ASP A 68 12.629 2.966 -20.387 1.00 0.00 O ATOM 0 H ASP A 68 9.518 -0.092 -18.720 1.00 0.00 H new ATOM 0 HA ASP A 68 10.867 -0.187 -21.348 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.377 1.157 -18.734 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.790 0.501 -19.537 1.00 0.00 H new ATOM 1145 N SER A 69 11.986 -2.350 -20.969 1.00 0.00 N ATOM 1146 CA SER A 69 12.618 -3.652 -20.789 1.00 0.00 C ATOM 1147 C SER A 69 14.120 -3.502 -20.570 1.00 0.00 C ATOM 1148 O SER A 69 14.732 -4.272 -19.829 1.00 0.00 O ATOM 1149 CB SER A 69 12.354 -4.542 -22.005 1.00 0.00 C ATOM 1150 OG SER A 69 13.163 -5.705 -21.970 1.00 0.00 O ATOM 0 H SER A 69 11.896 -2.056 -21.942 1.00 0.00 H new ATOM 0 HA SER A 69 12.185 -4.119 -19.904 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.302 -4.827 -22.030 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.554 -3.983 -22.919 1.00 0.00 H new ATOM 0 HG SER A 69 12.975 -6.258 -22.757 1.00 0.00 H new ATOM 1156 N LYS A 70 14.710 -2.505 -21.221 1.00 0.00 N ATOM 1157 CA LYS A 70 16.140 -2.250 -21.098 1.00 0.00 C ATOM 1158 C LYS A 70 16.551 -2.150 -19.633 1.00 0.00 C ATOM 1159 O LYS A 70 17.670 -2.511 -19.266 1.00 0.00 O ATOM 1160 CB LYS A 70 16.514 -0.961 -21.833 1.00 0.00 C ATOM 1161 CG LYS A 70 15.711 0.248 -21.388 1.00 0.00 C ATOM 1162 CD LYS A 70 16.484 1.094 -20.389 1.00 0.00 C ATOM 1163 CE LYS A 70 15.560 2.013 -19.604 1.00 0.00 C ATOM 1164 NZ LYS A 70 15.400 3.337 -20.267 1.00 0.00 N ATOM 0 H LYS A 70 14.219 -1.860 -21.840 1.00 0.00 H new ATOM 0 HA LYS A 70 16.673 -3.087 -21.550 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.574 -0.759 -21.679 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.370 -1.108 -22.903 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.453 0.854 -22.256 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.774 -0.082 -20.939 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.023 0.444 -19.700 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.230 1.689 -20.915 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.584 1.540 -19.496 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.958 2.156 -18.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.791 4.081 -19.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.907 3.334 -21.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.390 3.522 -20.435 1.00 0.00 H new ATOM 1178 N ASP A 71 15.640 -1.660 -18.800 1.00 0.00 N ATOM 1179 CA ASP A 71 15.907 -1.516 -17.373 1.00 0.00 C ATOM 1180 C ASP A 71 14.840 -2.226 -16.546 1.00 0.00 C ATOM 1181 O ASP A 71 14.891 -2.223 -15.316 1.00 0.00 O ATOM 1182 CB ASP A 71 15.965 -0.036 -16.991 1.00 0.00 C ATOM 1183 CG ASP A 71 16.548 0.183 -15.609 1.00 0.00 C ATOM 1184 OD1 ASP A 71 17.070 -0.790 -15.025 1.00 0.00 O ATOM 1185 OD2 ASP A 71 16.482 1.326 -15.110 1.00 0.00 O ATOM 0 H ASP A 71 14.710 -1.356 -19.088 1.00 0.00 H new ATOM 0 HA ASP A 71 16.872 -1.977 -17.160 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.565 0.502 -17.725 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.961 0.386 -17.029 1.00 0.00 H new ATOM 1190 N GLU A 72 13.875 -2.833 -17.229 1.00 0.00 N ATOM 1191 CA GLU A 72 12.795 -3.545 -16.556 1.00 0.00 C ATOM 1192 C GLU A 72 12.055 -2.625 -15.590 1.00 0.00 C ATOM 1193 O GLU A 72 11.503 -3.076 -14.586 1.00 0.00 O ATOM 1194 CB GLU A 72 13.346 -4.757 -15.803 1.00 0.00 C ATOM 1195 CG GLU A 72 14.100 -5.734 -16.689 1.00 0.00 C ATOM 1196 CD GLU A 72 15.322 -6.318 -16.006 1.00 0.00 C ATOM 1197 OE1 GLU A 72 16.207 -5.536 -15.602 1.00 0.00 O ATOM 1198 OE2 GLU A 72 15.392 -7.558 -15.876 1.00 0.00 O ATOM 0 H GLU A 72 13.819 -2.846 -18.247 1.00 0.00 H new ATOM 0 HA GLU A 72 12.091 -3.887 -17.315 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.010 -4.411 -15.011 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.520 -5.280 -15.320 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.431 -6.543 -16.983 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.407 -5.227 -17.604 1.00 0.00 H new ATOM 1205 N CYS A 73 12.050 -1.333 -15.900 1.00 0.00 N ATOM 1206 CA CYS A 73 11.379 -0.348 -15.059 1.00 0.00 C ATOM 1207 C CYS A 73 10.157 0.229 -15.766 1.00 0.00 C ATOM 1208 O CYS A 73 10.069 0.205 -16.994 1.00 0.00 O ATOM 1209 CB CYS A 73 12.346 0.777 -14.685 1.00 0.00 C ATOM 1210 SG CYS A 73 13.801 0.225 -13.765 1.00 0.00 S ATOM 0 H CYS A 73 12.503 -0.943 -16.727 1.00 0.00 H new ATOM 0 HA CYS A 73 11.047 -0.849 -14.150 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.674 1.277 -15.596 1.00 0.00 H new ATOM 0 HB3 CYS A 73 11.812 1.517 -14.089 1.00 0.00 H new ATOM 0 HG CYS A 73 14.333 -0.797 -14.367 1.00 0.00 H new ATOM 1216 N ILE A 74 9.216 0.746 -14.983 1.00 0.00 N ATOM 1217 CA ILE A 74 7.999 1.329 -15.535 1.00 0.00 C ATOM 1218 C ILE A 74 8.038 2.851 -15.465 1.00 0.00 C ATOM 1219 O ILE A 74 8.394 3.427 -14.437 1.00 0.00 O ATOM 1220 CB ILE A 74 6.747 0.823 -14.793 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.701 -0.706 -14.809 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.489 1.403 -15.422 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.457 -1.289 -16.184 1.00 0.00 C ATOM 0 H ILE A 74 9.273 0.773 -13.965 1.00 0.00 H new ATOM 0 HA ILE A 74 7.944 1.018 -16.578 1.00 0.00 H new ATOM 0 HB ILE A 74 6.798 1.155 -13.756 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.643 -1.094 -14.421 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.914 -1.045 -14.135 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.613 1.037 -14.887 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.521 2.491 -15.363 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.430 1.098 -16.467 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.437 -2.377 -16.120 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.502 -0.930 -16.567 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.257 -0.980 -16.857 1.00 0.00 H new ATOM 1235 N ASN A 75 7.666 3.498 -16.565 1.00 0.00 N ATOM 1236 CA ASN A 75 7.657 4.955 -16.628 1.00 0.00 C ATOM 1237 C ASN A 75 6.228 5.490 -16.647 1.00 0.00 C ATOM 1238 O ASN A 75 5.439 5.150 -17.529 1.00 0.00 O ATOM 1239 CB ASN A 75 8.411 5.437 -17.869 1.00 0.00 C ATOM 1240 CG ASN A 75 9.739 4.728 -18.051 1.00 0.00 C ATOM 1241 OD1 ASN A 75 10.788 5.242 -17.663 1.00 0.00 O ATOM 1242 ND2 ASN A 75 9.699 3.541 -18.644 1.00 0.00 N ATOM 0 H ASN A 75 7.367 3.037 -17.424 1.00 0.00 H new ATOM 0 HA ASN A 75 8.156 5.336 -15.737 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.792 5.276 -18.752 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.583 6.511 -17.792 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.561 3.017 -18.794 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.806 3.153 -18.950 1.00 0.00 H new ATOM 1249 N VAL A 76 5.903 6.329 -15.669 1.00 0.00 N ATOM 1250 CA VAL A 76 4.570 6.913 -15.574 1.00 0.00 C ATOM 1251 C VAL A 76 4.624 8.431 -15.702 1.00 0.00 C ATOM 1252 O VAL A 76 5.369 9.100 -14.985 1.00 0.00 O ATOM 1253 CB VAL A 76 3.890 6.545 -14.242 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.408 6.886 -14.287 1.00 0.00 C ATOM 1255 CG2 VAL A 76 4.097 5.071 -13.928 1.00 0.00 C ATOM 0 H VAL A 76 6.544 6.620 -14.931 1.00 0.00 H new ATOM 0 HA VAL A 76 3.986 6.503 -16.398 1.00 0.00 H new ATOM 0 HB VAL A 76 4.349 7.131 -13.446 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.944 6.619 -13.337 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.286 7.955 -14.463 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.931 6.329 -15.093 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.610 4.828 -12.984 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.666 4.465 -14.725 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.164 4.862 -13.850 1.00 0.00 H new ATOM 1265 N LYS A 77 3.830 8.970 -16.621 1.00 0.00 N ATOM 1266 CA LYS A 77 3.785 10.410 -16.844 1.00 0.00 C ATOM 1267 C LYS A 77 2.446 10.988 -16.396 1.00 0.00 C ATOM 1268 O LYS A 77 1.395 10.383 -16.608 1.00 0.00 O ATOM 1269 CB LYS A 77 4.020 10.726 -18.322 1.00 0.00 C ATOM 1270 CG LYS A 77 2.760 10.652 -19.168 1.00 0.00 C ATOM 1271 CD LYS A 77 2.101 12.014 -19.306 1.00 0.00 C ATOM 1272 CE LYS A 77 2.551 12.726 -20.573 1.00 0.00 C ATOM 1273 NZ LYS A 77 4.007 12.542 -20.824 1.00 0.00 N ATOM 0 H LYS A 77 3.209 8.431 -17.224 1.00 0.00 H new ATOM 0 HA LYS A 77 4.576 10.869 -16.251 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.447 11.725 -18.408 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.757 10.029 -18.721 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.006 10.264 -20.156 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.058 9.951 -18.716 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.018 11.895 -19.319 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.344 12.626 -18.438 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.985 12.347 -21.424 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.328 13.790 -20.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.292 13.110 -21.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.545 12.849 -19.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.203 11.538 -21.012 1.00 0.00 H new ATOM 1287 N VAL A 78 2.491 12.164 -15.778 1.00 0.00 N ATOM 1288 CA VAL A 78 1.281 12.825 -15.303 1.00 0.00 C ATOM 1289 C VAL A 78 1.343 14.328 -15.552 1.00 0.00 C ATOM 1290 O VAL A 78 2.348 14.975 -15.262 1.00 0.00 O ATOM 1291 CB VAL A 78 1.057 12.573 -13.800 1.00 0.00 C ATOM 1292 CG1 VAL A 78 -0.300 13.108 -13.366 1.00 0.00 C ATOM 1293 CG2 VAL A 78 1.181 11.090 -13.485 1.00 0.00 C ATOM 0 H VAL A 78 3.352 12.679 -15.595 1.00 0.00 H new ATOM 0 HA VAL A 78 0.447 12.401 -15.863 1.00 0.00 H new ATOM 0 HB VAL A 78 1.826 13.105 -13.240 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.441 12.921 -12.301 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.346 14.180 -13.556 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.086 12.606 -13.930 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.020 10.930 -12.419 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.435 10.534 -14.052 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.177 10.742 -13.758 1.00 0.00 H new ATOM 1303 N ALA A 79 0.259 14.878 -16.090 1.00 0.00 N ATOM 1304 CA ALA A 79 0.188 16.305 -16.376 1.00 0.00 C ATOM 1305 C ALA A 79 -0.126 17.103 -15.114 1.00 0.00 C ATOM 1306 O ALA A 79 -1.028 16.751 -14.353 1.00 0.00 O ATOM 1307 CB ALA A 79 -0.856 16.578 -17.448 1.00 0.00 C ATOM 0 H ALA A 79 -0.582 14.356 -16.336 1.00 0.00 H new ATOM 0 HA ALA A 79 1.163 16.625 -16.744 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.898 17.648 -17.651 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.588 16.046 -18.361 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.831 16.236 -17.101 1.00 0.00 H new ATOM 1313 N LYS A 80 0.623 18.178 -14.897 1.00 0.00 N ATOM 1314 CA LYS A 80 0.425 19.027 -13.728 1.00 0.00 C ATOM 1315 C LYS A 80 -0.603 20.116 -14.015 1.00 0.00 C ATOM 1316 O LYS A 80 -0.756 20.555 -15.156 1.00 0.00 O ATOM 1317 CB LYS A 80 1.751 19.661 -13.302 1.00 0.00 C ATOM 1318 CG LYS A 80 2.297 19.109 -11.997 1.00 0.00 C ATOM 1319 CD LYS A 80 1.957 20.012 -10.823 1.00 0.00 C ATOM 1320 CE LYS A 80 0.701 19.544 -10.105 1.00 0.00 C ATOM 1321 NZ LYS A 80 0.060 20.644 -9.333 1.00 0.00 N ATOM 0 H LYS A 80 1.374 18.483 -15.516 1.00 0.00 H new ATOM 0 HA LYS A 80 0.051 18.404 -12.916 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.488 19.505 -14.090 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.614 20.738 -13.202 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.887 18.114 -11.822 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.379 19.000 -12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.792 20.030 -10.123 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.816 21.033 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.008 19.151 -10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.952 18.726 -9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.811 20.293 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.715 20.980 -8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.173 21.429 -9.975 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.305 20.550 -12.974 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.318 21.590 -13.114 1.00 0.00 C ATOM 1337 C LEU A 81 -1.679 22.928 -13.472 1.00 0.00 C ATOM 1338 O LEU A 81 -2.305 23.777 -14.105 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.121 21.726 -11.819 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.093 20.586 -11.510 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -4.895 20.895 -10.256 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -5.019 20.340 -12.691 1.00 0.00 C ATOM 0 H LEU A 81 -1.191 20.198 -12.024 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.990 21.301 -13.922 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.421 21.815 -10.988 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.686 22.657 -11.861 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.515 19.679 -11.333 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.581 20.073 -10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.217 21.020 -9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.463 21.814 -10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.703 19.526 -12.453 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.590 21.245 -12.900 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.428 20.073 -13.567 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.427 23.108 -13.063 1.00 0.00 N ATOM 1355 CA ASN A 82 0.298 24.343 -13.341 1.00 0.00 C ATOM 1356 C ASN A 82 1.729 24.046 -13.778 1.00 0.00 C ATOM 1357 O ASN A 82 2.451 23.300 -13.115 1.00 0.00 O ATOM 1358 CB ASN A 82 0.306 25.244 -12.105 1.00 0.00 C ATOM 1359 CG ASN A 82 -1.012 25.210 -11.355 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -1.861 26.084 -11.529 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -1.188 24.196 -10.516 1.00 0.00 N ATOM 0 H ASN A 82 0.106 22.415 -12.538 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.212 24.859 -14.154 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.109 24.932 -11.437 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.522 26.269 -12.407 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.055 24.119 -9.984 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.456 23.494 -10.404 1.00 0.00 H new ATOM 1368 N LYS A 83 2.135 24.636 -14.897 1.00 0.00 N ATOM 1369 CA LYS A 83 3.480 24.437 -15.423 1.00 0.00 C ATOM 1370 C LYS A 83 4.523 25.053 -14.496 1.00 0.00 C ATOM 1371 O LYS A 83 4.199 25.880 -13.645 1.00 0.00 O ATOM 1372 CB LYS A 83 3.599 25.051 -16.820 1.00 0.00 C ATOM 1373 CG LYS A 83 4.749 24.486 -17.636 1.00 0.00 C ATOM 1374 CD LYS A 83 4.435 24.496 -19.123 1.00 0.00 C ATOM 1375 CE LYS A 83 5.186 23.397 -19.859 1.00 0.00 C ATOM 1376 NZ LYS A 83 5.606 23.827 -21.221 1.00 0.00 N ATOM 0 H LYS A 83 1.551 25.257 -15.458 1.00 0.00 H new ATOM 0 HA LYS A 83 3.663 23.364 -15.487 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.666 24.888 -17.360 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.728 26.129 -16.724 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.650 25.070 -17.450 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.958 23.466 -17.314 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.363 24.367 -19.270 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.700 25.465 -19.545 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.065 23.109 -19.282 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.552 22.514 -19.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.114 23.050 -21.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.766 24.078 -21.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.232 24.654 -21.146 1.00 0.00 H new ATOM 1390 N ASN A 84 5.776 24.644 -14.667 1.00 0.00 N ATOM 1391 CA ASN A 84 6.866 25.156 -13.845 1.00 0.00 C ATOM 1392 C ASN A 84 6.628 24.847 -12.370 1.00 0.00 C ATOM 1393 O ASN A 84 7.200 25.490 -11.491 1.00 0.00 O ATOM 1394 CB ASN A 84 7.017 26.666 -14.044 1.00 0.00 C ATOM 1395 CG ASN A 84 7.994 27.009 -15.151 1.00 0.00 C ATOM 1396 OD1 ASN A 84 8.846 27.883 -14.993 1.00 0.00 O ATOM 1397 ND2 ASN A 84 7.876 26.319 -16.280 1.00 0.00 N ATOM 0 H ASN A 84 6.061 23.960 -15.367 1.00 0.00 H new ATOM 0 HA ASN A 84 7.786 24.661 -14.157 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.044 27.098 -14.276 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.354 27.120 -13.112 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.507 26.505 -17.060 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.155 25.603 -16.367 1.00 0.00 H new ATOM 1404 N GLU A 85 5.779 23.858 -12.108 1.00 0.00 N ATOM 1405 CA GLU A 85 5.464 23.464 -10.740 1.00 0.00 C ATOM 1406 C GLU A 85 6.400 22.357 -10.264 1.00 0.00 C ATOM 1407 O GLU A 85 6.555 21.332 -10.928 1.00 0.00 O ATOM 1408 CB GLU A 85 4.011 22.997 -10.641 1.00 0.00 C ATOM 1409 CG GLU A 85 3.562 22.700 -9.220 1.00 0.00 C ATOM 1410 CD GLU A 85 3.018 23.925 -8.512 1.00 0.00 C ATOM 1411 OE1 GLU A 85 3.828 24.797 -8.130 1.00 0.00 O ATOM 1412 OE2 GLU A 85 1.785 24.013 -8.339 1.00 0.00 O ATOM 0 H GLU A 85 5.297 23.315 -12.825 1.00 0.00 H new ATOM 0 HA GLU A 85 5.602 24.334 -10.098 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.362 23.763 -11.065 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.884 22.100 -11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.795 21.926 -9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.403 22.301 -8.653 1.00 0.00 H new ATOM 1419 N TYR A 86 7.021 22.571 -9.110 1.00 0.00 N ATOM 1420 CA TYR A 86 7.944 21.593 -8.545 1.00 0.00 C ATOM 1421 C TYR A 86 7.338 20.917 -7.319 1.00 0.00 C ATOM 1422 O TYR A 86 6.256 21.287 -6.862 1.00 0.00 O ATOM 1423 CB TYR A 86 9.266 22.265 -8.170 1.00 0.00 C ATOM 1424 CG TYR A 86 9.273 22.850 -6.775 1.00 0.00 C ATOM 1425 CD1 TYR A 86 8.634 24.052 -6.502 1.00 0.00 C ATOM 1426 CD2 TYR A 86 9.921 22.200 -5.732 1.00 0.00 C ATOM 1427 CE1 TYR A 86 8.639 24.590 -5.229 1.00 0.00 C ATOM 1428 CE2 TYR A 86 9.930 22.730 -4.456 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.287 23.925 -4.210 1.00 0.00 C ATOM 1430 OH TYR A 86 9.295 24.457 -2.941 1.00 0.00 O ATOM 0 H TYR A 86 6.902 23.413 -8.547 1.00 0.00 H new ATOM 0 HA TYR A 86 8.133 20.831 -9.301 1.00 0.00 H new ATOM 0 HB2 TYR A 86 10.071 21.535 -8.253 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.478 23.057 -8.888 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.125 24.575 -7.298 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.426 21.265 -5.922 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.138 25.527 -5.034 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.438 22.212 -3.656 1.00 0.00 H new ATOM 0 HH TYR A 86 9.794 23.864 -2.341 1.00 0.00 H new ATOM 1440 N PHE A 87 8.045 19.923 -6.790 1.00 0.00 N ATOM 1441 CA PHE A 87 7.578 19.194 -5.617 1.00 0.00 C ATOM 1442 C PHE A 87 8.696 19.044 -4.589 1.00 0.00 C ATOM 1443 O PHE A 87 9.858 19.330 -4.876 1.00 0.00 O ATOM 1444 CB PHE A 87 7.055 17.814 -6.022 1.00 0.00 C ATOM 1445 CG PHE A 87 5.904 17.869 -6.986 1.00 0.00 C ATOM 1446 CD1 PHE A 87 6.102 18.257 -8.301 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.624 17.533 -6.576 1.00 0.00 C ATOM 1448 CE1 PHE A 87 5.045 18.308 -9.190 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.563 17.581 -7.461 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.774 17.971 -8.769 1.00 0.00 C ATOM 0 H PHE A 87 8.943 19.605 -7.155 1.00 0.00 H new ATOM 0 HA PHE A 87 6.766 19.765 -5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.868 17.243 -6.471 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.744 17.275 -5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.094 18.523 -8.635 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.453 17.230 -5.554 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.213 18.611 -10.213 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.570 17.314 -7.130 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.946 18.012 -9.461 1.00 0.00 H new ATOM 1460 N GLU A 88 8.335 18.595 -3.392 1.00 0.00 N ATOM 1461 CA GLU A 88 9.307 18.409 -2.321 1.00 0.00 C ATOM 1462 C GLU A 88 9.185 17.016 -1.711 1.00 0.00 C ATOM 1463 O GLU A 88 10.187 16.385 -1.372 1.00 0.00 O ATOM 1464 CB GLU A 88 9.115 19.471 -1.237 1.00 0.00 C ATOM 1465 CG GLU A 88 9.738 20.813 -1.581 1.00 0.00 C ATOM 1466 CD GLU A 88 11.230 20.715 -1.835 1.00 0.00 C ATOM 1467 OE1 GLU A 88 11.618 20.365 -2.968 1.00 0.00 O ATOM 1468 OE2 GLU A 88 12.010 20.989 -0.898 1.00 0.00 O ATOM 0 H GLU A 88 7.377 18.353 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 88 10.304 18.513 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.048 19.610 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.547 19.108 -0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.249 21.221 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.557 21.513 -0.765 1.00 0.00 H new ATOM 1475 N ASP A 89 7.952 16.542 -1.574 1.00 0.00 N ATOM 1476 CA ASP A 89 7.697 15.224 -1.006 1.00 0.00 C ATOM 1477 C ASP A 89 8.140 14.123 -1.966 1.00 0.00 C ATOM 1478 O ASP A 89 8.370 12.984 -1.558 1.00 0.00 O ATOM 1479 CB ASP A 89 6.212 15.064 -0.678 1.00 0.00 C ATOM 1480 CG ASP A 89 5.897 15.413 0.763 1.00 0.00 C ATOM 1481 OD1 ASP A 89 6.743 15.137 1.640 1.00 0.00 O ATOM 1482 OD2 ASP A 89 4.804 15.962 1.015 1.00 0.00 O ATOM 0 H ASP A 89 7.112 17.052 -1.849 1.00 0.00 H new ATOM 0 HA ASP A 89 8.276 15.134 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.626 15.702 -1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.908 14.036 -0.875 1.00 0.00 H new ATOM 1487 N LEU A 90 8.256 14.471 -3.243 1.00 0.00 N ATOM 1488 CA LEU A 90 8.671 13.513 -4.262 1.00 0.00 C ATOM 1489 C LEU A 90 10.080 12.999 -3.985 1.00 0.00 C ATOM 1490 O LEU A 90 10.501 11.983 -4.539 1.00 0.00 O ATOM 1491 CB LEU A 90 8.613 14.156 -5.648 1.00 0.00 C ATOM 1492 CG LEU A 90 7.215 14.456 -6.191 1.00 0.00 C ATOM 1493 CD1 LEU A 90 7.280 14.799 -7.671 1.00 0.00 C ATOM 1494 CD2 LEU A 90 6.287 13.273 -5.956 1.00 0.00 C ATOM 0 H LEU A 90 8.069 15.409 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 90 7.984 12.667 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.177 15.088 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.121 13.498 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 90 6.815 15.318 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.276 15.009 -8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.911 15.677 -7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.700 13.957 -8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.297 13.504 -6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.683 12.394 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.216 13.073 -4.887 1.00 0.00 H new ATOM 1506 N ASP A 91 10.804 13.707 -3.125 1.00 0.00 N ATOM 1507 CA ASP A 91 12.165 13.321 -2.772 1.00 0.00 C ATOM 1508 C ASP A 91 12.170 12.386 -1.567 1.00 0.00 C ATOM 1509 O ASP A 91 13.213 12.144 -0.959 1.00 0.00 O ATOM 1510 CB ASP A 91 13.009 14.561 -2.475 1.00 0.00 C ATOM 1511 CG ASP A 91 13.649 15.139 -3.721 1.00 0.00 C ATOM 1512 OD1 ASP A 91 13.110 14.911 -4.824 1.00 0.00 O ATOM 1513 OD2 ASP A 91 14.690 15.818 -3.594 1.00 0.00 O ATOM 0 H ASP A 91 10.471 14.551 -2.660 1.00 0.00 H new ATOM 0 HA ASP A 91 12.598 12.792 -3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.382 15.320 -2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.787 14.303 -1.757 1.00 0.00 H new ATOM 1518 N LEU A 92 10.997 11.863 -1.226 1.00 0.00 N ATOM 1519 CA LEU A 92 10.865 10.955 -0.092 1.00 0.00 C ATOM 1520 C LEU A 92 9.873 9.838 -0.401 1.00 0.00 C ATOM 1521 O LEU A 92 8.657 10.028 -0.368 1.00 0.00 O ATOM 1522 CB LEU A 92 10.414 11.723 1.152 1.00 0.00 C ATOM 1523 CG LEU A 92 10.923 13.160 1.275 1.00 0.00 C ATOM 1524 CD1 LEU A 92 10.029 13.964 2.206 1.00 0.00 C ATOM 1525 CD2 LEU A 92 12.362 13.176 1.768 1.00 0.00 C ATOM 0 H LEU A 92 10.124 12.052 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 92 11.840 10.507 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.324 11.742 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.736 11.168 2.033 1.00 0.00 H new ATOM 0 HG LEU A 92 10.894 13.622 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.406 14.984 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.013 13.981 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.026 13.504 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.707 14.207 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.417 12.697 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.994 12.636 1.063 1.00 0.00 H new ATOM 1537 N PRO A 93 10.402 8.645 -0.708 1.00 0.00 N ATOM 1538 CA PRO A 93 9.581 7.473 -1.026 1.00 0.00 C ATOM 1539 C PRO A 93 8.836 6.939 0.192 1.00 0.00 C ATOM 1540 O PRO A 93 8.011 6.031 0.080 1.00 0.00 O ATOM 1541 CB PRO A 93 10.604 6.446 -1.519 1.00 0.00 C ATOM 1542 CG PRO A 93 11.885 6.847 -0.873 1.00 0.00 C ATOM 1543 CD PRO A 93 11.843 8.347 -0.766 1.00 0.00 C ATOM 0 HA PRO A 93 8.804 7.706 -1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.317 5.434 -1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.687 6.460 -2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.986 6.388 0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.740 6.522 -1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.363 8.701 0.124 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.318 8.824 -1.623 1.00 0.00 H new ATOM 1551 N THR A 94 9.130 7.509 1.357 1.00 0.00 N ATOM 1552 CA THR A 94 8.488 7.090 2.596 1.00 0.00 C ATOM 1553 C THR A 94 7.333 8.017 2.958 1.00 0.00 C ATOM 1554 O THR A 94 6.583 7.754 3.898 1.00 0.00 O ATOM 1555 CB THR A 94 9.491 7.057 3.765 1.00 0.00 C ATOM 1556 OG1 THR A 94 10.072 8.353 3.948 1.00 0.00 O ATOM 1557 CG2 THR A 94 10.588 6.035 3.508 1.00 0.00 C ATOM 0 H THR A 94 9.809 8.262 1.468 1.00 0.00 H new ATOM 0 HA THR A 94 8.104 6.084 2.428 1.00 0.00 H new ATOM 0 HB THR A 94 8.953 6.769 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.707 8.324 4.694 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.284 6.030 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.145 5.045 3.398 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.122 6.297 2.595 1.00 0.00 H new ATOM 1565 N LYS A 95 7.195 9.103 2.206 1.00 0.00 N ATOM 1566 CA LYS A 95 6.130 10.070 2.445 1.00 0.00 C ATOM 1567 C LYS A 95 4.858 9.673 1.703 1.00 0.00 C ATOM 1568 O LYS A 95 3.749 9.874 2.199 1.00 0.00 O ATOM 1569 CB LYS A 95 6.574 11.468 2.008 1.00 0.00 C ATOM 1570 CG LYS A 95 7.033 12.347 3.158 1.00 0.00 C ATOM 1571 CD LYS A 95 8.089 11.655 4.002 1.00 0.00 C ATOM 1572 CE LYS A 95 8.529 12.526 5.169 1.00 0.00 C ATOM 1573 NZ LYS A 95 9.867 12.127 5.686 1.00 0.00 N ATOM 0 H LYS A 95 7.808 9.336 1.425 1.00 0.00 H new ATOM 0 HA LYS A 95 5.917 10.081 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.386 11.373 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.747 11.959 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.435 13.281 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.178 12.605 3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.694 10.712 4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.952 11.414 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.558 13.569 4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.794 12.456 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.131 12.744 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.833 11.140 6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.573 12.218 4.928 1.00 0.00 H new ATOM 1587 N LEU A 96 5.025 9.109 0.512 1.00 0.00 N ATOM 1588 CA LEU A 96 3.890 8.682 -0.299 1.00 0.00 C ATOM 1589 C LEU A 96 3.263 7.412 0.267 1.00 0.00 C ATOM 1590 O LEU A 96 2.048 7.224 0.199 1.00 0.00 O ATOM 1591 CB LEU A 96 4.331 8.445 -1.745 1.00 0.00 C ATOM 1592 CG LEU A 96 4.943 9.647 -2.465 1.00 0.00 C ATOM 1593 CD1 LEU A 96 4.228 10.929 -2.067 1.00 0.00 C ATOM 1594 CD2 LEU A 96 6.431 9.749 -2.164 1.00 0.00 C ATOM 0 H LEU A 96 5.936 8.937 0.086 1.00 0.00 H new ATOM 0 HA LEU A 96 3.142 9.475 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.058 7.633 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.467 8.106 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 96 4.819 9.504 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.677 11.773 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.174 10.856 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.319 11.078 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.849 10.610 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.578 9.868 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.933 8.842 -2.501 1.00 0.00 H new ATOM 1606 N LEU A 97 4.099 6.545 0.828 1.00 0.00 N ATOM 1607 CA LEU A 97 3.626 5.294 1.410 1.00 0.00 C ATOM 1608 C LEU A 97 2.812 5.553 2.674 1.00 0.00 C ATOM 1609 O LEU A 97 1.609 5.302 2.712 1.00 0.00 O ATOM 1610 CB LEU A 97 4.809 4.378 1.730 1.00 0.00 C ATOM 1611 CG LEU A 97 5.101 3.277 0.710 1.00 0.00 C ATOM 1612 CD1 LEU A 97 5.159 3.854 -0.696 1.00 0.00 C ATOM 1613 CD2 LEU A 97 6.402 2.566 1.051 1.00 0.00 C ATOM 0 H LEU A 97 5.107 6.685 0.892 1.00 0.00 H new ATOM 0 HA LEU A 97 2.982 4.804 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.702 4.994 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.629 3.910 2.698 1.00 0.00 H new ATOM 0 HG LEU A 97 4.291 2.548 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.368 3.056 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.202 4.317 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.948 4.604 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.594 1.786 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.222 3.284 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.323 2.118 2.042 1.00 0.00 H new