USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN :FLIP amide:sc= 0.975 F(o=0.25,f=1) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0.0434 USER MOD Single : A 5 TYR OH : rot 150:sc= -5.51! USER MOD Single : A 11 THR OG1 : rot 42:sc= -0.9 USER MOD Single : A 23 ASN : amide:sc= -3.19 K(o=-3.2,f=-11!) USER MOD Single : A 26 TYR OH : rot -162:sc= 0.662 USER MOD Single : A 37 TYR OH : rot 90:sc= -0.616 USER MOD Single : A 38 GLN : amide:sc= -2.94 K(o=-2.9,f=-3.7!) USER MOD Single : A 41 TYR OH : rot -166:sc= -0.0235 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -1.09 F(o=-1.6,f=-1.1) USER MOD Single : A 49 ASN :FLIP amide:sc= -2.18 F(o=-5.1,f=-2.2) USER MOD Single : A 54 THR OG1 : rot -50:sc= 0.907 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -118:sc= 0.279 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0502 F(o=-0.67,f=-0.05) USER MOD Single : A 69 HIS : no HD1:sc= -0.725 X(o=-0.72,f=-0.61) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.491 F(o=-1.7,f=-0.49) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 4 -1.411 -1.728 -11.359 1.00 0.00 N ATOM 56 CA PRO A 4 -0.182 -1.174 -10.772 1.00 0.00 C ATOM 57 C PRO A 4 -0.221 0.347 -10.655 1.00 0.00 C ATOM 58 O PRO A 4 -1.037 1.007 -11.297 1.00 0.00 O ATOM 59 CB PRO A 4 0.906 -1.593 -11.766 1.00 0.00 C ATOM 60 CG PRO A 4 0.355 -2.796 -12.445 1.00 0.00 C ATOM 61 CD PRO A 4 -1.126 -2.567 -12.538 1.00 0.00 C ATOM 0 HA PRO A 4 -0.024 -1.536 -9.756 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.117 -0.797 -12.480 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.842 -1.820 -11.256 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.794 -2.923 -13.434 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.577 -3.701 -11.879 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.398 -2.064 -13.466 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.681 -3.505 -12.509 1.00 0.00 H new ATOM 69 N TYR A 5 0.679 0.897 -9.843 1.00 0.00 N ATOM 70 CA TYR A 5 0.754 2.345 -9.662 1.00 0.00 C ATOM 71 C TYR A 5 2.191 2.789 -9.459 1.00 0.00 C ATOM 72 O TYR A 5 2.621 3.793 -10.027 1.00 0.00 O ATOM 73 CB TYR A 5 -0.102 2.808 -8.482 1.00 0.00 C ATOM 74 CG TYR A 5 -1.537 3.073 -8.868 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.397 2.026 -9.150 1.00 0.00 C ATOM 76 CD2 TYR A 5 -2.025 4.371 -8.972 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.708 2.257 -9.521 1.00 0.00 C ATOM 78 CE2 TYR A 5 -3.331 4.612 -9.347 1.00 0.00 C ATOM 79 CZ TYR A 5 -4.169 3.553 -9.620 1.00 0.00 C ATOM 80 OH TYR A 5 -5.472 3.789 -9.995 1.00 0.00 O ATOM 0 H TYR A 5 1.362 0.366 -9.303 1.00 0.00 H new ATOM 0 HA TYR A 5 0.364 2.805 -10.570 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.075 2.049 -7.700 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.329 3.716 -8.060 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.037 1.010 -9.079 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.372 5.203 -8.756 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.367 1.428 -9.732 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.694 5.626 -9.426 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.786 4.621 -9.583 1.00 0.00 H new ATOM 90 N VAL A 6 2.940 2.036 -8.658 1.00 0.00 N ATOM 91 CA VAL A 6 4.331 2.373 -8.406 1.00 0.00 C ATOM 92 C VAL A 6 4.457 3.749 -7.758 1.00 0.00 C ATOM 93 O VAL A 6 3.898 4.732 -8.243 1.00 0.00 O ATOM 94 CB VAL A 6 5.135 2.357 -9.711 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.624 2.497 -9.433 1.00 0.00 C ATOM 96 CG2 VAL A 6 4.844 1.089 -10.493 1.00 0.00 C ATOM 0 H VAL A 6 2.609 1.199 -8.179 1.00 0.00 H new ATOM 0 HA VAL A 6 4.729 1.623 -7.723 1.00 0.00 H new ATOM 0 HB VAL A 6 4.829 3.211 -10.316 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.173 2.483 -10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.811 3.439 -8.918 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.957 1.669 -8.807 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.422 1.091 -11.417 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.120 0.221 -9.894 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.781 1.043 -10.730 1.00 0.00 H new ATOM 106 N GLY A 7 5.193 3.812 -6.656 1.00 0.00 N ATOM 107 CA GLY A 7 5.374 5.069 -5.958 1.00 0.00 C ATOM 108 C GLY A 7 5.788 4.870 -4.517 1.00 0.00 C ATOM 109 O GLY A 7 5.382 3.900 -3.883 1.00 0.00 O ATOM 0 H GLY A 7 5.668 3.014 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.130 5.662 -6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.445 5.638 -5.992 1.00 0.00 H new ATOM 113 N ILE A 8 6.588 5.791 -3.988 1.00 0.00 N ATOM 114 CA ILE A 8 7.028 5.692 -2.604 1.00 0.00 C ATOM 115 C ILE A 8 6.112 6.504 -1.709 1.00 0.00 C ATOM 116 O ILE A 8 6.259 7.716 -1.574 1.00 0.00 O ATOM 117 CB ILE A 8 8.493 6.138 -2.433 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.400 5.170 -3.208 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.869 6.200 -0.954 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.503 4.533 -2.383 1.00 0.00 C ATOM 0 H ILE A 8 6.941 6.605 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 8 6.976 4.643 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 8 8.623 7.142 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.783 4.380 -3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.853 5.707 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.907 6.517 -0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.222 6.913 -0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.747 5.214 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.091 3.866 -3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.149 5.311 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.063 3.963 -1.565 1.00 0.00 H new ATOM 132 N TRP A 9 5.159 5.814 -1.116 1.00 0.00 N ATOM 133 CA TRP A 9 4.183 6.440 -0.240 1.00 0.00 C ATOM 134 C TRP A 9 4.688 6.473 1.196 1.00 0.00 C ATOM 135 O TRP A 9 4.776 5.442 1.862 1.00 0.00 O ATOM 136 CB TRP A 9 2.851 5.694 -0.345 1.00 0.00 C ATOM 137 CG TRP A 9 2.397 5.515 -1.771 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.926 4.665 -2.702 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.333 6.212 -2.432 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.256 4.786 -3.898 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.272 5.731 -3.756 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.423 7.195 -2.033 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.340 6.201 -4.678 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.501 7.660 -2.951 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.537 7.162 -4.258 1.00 0.00 C ATOM 0 H TRP A 9 5.037 4.807 -1.225 1.00 0.00 H new ATOM 0 HA TRP A 9 4.030 7.473 -0.553 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.948 4.716 0.127 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.088 6.241 0.209 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.753 3.993 -2.524 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.458 4.260 -4.749 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.441 7.584 -1.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.311 5.820 -5.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.207 8.421 -2.654 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.273 7.545 -4.950 1.00 0.00 H new ATOM 156 N VAL A 10 5.034 7.670 1.657 1.00 0.00 N ATOM 157 CA VAL A 10 5.553 7.855 3.008 1.00 0.00 C ATOM 158 C VAL A 10 4.622 8.722 3.848 1.00 0.00 C ATOM 159 O VAL A 10 3.846 9.518 3.318 1.00 0.00 O ATOM 160 CB VAL A 10 6.959 8.495 2.973 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.454 8.831 4.372 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.943 7.575 2.271 1.00 0.00 C ATOM 0 H VAL A 10 4.964 8.530 1.113 1.00 0.00 H new ATOM 0 HA VAL A 10 5.618 6.868 3.466 1.00 0.00 H new ATOM 0 HB VAL A 10 6.885 9.427 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.446 9.279 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.767 9.535 4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.505 7.920 4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.928 8.041 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.999 6.626 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.609 7.397 1.249 1.00 0.00 H new ATOM 172 N THR A 11 4.709 8.558 5.162 1.00 0.00 N ATOM 173 CA THR A 11 3.878 9.318 6.087 1.00 0.00 C ATOM 174 C THR A 11 4.216 10.808 6.035 1.00 0.00 C ATOM 175 O THR A 11 5.068 11.233 5.255 1.00 0.00 O ATOM 176 CB THR A 11 4.057 8.786 7.509 1.00 0.00 C ATOM 177 OG1 THR A 11 5.350 8.230 7.677 1.00 0.00 O ATOM 178 CG2 THR A 11 3.047 7.722 7.873 1.00 0.00 C ATOM 0 H THR A 11 5.349 7.903 5.612 1.00 0.00 H new ATOM 0 HA THR A 11 2.837 9.197 5.787 1.00 0.00 H new ATOM 0 HB THR A 11 3.911 9.645 8.164 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.013 8.806 7.242 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.226 7.384 8.894 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.041 8.135 7.798 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.145 6.879 7.190 1.00 0.00 H new ATOM 186 N ALA A 12 3.539 11.593 6.868 1.00 0.00 N ATOM 187 CA ALA A 12 3.764 13.035 6.914 1.00 0.00 C ATOM 188 C ALA A 12 4.981 13.384 7.768 1.00 0.00 C ATOM 189 O ALA A 12 5.539 14.474 7.647 1.00 0.00 O ATOM 190 CB ALA A 12 2.525 13.748 7.440 1.00 0.00 C ATOM 0 H ALA A 12 2.831 11.256 7.520 1.00 0.00 H new ATOM 0 HA ALA A 12 3.963 13.374 5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.708 14.822 7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.680 13.541 6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.299 13.392 8.445 1.00 0.00 H new ATOM 196 N ASP A 13 5.388 12.457 8.631 1.00 0.00 N ATOM 197 CA ASP A 13 6.538 12.680 9.497 1.00 0.00 C ATOM 198 C ASP A 13 7.752 11.901 9.002 1.00 0.00 C ATOM 199 O ASP A 13 8.893 12.295 9.243 1.00 0.00 O ATOM 200 CB ASP A 13 6.205 12.270 10.934 1.00 0.00 C ATOM 201 CG ASP A 13 6.724 13.264 11.953 1.00 0.00 C ATOM 202 OD1 ASP A 13 7.960 13.405 12.071 1.00 0.00 O ATOM 203 OD2 ASP A 13 5.895 13.903 12.636 1.00 0.00 O ATOM 0 H ASP A 13 4.940 11.548 8.748 1.00 0.00 H new ATOM 0 HA ASP A 13 6.779 13.743 9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.124 12.175 11.041 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.633 11.288 11.137 1.00 0.00 H new ATOM 208 N GLY A 14 7.500 10.794 8.311 1.00 0.00 N ATOM 209 CA GLY A 14 8.583 9.980 7.800 1.00 0.00 C ATOM 210 C GLY A 14 8.958 8.864 8.752 1.00 0.00 C ATOM 211 O GLY A 14 10.092 8.386 8.743 1.00 0.00 O ATOM 0 H GLY A 14 6.565 10.448 8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.293 9.554 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.454 10.609 7.619 1.00 0.00 H new ATOM 215 N ARG A 15 7.998 8.440 9.571 1.00 0.00 N ATOM 216 CA ARG A 15 8.240 7.361 10.527 1.00 0.00 C ATOM 217 C ARG A 15 8.197 6.014 9.818 1.00 0.00 C ATOM 218 O ARG A 15 8.870 5.067 10.222 1.00 0.00 O ATOM 219 CB ARG A 15 7.234 7.378 11.692 1.00 0.00 C ATOM 220 CG ARG A 15 6.070 8.348 11.526 1.00 0.00 C ATOM 221 CD ARG A 15 5.079 7.855 10.484 1.00 0.00 C ATOM 222 NE ARG A 15 3.886 7.272 11.096 1.00 0.00 N ATOM 223 CZ ARG A 15 2.883 7.992 11.594 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.924 9.318 11.554 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.837 7.384 12.135 1.00 0.00 N ATOM 0 H ARG A 15 7.053 8.823 9.593 1.00 0.00 H new ATOM 0 HA ARG A 15 9.231 7.519 10.951 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.833 6.372 11.821 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.768 7.628 12.609 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.562 8.475 12.482 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.450 9.327 11.234 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.788 8.685 9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.561 7.112 9.849 1.00 0.00 H new ATOM 0 HE ARG A 15 3.818 6.255 11.144 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.727 9.791 11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.152 9.864 11.937 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.801 6.365 12.170 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.068 7.935 12.517 1.00 0.00 H new ATOM 239 N ILE A 16 7.412 5.941 8.747 1.00 0.00 N ATOM 240 CA ILE A 16 7.296 4.713 7.972 1.00 0.00 C ATOM 241 C ILE A 16 7.263 5.031 6.481 1.00 0.00 C ATOM 242 O ILE A 16 6.925 6.144 6.084 1.00 0.00 O ATOM 243 CB ILE A 16 6.051 3.873 8.375 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.896 4.062 7.384 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.598 4.217 9.784 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.978 3.129 6.197 1.00 0.00 C ATOM 0 H ILE A 16 6.849 6.716 8.398 1.00 0.00 H new ATOM 0 HA ILE A 16 8.175 4.108 8.193 1.00 0.00 H new ATOM 0 HB ILE A 16 6.346 2.824 8.349 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.950 3.901 7.901 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.894 5.093 7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.726 3.616 10.043 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.404 4.007 10.487 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.338 5.274 9.835 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.134 3.311 5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.909 3.307 5.658 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.951 2.096 6.544 1.00 0.00 H new ATOM 258 N ARG A 17 7.623 4.052 5.663 1.00 0.00 N ATOM 259 CA ARG A 17 7.642 4.243 4.218 1.00 0.00 C ATOM 260 C ARG A 17 7.066 3.026 3.501 1.00 0.00 C ATOM 261 O ARG A 17 7.300 1.887 3.905 1.00 0.00 O ATOM 262 CB ARG A 17 9.081 4.526 3.758 1.00 0.00 C ATOM 263 CG ARG A 17 9.466 3.900 2.423 1.00 0.00 C ATOM 264 CD ARG A 17 10.957 4.025 2.166 1.00 0.00 C ATOM 265 NE ARG A 17 11.737 3.096 2.981 1.00 0.00 N ATOM 266 CZ ARG A 17 12.239 3.395 4.178 1.00 0.00 C ATOM 267 NH1 ARG A 17 12.040 4.593 4.715 1.00 0.00 N ATOM 268 NH2 ARG A 17 12.941 2.487 4.845 1.00 0.00 N ATOM 0 H ARG A 17 7.905 3.122 5.972 1.00 0.00 H new ATOM 0 HA ARG A 17 7.016 5.098 3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.219 5.605 3.689 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.768 4.165 4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.180 2.848 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.914 4.386 1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.159 3.838 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.276 5.046 2.376 1.00 0.00 H new ATOM 0 HE ARG A 17 11.907 2.161 2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.498 5.295 4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.429 4.812 5.632 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.095 1.563 4.441 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.327 2.713 5.762 1.00 0.00 H new ATOM 282 N GLN A 18 6.318 3.275 2.430 1.00 0.00 N ATOM 283 CA GLN A 18 5.714 2.204 1.648 1.00 0.00 C ATOM 284 C GLN A 18 5.990 2.403 0.165 1.00 0.00 C ATOM 285 O GLN A 18 5.490 3.346 -0.448 1.00 0.00 O ATOM 286 CB GLN A 18 4.209 2.138 1.910 1.00 0.00 C ATOM 287 CG GLN A 18 3.561 0.857 1.409 1.00 0.00 C ATOM 288 CD GLN A 18 2.116 1.057 0.997 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.893 1.942 0.030 1.00 0.00 O flip ATOM 290 NE2 GLN A 18 1.210 0.427 1.540 1.00 0.00 N flip ATOM 0 H GLN A 18 6.116 4.213 2.084 1.00 0.00 H new ATOM 0 HA GLN A 18 6.161 1.258 1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.030 2.231 2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.727 2.991 1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.128 0.476 0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.610 0.099 2.191 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.426 -0.243 2.278 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.243 0.574 1.252 1.00 0.00 H new ATOM 299 N GLU A 19 6.800 1.516 -0.411 1.00 0.00 N ATOM 300 CA GLU A 19 7.149 1.612 -1.822 1.00 0.00 C ATOM 301 C GLU A 19 6.242 0.755 -2.682 1.00 0.00 C ATOM 302 O GLU A 19 6.104 -0.448 -2.457 1.00 0.00 O ATOM 303 CB GLU A 19 8.598 1.182 -2.057 1.00 0.00 C ATOM 304 CG GLU A 19 9.020 1.217 -3.517 1.00 0.00 C ATOM 305 CD GLU A 19 10.497 0.928 -3.705 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.272 1.156 -2.753 1.00 0.00 O ATOM 307 OE2 GLU A 19 10.877 0.472 -4.804 1.00 0.00 O ATOM 0 H GLU A 19 7.224 0.727 0.077 1.00 0.00 H new ATOM 0 HA GLU A 19 7.024 2.657 -2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.258 1.832 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.734 0.171 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.437 0.487 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.789 2.197 -3.934 1.00 0.00 H new ATOM 314 N LEU A 20 5.666 1.370 -3.700 1.00 0.00 N ATOM 315 CA LEU A 20 4.824 0.650 -4.631 1.00 0.00 C ATOM 316 C LEU A 20 5.703 0.177 -5.777 1.00 0.00 C ATOM 317 O LEU A 20 6.301 0.977 -6.497 1.00 0.00 O ATOM 318 CB LEU A 20 3.654 1.516 -5.111 1.00 0.00 C ATOM 319 CG LEU A 20 2.549 1.743 -4.073 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.255 2.167 -4.744 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.318 0.500 -3.227 1.00 0.00 C ATOM 0 H LEU A 20 5.767 2.365 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 20 4.368 -0.212 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.043 2.485 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.214 1.050 -5.992 1.00 0.00 H new ATOM 0 HG LEU A 20 2.881 2.546 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.486 2.322 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.417 3.095 -5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.932 1.389 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.528 0.695 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.022 -0.328 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.237 0.241 -2.702 1.00 0.00 H new ATOM 333 N LEU A 21 5.841 -1.132 -5.874 1.00 0.00 N ATOM 334 CA LEU A 21 6.716 -1.748 -6.857 1.00 0.00 C ATOM 335 C LEU A 21 6.256 -1.565 -8.296 1.00 0.00 C ATOM 336 O LEU A 21 5.077 -1.350 -8.570 1.00 0.00 O ATOM 337 CB LEU A 21 6.867 -3.231 -6.533 1.00 0.00 C ATOM 338 CG LEU A 21 8.163 -3.619 -5.797 1.00 0.00 C ATOM 339 CD1 LEU A 21 8.914 -2.387 -5.291 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.849 -4.548 -4.639 1.00 0.00 C ATOM 0 H LEU A 21 5.352 -1.798 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 21 7.677 -1.238 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.017 -3.541 -5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.815 -3.796 -7.464 1.00 0.00 H new ATOM 0 HG LEU A 21 8.807 -4.134 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.823 -2.700 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.176 -1.749 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.279 -1.832 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.773 -4.815 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.179 -4.046 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.369 -5.451 -5.017 1.00 0.00 H new ATOM 352 N PRO A 22 7.222 -1.662 -9.234 1.00 0.00 N ATOM 353 CA PRO A 22 6.971 -1.516 -10.672 1.00 0.00 C ATOM 354 C PRO A 22 6.053 -2.601 -11.216 1.00 0.00 C ATOM 355 O PRO A 22 5.484 -2.458 -12.299 1.00 0.00 O ATOM 356 CB PRO A 22 8.366 -1.634 -11.304 1.00 0.00 C ATOM 357 CG PRO A 22 9.322 -1.395 -10.185 1.00 0.00 C ATOM 358 CD PRO A 22 8.646 -1.930 -8.959 1.00 0.00 C ATOM 0 HA PRO A 22 6.468 -0.575 -10.895 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.516 -2.619 -11.747 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.501 -0.902 -12.101 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.270 -1.903 -10.364 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.544 -0.333 -10.079 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.839 -2.994 -8.821 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.986 -1.425 -8.055 1.00 0.00 H new ATOM 366 N ASN A 23 5.904 -3.686 -10.463 1.00 0.00 N ATOM 367 CA ASN A 23 5.049 -4.782 -10.884 1.00 0.00 C ATOM 368 C ASN A 23 3.664 -4.662 -10.256 1.00 0.00 C ATOM 369 O ASN A 23 2.949 -5.654 -10.111 1.00 0.00 O ATOM 370 CB ASN A 23 5.684 -6.121 -10.515 1.00 0.00 C ATOM 371 CG ASN A 23 5.825 -6.313 -9.018 1.00 0.00 C ATOM 372 OD1 ASN A 23 5.521 -5.416 -8.233 1.00 0.00 O ATOM 373 ND2 ASN A 23 6.289 -7.491 -8.616 1.00 0.00 N ATOM 0 H ASN A 23 6.363 -3.827 -9.563 1.00 0.00 H new ATOM 0 HA ASN A 23 4.938 -4.732 -11.967 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.079 -6.930 -10.925 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.667 -6.192 -10.980 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.406 -7.680 -7.621 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.529 -8.206 -9.303 1.00 0.00 H new ATOM 380 N GLY A 24 3.293 -3.440 -9.880 1.00 0.00 N ATOM 381 CA GLY A 24 1.999 -3.214 -9.271 1.00 0.00 C ATOM 382 C GLY A 24 1.896 -3.861 -7.910 1.00 0.00 C ATOM 383 O GLY A 24 0.979 -4.642 -7.651 1.00 0.00 O ATOM 0 H GLY A 24 3.868 -2.604 -9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.824 -2.142 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.218 -3.609 -9.921 1.00 0.00 H new ATOM 387 N ARG A 25 2.845 -3.544 -7.039 1.00 0.00 N ATOM 388 CA ARG A 25 2.860 -4.112 -5.695 1.00 0.00 C ATOM 389 C ARG A 25 3.330 -3.094 -4.673 1.00 0.00 C ATOM 390 O ARG A 25 3.607 -1.947 -5.014 1.00 0.00 O ATOM 391 CB ARG A 25 3.744 -5.353 -5.663 1.00 0.00 C ATOM 392 CG ARG A 25 3.369 -6.354 -6.735 1.00 0.00 C ATOM 393 CD ARG A 25 1.968 -6.907 -6.510 1.00 0.00 C ATOM 394 NE ARG A 25 1.992 -8.305 -6.085 1.00 0.00 N ATOM 395 CZ ARG A 25 2.164 -9.330 -6.917 1.00 0.00 C ATOM 396 NH1 ARG A 25 2.326 -9.119 -8.217 1.00 0.00 N ATOM 397 NH2 ARG A 25 2.174 -10.570 -6.448 1.00 0.00 N ATOM 0 H ARG A 25 3.611 -2.900 -7.236 1.00 0.00 H new ATOM 0 HA ARG A 25 1.841 -4.397 -5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.785 -5.058 -5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.667 -5.826 -4.684 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.422 -5.878 -7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.089 -7.172 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.459 -6.308 -5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.391 -6.818 -7.431 1.00 0.00 H new ATOM 0 HE ARG A 25 1.870 -8.507 -5.093 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.319 -8.167 -8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.457 -9.908 -8.849 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.050 -10.739 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.306 -11.355 -7.085 1.00 0.00 H new ATOM 411 N TYR A 26 3.388 -3.505 -3.411 1.00 0.00 N ATOM 412 CA TYR A 26 3.793 -2.599 -2.345 1.00 0.00 C ATOM 413 C TYR A 26 4.763 -3.248 -1.363 1.00 0.00 C ATOM 414 O TYR A 26 4.721 -4.454 -1.123 1.00 0.00 O ATOM 415 CB TYR A 26 2.544 -2.077 -1.625 1.00 0.00 C ATOM 416 CG TYR A 26 2.167 -2.829 -0.374 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.924 -2.721 0.778 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.041 -3.637 -0.353 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.574 -3.400 1.927 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.680 -4.323 0.789 1.00 0.00 C ATOM 421 CZ TYR A 26 1.450 -4.202 1.928 1.00 0.00 C ATOM 422 OH TYR A 26 1.094 -4.883 3.070 1.00 0.00 O ATOM 0 H TYR A 26 3.162 -4.451 -3.104 1.00 0.00 H new ATOM 0 HA TYR A 26 4.332 -1.765 -2.795 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.703 -1.030 -1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.703 -2.110 -2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.804 -2.095 0.778 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.437 -3.731 -1.243 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.175 -3.305 2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.199 -4.950 0.791 1.00 0.00 H new ATOM 0 HH TYR A 26 0.479 -5.610 2.839 1.00 0.00 H new ATOM 432 N ASP A 27 5.626 -2.413 -0.794 1.00 0.00 N ATOM 433 CA ASP A 27 6.618 -2.847 0.181 1.00 0.00 C ATOM 434 C ASP A 27 6.870 -1.726 1.181 1.00 0.00 C ATOM 435 O ASP A 27 7.412 -0.682 0.821 1.00 0.00 O ATOM 436 CB ASP A 27 7.924 -3.219 -0.521 1.00 0.00 C ATOM 437 CG ASP A 27 8.201 -4.710 -0.481 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.605 -5.446 -1.295 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.013 -5.140 0.365 1.00 0.00 O ATOM 0 H ASP A 27 5.657 -1.414 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 27 6.241 -3.725 0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.882 -2.888 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.750 -2.686 -0.050 1.00 0.00 H new ATOM 444 N GLU A 28 6.464 -1.928 2.430 1.00 0.00 N ATOM 445 CA GLU A 28 6.645 -0.899 3.444 1.00 0.00 C ATOM 446 C GLU A 28 7.795 -1.225 4.387 1.00 0.00 C ATOM 447 O GLU A 28 7.900 -2.334 4.909 1.00 0.00 O ATOM 448 CB GLU A 28 5.330 -0.675 4.214 1.00 0.00 C ATOM 449 CG GLU A 28 5.498 -0.394 5.703 1.00 0.00 C ATOM 450 CD GLU A 28 4.206 -0.573 6.476 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.764 -1.730 6.635 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.638 0.444 6.925 1.00 0.00 O ATOM 0 H GLU A 28 6.014 -2.782 2.760 1.00 0.00 H new ATOM 0 HA GLU A 28 6.912 0.029 2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.797 0.160 3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.701 -1.557 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.258 -1.060 6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.861 0.625 5.839 1.00 0.00 H new ATOM 459 N ALA A 29 8.645 -0.227 4.605 1.00 0.00 N ATOM 460 CA ALA A 29 9.788 -0.366 5.493 1.00 0.00 C ATOM 461 C ALA A 29 9.714 0.666 6.611 1.00 0.00 C ATOM 462 O ALA A 29 9.964 1.852 6.392 1.00 0.00 O ATOM 463 CB ALA A 29 11.084 -0.207 4.711 1.00 0.00 C ATOM 0 H ALA A 29 8.560 0.693 4.174 1.00 0.00 H new ATOM 0 HA ALA A 29 9.769 -1.362 5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.932 -0.313 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.138 -0.973 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.111 0.779 4.248 1.00 0.00 H new ATOM 469 N ARG A 30 9.360 0.210 7.804 1.00 0.00 N ATOM 470 CA ARG A 30 9.245 1.097 8.955 1.00 0.00 C ATOM 471 C ARG A 30 10.506 1.055 9.812 1.00 0.00 C ATOM 472 O ARG A 30 11.177 0.026 9.895 1.00 0.00 O ATOM 473 CB ARG A 30 8.024 0.715 9.792 1.00 0.00 C ATOM 474 CG ARG A 30 6.779 0.453 8.960 1.00 0.00 C ATOM 475 CD ARG A 30 5.516 0.867 9.697 1.00 0.00 C ATOM 476 NE ARG A 30 4.797 -0.282 10.244 1.00 0.00 N ATOM 477 CZ ARG A 30 5.100 -0.863 11.405 1.00 0.00 C ATOM 478 NH1 ARG A 30 6.104 -0.408 12.143 1.00 0.00 N ATOM 479 NH2 ARG A 30 4.394 -1.903 11.826 1.00 0.00 N ATOM 0 H ARG A 30 9.147 -0.768 8.001 1.00 0.00 H new ATOM 0 HA ARG A 30 9.122 2.116 8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.257 -0.176 10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.815 1.515 10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.848 0.999 8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.724 -0.606 8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.776 1.550 10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.862 1.413 9.017 1.00 0.00 H new ATOM 0 HE ARG A 30 4.018 -0.661 9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.650 0.392 11.823 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.330 -0.858 13.030 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.621 -2.257 11.262 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.624 -2.350 12.714 1.00 0.00 H new ATOM 571 N ALA A 36 8.386 -4.919 6.896 1.00 0.00 N ATOM 572 CA ALA A 36 7.300 -5.270 7.802 1.00 0.00 C ATOM 573 C ALA A 36 6.188 -6.026 7.081 1.00 0.00 C ATOM 574 O ALA A 36 5.775 -7.100 7.513 1.00 0.00 O ATOM 575 CB ALA A 36 6.749 -4.012 8.460 1.00 0.00 C ATOM 0 HA ALA A 36 7.700 -5.932 8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.937 -4.281 9.136 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.542 -3.519 9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.373 -3.335 7.693 1.00 0.00 H new ATOM 581 N TYR A 37 5.703 -5.453 5.984 1.00 0.00 N ATOM 582 CA TYR A 37 4.631 -6.068 5.212 1.00 0.00 C ATOM 583 C TYR A 37 4.720 -5.702 3.733 1.00 0.00 C ATOM 584 O TYR A 37 5.242 -4.648 3.367 1.00 0.00 O ATOM 585 CB TYR A 37 3.272 -5.641 5.770 1.00 0.00 C ATOM 586 CG TYR A 37 2.451 -6.793 6.291 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.792 -7.423 7.479 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.342 -7.254 5.596 1.00 0.00 C ATOM 589 CE1 TYR A 37 2.048 -8.483 7.961 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.592 -8.314 6.070 1.00 0.00 C ATOM 591 CZ TYR A 37 0.950 -8.926 7.253 1.00 0.00 C ATOM 592 OH TYR A 37 0.207 -9.982 7.729 1.00 0.00 O ATOM 0 H TYR A 37 6.036 -4.564 5.610 1.00 0.00 H new ATOM 0 HA TYR A 37 4.739 -7.149 5.298 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.427 -4.922 6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.711 -5.129 4.988 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.652 -7.080 8.035 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.060 -6.777 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.325 -8.963 8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.269 -8.661 5.518 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.507 -9.644 8.309 1.00 0.00 H new ATOM 602 N GLN A 38 4.186 -6.582 2.892 1.00 0.00 N ATOM 603 CA GLN A 38 4.174 -6.375 1.446 1.00 0.00 C ATOM 604 C GLN A 38 3.137 -7.285 0.803 1.00 0.00 C ATOM 605 O GLN A 38 2.866 -8.376 1.306 1.00 0.00 O ATOM 606 CB GLN A 38 5.552 -6.646 0.826 1.00 0.00 C ATOM 607 CG GLN A 38 6.667 -6.864 1.838 1.00 0.00 C ATOM 608 CD GLN A 38 7.899 -7.496 1.220 1.00 0.00 C ATOM 609 OE1 GLN A 38 8.052 -7.522 -0.001 1.00 0.00 O ATOM 610 NE2 GLN A 38 8.786 -8.013 2.063 1.00 0.00 N ATOM 0 H GLN A 38 3.751 -7.455 3.191 1.00 0.00 H new ATOM 0 HA GLN A 38 3.918 -5.332 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.482 -7.526 0.186 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.819 -5.806 0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.939 -5.908 2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.302 -7.501 2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.619 -7.970 3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.634 -8.453 1.705 1.00 0.00 H new ATOM 619 N GLY A 39 2.555 -6.838 -0.304 1.00 0.00 N ATOM 620 CA GLY A 39 1.554 -7.653 -0.970 1.00 0.00 C ATOM 621 C GLY A 39 1.152 -7.110 -2.323 1.00 0.00 C ATOM 622 O GLY A 39 1.984 -6.970 -3.219 1.00 0.00 O ATOM 0 H GLY A 39 2.753 -5.941 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.940 -8.665 -1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.670 -7.723 -0.336 1.00 0.00 H new ATOM 626 N ARG A 40 -0.133 -6.806 -2.472 1.00 0.00 N ATOM 627 CA ARG A 40 -0.653 -6.279 -3.721 1.00 0.00 C ATOM 628 C ARG A 40 -1.899 -5.456 -3.448 1.00 0.00 C ATOM 629 O ARG A 40 -2.479 -5.542 -2.366 1.00 0.00 O ATOM 630 CB ARG A 40 -0.969 -7.420 -4.692 1.00 0.00 C ATOM 631 CG ARG A 40 -2.151 -8.279 -4.268 1.00 0.00 C ATOM 632 CD ARG A 40 -1.713 -9.679 -3.872 1.00 0.00 C ATOM 633 NE ARG A 40 -1.147 -10.416 -4.999 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.866 -10.874 -6.020 1.00 0.00 C ATOM 635 NH1 ARG A 40 -3.177 -10.673 -6.061 1.00 0.00 N ATOM 636 NH2 ARG A 40 -1.273 -11.536 -7.004 1.00 0.00 N ATOM 0 H ARG A 40 -0.833 -6.917 -1.738 1.00 0.00 H new ATOM 0 HA ARG A 40 0.102 -5.640 -4.179 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.172 -7.000 -5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.088 -8.054 -4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.662 -7.806 -3.429 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.869 -8.340 -5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.974 -9.615 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.567 -10.227 -3.473 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.142 -10.590 -5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.639 -10.165 -5.307 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.723 -11.027 -6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.266 -11.694 -6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.824 -11.887 -7.787 1.00 0.00 H new ATOM 650 N TYR A 41 -2.305 -4.652 -4.416 1.00 0.00 N ATOM 651 CA TYR A 41 -3.481 -3.817 -4.236 1.00 0.00 C ATOM 652 C TYR A 41 -4.342 -3.756 -5.484 1.00 0.00 C ATOM 653 O TYR A 41 -3.863 -3.918 -6.607 1.00 0.00 O ATOM 654 CB TYR A 41 -3.072 -2.401 -3.847 1.00 0.00 C ATOM 655 CG TYR A 41 -1.837 -1.905 -4.560 1.00 0.00 C ATOM 656 CD1 TYR A 41 -1.928 -1.263 -5.791 1.00 0.00 C ATOM 657 CD2 TYR A 41 -0.580 -2.082 -4.004 1.00 0.00 C ATOM 658 CE1 TYR A 41 -0.798 -0.813 -6.444 1.00 0.00 C ATOM 659 CE2 TYR A 41 0.552 -1.634 -4.650 1.00 0.00 C ATOM 660 CZ TYR A 41 0.440 -1.000 -5.869 1.00 0.00 C ATOM 661 OH TYR A 41 1.569 -0.552 -6.516 1.00 0.00 O ATOM 0 H TYR A 41 -1.846 -4.560 -5.322 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.069 -4.272 -3.439 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.899 -1.723 -4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.898 -2.366 -2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.898 -1.114 -6.243 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.486 -2.579 -3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.884 -0.317 -7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.524 -1.779 -4.202 1.00 0.00 H new ATOM 0 HH TYR A 41 2.363 -0.949 -6.101 1.00 0.00 H new ATOM 671 N GLU A 42 -5.618 -3.485 -5.264 1.00 0.00 N ATOM 672 CA GLU A 42 -6.579 -3.349 -6.348 1.00 0.00 C ATOM 673 C GLU A 42 -7.175 -1.950 -6.303 1.00 0.00 C ATOM 674 O GLU A 42 -7.649 -1.509 -5.260 1.00 0.00 O ATOM 675 CB GLU A 42 -7.682 -4.405 -6.225 1.00 0.00 C ATOM 676 CG GLU A 42 -7.978 -5.129 -7.529 1.00 0.00 C ATOM 677 CD GLU A 42 -9.412 -4.947 -7.987 1.00 0.00 C ATOM 678 OE1 GLU A 42 -10.015 -3.905 -7.650 1.00 0.00 O ATOM 679 OE2 GLU A 42 -9.933 -5.843 -8.681 1.00 0.00 O ATOM 0 H GLU A 42 -6.016 -3.354 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.075 -3.502 -7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.391 -5.136 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.594 -3.926 -5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.304 -4.763 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.773 -6.192 -7.404 1.00 0.00 H new ATOM 686 N VAL A 43 -7.130 -1.246 -7.425 1.00 0.00 N ATOM 687 CA VAL A 43 -7.645 0.117 -7.482 1.00 0.00 C ATOM 688 C VAL A 43 -8.995 0.191 -8.190 1.00 0.00 C ATOM 689 O VAL A 43 -9.172 -0.355 -9.279 1.00 0.00 O ATOM 690 CB VAL A 43 -6.635 1.055 -8.176 1.00 0.00 C ATOM 691 CG1 VAL A 43 -7.234 2.437 -8.410 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.357 1.154 -7.354 1.00 0.00 C ATOM 0 H VAL A 43 -6.745 -1.592 -8.304 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.790 0.445 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.392 0.631 -9.150 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.498 3.074 -8.900 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.117 2.348 -9.043 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.516 2.878 -7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.653 1.819 -7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.590 1.550 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.912 0.164 -7.253 1.00 0.00 H new ATOM 702 N ARG A 44 -9.939 0.877 -7.554 1.00 0.00 N ATOM 703 CA ARG A 44 -11.281 1.043 -8.105 1.00 0.00 C ATOM 704 C ARG A 44 -11.821 2.436 -7.801 1.00 0.00 C ATOM 705 O ARG A 44 -12.288 2.702 -6.694 1.00 0.00 O ATOM 706 CB ARG A 44 -12.223 -0.013 -7.527 1.00 0.00 C ATOM 707 CG ARG A 44 -13.389 -0.353 -8.439 1.00 0.00 C ATOM 708 CD ARG A 44 -12.962 -1.279 -9.567 1.00 0.00 C ATOM 709 NE ARG A 44 -13.637 -0.958 -10.822 1.00 0.00 N ATOM 710 CZ ARG A 44 -13.555 -1.706 -11.921 1.00 0.00 C ATOM 711 NH1 ARG A 44 -12.830 -2.817 -11.923 1.00 0.00 N ATOM 712 NH2 ARG A 44 -14.201 -1.342 -13.021 1.00 0.00 N ATOM 0 H ARG A 44 -9.799 1.330 -6.651 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.223 0.919 -9.186 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.656 -0.921 -7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.611 0.342 -6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.181 -0.826 -7.858 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.805 0.564 -8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.883 -1.207 -9.707 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.180 -2.311 -9.291 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.204 -0.111 -10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.332 -3.102 -11.080 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.771 -3.386 -12.768 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.761 -0.489 -13.025 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.138 -1.915 -13.863 1.00 0.00 H new ATOM 726 N GLY A 45 -11.754 3.325 -8.789 1.00 0.00 N ATOM 727 CA GLY A 45 -12.241 4.680 -8.598 1.00 0.00 C ATOM 728 C GLY A 45 -11.542 5.389 -7.452 1.00 0.00 C ATOM 729 O GLY A 45 -12.184 6.064 -6.647 1.00 0.00 O ATOM 0 H GLY A 45 -11.373 3.132 -9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.095 5.249 -9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.314 4.654 -8.406 1.00 0.00 H new ATOM 733 N ALA A 46 -10.221 5.223 -7.376 1.00 0.00 N ATOM 734 CA ALA A 46 -9.411 5.835 -6.323 1.00 0.00 C ATOM 735 C ALA A 46 -9.450 5.018 -5.034 1.00 0.00 C ATOM 736 O ALA A 46 -8.697 5.292 -4.099 1.00 0.00 O ATOM 737 CB ALA A 46 -9.850 7.269 -6.057 1.00 0.00 C ATOM 0 H ALA A 46 -9.685 4.663 -8.039 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.381 5.849 -6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.231 7.699 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.740 7.858 -6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.894 7.278 -5.743 1.00 0.00 H new ATOM 743 N HIS A 47 -10.309 4.001 -4.989 1.00 0.00 N ATOM 744 CA HIS A 47 -10.412 3.144 -3.817 1.00 0.00 C ATOM 745 C HIS A 47 -9.518 1.926 -3.997 1.00 0.00 C ATOM 746 O HIS A 47 -9.596 1.241 -5.016 1.00 0.00 O ATOM 747 CB HIS A 47 -11.861 2.707 -3.596 1.00 0.00 C ATOM 748 CG HIS A 47 -12.451 3.210 -2.315 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.923 4.434 -1.977 1.00 0.00 N flip ATOM 750 CD2 HIS A 47 -12.611 2.419 -1.197 1.00 0.00 C flip ATOM 751 CE1 HIS A 47 -13.352 4.360 -0.675 1.00 0.00 C flip ATOM 752 NE2 HIS A 47 -13.154 3.133 -0.227 1.00 0.00 N flip ATOM 0 H HIS A 47 -10.941 3.754 -5.750 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.087 3.704 -2.940 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.469 3.060 -4.429 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.909 1.618 -3.605 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.335 1.377 -1.125 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.782 5.173 -0.109 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.381 2.795 0.708 1.00 0.00 H new ATOM 761 N ILE A 48 -8.653 1.666 -3.024 1.00 0.00 N ATOM 762 CA ILE A 48 -7.742 0.535 -3.127 1.00 0.00 C ATOM 763 C ILE A 48 -7.635 -0.237 -1.819 1.00 0.00 C ATOM 764 O ILE A 48 -7.734 0.332 -0.734 1.00 0.00 O ATOM 765 CB ILE A 48 -6.331 0.988 -3.596 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.211 0.112 -2.998 1.00 0.00 C ATOM 767 CG2 ILE A 48 -6.096 2.455 -3.264 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.724 0.559 -1.630 1.00 0.00 C ATOM 0 H ILE A 48 -8.564 2.214 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.163 -0.135 -3.877 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.298 0.864 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.570 -0.914 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.366 0.105 -3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.102 2.750 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.846 3.066 -3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.171 2.601 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.938 -0.113 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.331 1.573 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.554 0.538 -0.924 1.00 0.00 H new ATOM 780 N ASN A 49 -7.406 -1.539 -1.943 1.00 0.00 N ATOM 781 CA ASN A 49 -7.254 -2.412 -0.791 1.00 0.00 C ATOM 782 C ASN A 49 -6.027 -3.301 -0.972 1.00 0.00 C ATOM 783 O ASN A 49 -5.724 -3.735 -2.083 1.00 0.00 O ATOM 784 CB ASN A 49 -8.503 -3.277 -0.584 1.00 0.00 C ATOM 785 CG ASN A 49 -9.699 -2.798 -1.390 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.098 -1.550 -1.173 1.00 0.00 O flip ATOM 787 ND2 ASN A 49 -10.257 -3.542 -2.197 1.00 0.00 N flip ATOM 0 H ASN A 49 -7.321 -2.015 -2.841 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.123 -1.789 0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.275 -4.306 -0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.764 -3.281 0.474 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.917 -4.494 -2.332 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.059 -3.206 -2.730 1.00 0.00 H new ATOM 794 N TYR A 50 -5.330 -3.569 0.122 1.00 0.00 N ATOM 795 CA TYR A 50 -4.141 -4.403 0.095 1.00 0.00 C ATOM 796 C TYR A 50 -4.486 -5.814 0.531 1.00 0.00 C ATOM 797 O TYR A 50 -4.851 -6.035 1.680 1.00 0.00 O ATOM 798 CB TYR A 50 -3.082 -3.838 1.049 1.00 0.00 C ATOM 799 CG TYR A 50 -2.536 -2.484 0.655 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.923 -2.287 -0.576 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.633 -1.398 1.520 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.422 -1.048 -0.933 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.133 -0.159 1.169 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.530 0.011 -0.057 1.00 0.00 C ATOM 805 OH TYR A 50 -1.031 1.244 -0.410 1.00 0.00 O ATOM 0 H TYR A 50 -5.572 -3.216 1.048 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.751 -4.416 -0.923 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.514 -3.764 2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.254 -4.545 1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.836 -3.114 -1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.107 -1.526 2.482 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.948 -0.911 -1.894 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.215 0.673 1.853 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.188 1.881 0.318 1.00 0.00 H new ATOM 815 N TRP A 51 -4.361 -6.771 -0.376 1.00 0.00 N ATOM 816 CA TRP A 51 -4.654 -8.156 -0.043 1.00 0.00 C ATOM 817 C TRP A 51 -3.362 -8.962 0.011 1.00 0.00 C ATOM 818 O TRP A 51 -2.912 -9.504 -0.998 1.00 0.00 O ATOM 819 CB TRP A 51 -5.631 -8.763 -1.055 1.00 0.00 C ATOM 820 CG TRP A 51 -5.824 -10.242 -0.893 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.381 -10.885 0.175 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.457 -11.263 -1.829 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.384 -12.241 -0.039 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.823 -12.498 -1.264 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.857 -11.251 -3.092 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.608 -13.710 -1.917 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.644 -12.453 -3.738 1.00 0.00 C ATOM 828 CH2 TRP A 51 -5.018 -13.668 -3.151 1.00 0.00 C ATOM 0 H TRP A 51 -4.062 -6.616 -1.339 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.127 -8.187 0.938 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.596 -8.267 -0.958 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.269 -8.561 -2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -6.764 -10.398 1.060 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.745 -12.943 0.607 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.566 -10.319 -3.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.896 -14.648 -1.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.181 -12.456 -4.714 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.837 -14.590 -3.683 1.00 0.00 H new ATOM 839 N ASP A 52 -2.763 -9.017 1.193 1.00 0.00 N ATOM 840 CA ASP A 52 -1.508 -9.735 1.382 1.00 0.00 C ATOM 841 C ASP A 52 -1.684 -11.236 1.205 1.00 0.00 C ATOM 842 O ASP A 52 -2.788 -11.768 1.333 1.00 0.00 O ATOM 843 CB ASP A 52 -0.929 -9.456 2.770 1.00 0.00 C ATOM 844 CG ASP A 52 -0.154 -8.156 2.820 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.779 -7.084 2.665 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.079 -8.206 3.012 1.00 0.00 O ATOM 0 H ASP A 52 -3.126 -8.573 2.037 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.818 -9.375 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.739 -9.422 3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.274 -10.278 3.060 1.00 0.00 H new ATOM 851 N ASP A 53 -0.579 -11.911 0.917 1.00 0.00 N ATOM 852 CA ASP A 53 -0.585 -13.355 0.731 1.00 0.00 C ATOM 853 C ASP A 53 -0.460 -14.080 2.071 1.00 0.00 C ATOM 854 O ASP A 53 -0.672 -15.290 2.150 1.00 0.00 O ATOM 855 CB ASP A 53 0.554 -13.775 -0.200 1.00 0.00 C ATOM 856 CG ASP A 53 0.147 -14.884 -1.149 1.00 0.00 C ATOM 857 OD1 ASP A 53 -0.724 -15.697 -0.773 1.00 0.00 O ATOM 858 OD2 ASP A 53 0.700 -14.943 -2.267 1.00 0.00 O ATOM 0 H ASP A 53 0.338 -11.478 0.807 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.536 -13.633 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.886 -12.911 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.404 -14.105 0.397 1.00 0.00 H new ATOM 863 N THR A 54 -0.106 -13.338 3.122 1.00 0.00 N ATOM 864 CA THR A 54 0.052 -13.926 4.449 1.00 0.00 C ATOM 865 C THR A 54 -1.245 -13.864 5.253 1.00 0.00 C ATOM 866 O THR A 54 -1.227 -13.895 6.482 1.00 0.00 O ATOM 867 CB THR A 54 1.180 -13.232 5.212 1.00 0.00 C ATOM 868 OG1 THR A 54 1.430 -13.889 6.443 1.00 0.00 O ATOM 869 CG2 THR A 54 0.893 -11.779 5.520 1.00 0.00 C ATOM 0 H THR A 54 0.075 -12.335 3.079 1.00 0.00 H new ATOM 0 HA THR A 54 0.309 -14.976 4.312 1.00 0.00 H new ATOM 0 HB THR A 54 2.046 -13.282 4.552 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.586 -14.012 6.925 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.735 -11.349 6.062 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.744 -11.232 4.589 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.007 -11.707 6.131 1.00 0.00 H new ATOM 877 N GLY A 55 -2.366 -13.807 4.546 1.00 0.00 N ATOM 878 CA GLY A 55 -3.662 -13.778 5.202 1.00 0.00 C ATOM 879 C GLY A 55 -4.043 -12.425 5.782 1.00 0.00 C ATOM 880 O GLY A 55 -4.830 -12.363 6.727 1.00 0.00 O ATOM 0 H GLY A 55 -2.402 -13.780 3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.425 -14.080 4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.667 -14.517 6.003 1.00 0.00 H new ATOM 884 N PHE A 56 -3.515 -11.337 5.225 1.00 0.00 N ATOM 885 CA PHE A 56 -3.849 -10.012 5.713 1.00 0.00 C ATOM 886 C PHE A 56 -4.490 -9.197 4.602 1.00 0.00 C ATOM 887 O PHE A 56 -4.371 -9.528 3.422 1.00 0.00 O ATOM 888 CB PHE A 56 -2.591 -9.298 6.247 1.00 0.00 C ATOM 889 CG PHE A 56 -2.558 -7.803 6.017 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.547 -7.278 4.730 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.550 -6.926 7.091 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.531 -5.908 4.522 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.529 -5.559 6.888 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.521 -5.049 5.603 1.00 0.00 C ATOM 0 H PHE A 56 -2.861 -11.351 4.443 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.560 -10.110 6.534 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.511 -9.488 7.317 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.713 -9.742 5.778 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.551 -7.946 3.881 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.560 -7.316 8.098 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.526 -5.513 3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.519 -4.888 7.734 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.507 -3.981 5.445 1.00 0.00 H new ATOM 904 N THR A 57 -5.133 -8.112 4.989 1.00 0.00 N ATOM 905 CA THR A 57 -5.756 -7.219 4.025 1.00 0.00 C ATOM 906 C THR A 57 -5.998 -5.846 4.635 1.00 0.00 C ATOM 907 O THR A 57 -6.345 -5.725 5.810 1.00 0.00 O ATOM 908 CB THR A 57 -7.065 -7.794 3.467 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.183 -7.039 3.904 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.322 -9.241 3.839 1.00 0.00 C ATOM 0 H THR A 57 -5.239 -7.826 5.962 1.00 0.00 H new ATOM 0 HA THR A 57 -5.061 -7.116 3.191 1.00 0.00 H new ATOM 0 HB THR A 57 -6.941 -7.738 2.386 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.004 -7.425 3.533 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.267 -9.566 3.404 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.513 -9.864 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.371 -9.335 4.924 1.00 0.00 H new ATOM 918 N ALA A 58 -5.807 -4.811 3.824 1.00 0.00 N ATOM 919 CA ALA A 58 -6.002 -3.437 4.289 1.00 0.00 C ATOM 920 C ALA A 58 -6.651 -2.571 3.215 1.00 0.00 C ATOM 921 O ALA A 58 -6.117 -2.425 2.120 1.00 0.00 O ATOM 922 CB ALA A 58 -4.674 -2.836 4.722 1.00 0.00 C ATOM 0 H ALA A 58 -5.520 -4.893 2.849 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.676 -3.465 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.832 -1.814 5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.253 -3.430 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.984 -2.832 3.878 1.00 0.00 H new ATOM 928 N ASP A 59 -7.802 -1.992 3.535 1.00 0.00 N ATOM 929 CA ASP A 59 -8.518 -1.145 2.586 1.00 0.00 C ATOM 930 C ASP A 59 -8.059 0.309 2.680 1.00 0.00 C ATOM 931 O ASP A 59 -7.549 0.749 3.710 1.00 0.00 O ATOM 932 CB ASP A 59 -10.026 -1.235 2.833 1.00 0.00 C ATOM 933 CG ASP A 59 -10.794 -1.626 1.586 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.822 -2.831 1.261 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.368 -0.727 0.935 1.00 0.00 O ATOM 0 H ASP A 59 -8.259 -2.092 4.441 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.295 -1.505 1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.220 -1.965 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.390 -0.273 3.194 1.00 0.00 H new ATOM 940 N GLY A 60 -8.250 1.047 1.589 1.00 0.00 N ATOM 941 CA GLY A 60 -7.860 2.444 1.547 1.00 0.00 C ATOM 942 C GLY A 60 -8.485 3.172 0.372 1.00 0.00 C ATOM 943 O GLY A 60 -9.301 2.601 -0.352 1.00 0.00 O ATOM 0 H GLY A 60 -8.671 0.698 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.157 2.932 2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.774 2.516 1.482 1.00 0.00 H new ATOM 947 N ASP A 61 -8.108 4.432 0.178 1.00 0.00 N ATOM 948 CA ASP A 61 -8.649 5.223 -0.923 1.00 0.00 C ATOM 949 C ASP A 61 -7.864 6.516 -1.115 1.00 0.00 C ATOM 950 O ASP A 61 -7.596 7.240 -0.158 1.00 0.00 O ATOM 951 CB ASP A 61 -10.123 5.544 -0.670 1.00 0.00 C ATOM 952 CG ASP A 61 -10.377 6.032 0.743 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.031 5.300 1.695 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.920 7.145 0.899 1.00 0.00 O ATOM 0 H ASP A 61 -7.435 4.925 0.764 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.559 4.631 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.453 6.304 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.723 4.653 -0.857 1.00 0.00 H new ATOM 959 N PHE A 62 -7.504 6.802 -2.363 1.00 0.00 N ATOM 960 CA PHE A 62 -6.760 8.013 -2.684 1.00 0.00 C ATOM 961 C PHE A 62 -7.640 9.244 -2.523 1.00 0.00 C ATOM 962 O PHE A 62 -8.562 9.469 -3.305 1.00 0.00 O ATOM 963 CB PHE A 62 -6.218 7.963 -4.114 1.00 0.00 C ATOM 964 CG PHE A 62 -5.436 6.721 -4.453 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.900 5.907 -3.462 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.228 6.371 -5.779 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.179 4.775 -3.791 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.508 5.240 -6.110 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.983 4.442 -5.117 1.00 0.00 C ATOM 0 H PHE A 62 -7.716 6.211 -3.167 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.922 8.076 -1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.055 8.048 -4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.580 8.832 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.049 6.162 -2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.635 6.992 -6.564 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.769 4.151 -3.011 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.356 4.981 -7.147 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.419 3.558 -5.375 1.00 0.00 H new ATOM 979 N VAL A 63 -7.339 10.037 -1.509 1.00 0.00 N ATOM 980 CA VAL A 63 -8.095 11.258 -1.241 1.00 0.00 C ATOM 981 C VAL A 63 -7.614 12.410 -2.118 1.00 0.00 C ATOM 982 O VAL A 63 -8.323 13.399 -2.301 1.00 0.00 O ATOM 983 CB VAL A 63 -7.996 11.682 0.238 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.950 10.865 1.092 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.566 11.553 0.743 1.00 0.00 C ATOM 0 H VAL A 63 -6.577 9.861 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.136 11.033 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.285 12.730 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.866 11.178 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.972 11.022 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.697 9.808 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.521 11.858 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.240 10.517 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.912 12.192 0.150 1.00 0.00 H new ATOM 995 N SER A 64 -6.404 12.280 -2.657 1.00 0.00 N ATOM 996 CA SER A 64 -5.835 13.314 -3.511 1.00 0.00 C ATOM 997 C SER A 64 -4.944 12.699 -4.585 1.00 0.00 C ATOM 998 O SER A 64 -4.939 11.484 -4.782 1.00 0.00 O ATOM 999 CB SER A 64 -5.034 14.312 -2.673 1.00 0.00 C ATOM 1000 OG SER A 64 -4.728 15.476 -3.422 1.00 0.00 O ATOM 0 H SER A 64 -5.801 11.469 -2.517 1.00 0.00 H new ATOM 0 HA SER A 64 -6.654 13.840 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.604 14.586 -1.785 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.112 13.845 -2.328 1.00 0.00 H new ATOM 0 HG SER A 64 -3.756 15.566 -3.503 1.00 0.00 H new ATOM 1006 N ALA A 65 -4.188 13.547 -5.275 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.294 13.087 -6.328 1.00 0.00 C ATOM 1008 C ALA A 65 -1.967 12.601 -5.752 1.00 0.00 C ATOM 1009 O ALA A 65 -1.302 11.747 -6.337 1.00 0.00 O ATOM 1010 CB ALA A 65 -3.056 14.198 -7.341 1.00 0.00 C ATOM 0 H ALA A 65 -4.178 14.556 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.770 12.246 -6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.386 13.840 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.006 14.495 -7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.605 15.056 -6.841 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.585 13.153 -4.604 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.335 12.774 -3.954 1.00 0.00 C ATOM 1018 C ASN A 66 -0.572 12.271 -2.528 1.00 0.00 C ATOM 1019 O ASN A 66 0.375 11.905 -1.832 1.00 0.00 O ATOM 1020 CB ASN A 66 0.631 13.963 -3.932 1.00 0.00 C ATOM 1021 CG ASN A 66 1.687 13.886 -5.024 1.00 0.00 C ATOM 1022 OD1 ASN A 66 1.347 13.279 -6.159 1.00 0.00 O flip ATOM 1023 ND2 ASN A 66 2.806 14.371 -4.847 1.00 0.00 N flip ATOM 0 H ASN A 66 -2.122 13.863 -4.106 1.00 0.00 H new ATOM 0 HA ASN A 66 0.104 11.960 -4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.065 14.887 -4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.123 14.008 -2.960 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.030 14.829 -3.963 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.509 14.315 -5.584 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.832 12.251 -2.095 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.165 11.789 -0.754 1.00 0.00 C ATOM 1032 C GLU A 67 -2.833 10.419 -0.803 1.00 0.00 C ATOM 1033 O GLU A 67 -3.547 10.099 -1.754 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.080 12.794 -0.053 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.744 13.002 1.415 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.074 14.402 1.896 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -2.269 15.322 1.639 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -4.136 14.578 2.528 1.00 0.00 O ATOM 0 H GLU A 67 -2.633 12.548 -2.652 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.238 11.702 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.018 13.751 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.112 12.453 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.293 12.277 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.683 12.809 1.572 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.590 9.612 0.223 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.156 8.271 0.296 1.00 0.00 C ATOM 1047 C LEU A 68 -3.806 8.040 1.651 1.00 0.00 C ATOM 1048 O LEU A 68 -3.296 8.485 2.679 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.049 7.236 0.028 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.267 5.804 0.554 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.435 5.758 2.064 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.456 5.165 -0.137 1.00 0.00 C ATOM 0 H LEU A 68 -2.003 9.864 1.018 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.930 8.162 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.897 7.178 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.123 7.615 0.460 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.368 5.234 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.586 4.726 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.541 6.158 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.299 6.356 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.598 4.154 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.351 5.756 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.275 5.126 -1.211 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.920 7.323 1.648 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.624 7.007 2.883 1.00 0.00 C ATOM 1066 C HIS A 69 -5.839 5.505 2.996 1.00 0.00 C ATOM 1067 O HIS A 69 -6.660 4.930 2.281 1.00 0.00 O ATOM 1068 CB HIS A 69 -6.968 7.726 2.947 1.00 0.00 C ATOM 1069 CG HIS A 69 -6.909 9.055 3.635 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -8.028 9.705 4.112 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -5.857 9.858 3.928 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -7.669 10.849 4.666 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -6.357 10.965 4.569 1.00 0.00 N ATOM 0 H HIS A 69 -5.356 6.949 0.805 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.010 7.348 3.717 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.342 7.868 1.933 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.686 7.090 3.466 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.819 9.664 3.700 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.335 11.567 5.121 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.804 11.750 4.914 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.100 4.875 3.896 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.217 3.435 4.096 1.00 0.00 C ATOM 1084 C HIS A 70 -4.997 3.075 5.561 1.00 0.00 C ATOM 1085 O HIS A 70 -4.106 3.617 6.216 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.230 2.692 3.180 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.060 2.077 3.888 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -2.851 0.807 4.310 1.00 0.00 N flip ATOM 1089 CD2 HIS A 70 -1.928 2.785 4.231 1.00 0.00 C flip ATOM 1090 CE1 HIS A 70 -1.609 0.772 4.890 1.00 0.00 C flip ATOM 1091 NE2 HIS A 70 -1.072 1.973 4.830 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.416 5.333 4.498 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.227 3.123 3.830 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.769 1.908 2.648 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.858 3.389 2.429 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.766 3.836 4.041 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.145 -0.101 5.326 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.152 2.233 5.185 1.00 0.00 H new ATOM 1100 N GLY A 71 -5.822 2.167 6.072 1.00 0.00 N ATOM 1101 CA GLY A 71 -5.706 1.767 7.461 1.00 0.00 C ATOM 1102 C GLY A 71 -5.816 2.951 8.402 1.00 0.00 C ATOM 1103 O GLY A 71 -5.347 2.897 9.538 1.00 0.00 O ATOM 0 H GLY A 71 -6.566 1.703 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.486 1.043 7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.750 1.268 7.616 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.435 4.026 7.919 1.00 0.00 N ATOM 1108 CA GLY A 72 -6.594 5.218 8.727 1.00 0.00 C ATOM 1109 C GLY A 72 -5.326 6.048 8.787 1.00 0.00 C ATOM 1110 O GLY A 72 -5.128 6.817 9.726 1.00 0.00 O ATOM 0 H GLY A 72 -6.829 4.090 6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.403 5.824 8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.887 4.933 9.737 1.00 0.00 H new ATOM 1114 N MET A 73 -4.459 5.890 7.787 1.00 0.00 N ATOM 1115 CA MET A 73 -3.208 6.627 7.745 1.00 0.00 C ATOM 1116 C MET A 73 -3.171 7.583 6.560 1.00 0.00 C ATOM 1117 O MET A 73 -3.958 7.460 5.623 1.00 0.00 O ATOM 1118 CB MET A 73 -2.039 5.650 7.651 1.00 0.00 C ATOM 1119 CG MET A 73 -1.315 5.439 8.970 1.00 0.00 C ATOM 1120 SD MET A 73 -1.903 3.984 9.859 1.00 0.00 S ATOM 1121 CE MET A 73 -0.439 2.954 9.826 1.00 0.00 C ATOM 0 H MET A 73 -4.605 5.258 6.999 1.00 0.00 H new ATOM 0 HA MET A 73 -3.128 7.214 8.660 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.407 4.689 7.291 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.328 6.017 6.911 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.246 5.338 8.781 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.446 6.321 9.597 1.00 0.00 H new ATOM 0 HE1 MET A 73 -0.644 2.014 10.339 1.00 0.00 H new ATOM 0 HE2 MET A 73 -0.161 2.750 8.792 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.380 3.470 10.327 1.00 0.00 H new ATOM 1131 N THR A 74 -2.235 8.521 6.603 1.00 0.00 N ATOM 1132 CA THR A 74 -2.067 9.487 5.526 1.00 0.00 C ATOM 1133 C THR A 74 -0.695 9.309 4.892 1.00 0.00 C ATOM 1134 O THR A 74 0.327 9.636 5.493 1.00 0.00 O ATOM 1135 CB THR A 74 -2.223 10.916 6.048 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.405 11.042 6.817 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.278 11.951 4.943 1.00 0.00 C ATOM 0 H THR A 74 -1.578 8.634 7.375 1.00 0.00 H new ATOM 0 HA THR A 74 -2.839 9.313 4.777 1.00 0.00 H new ATOM 0 HB THR A 74 -1.337 11.103 6.655 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.486 11.962 7.143 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.389 12.944 5.379 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.357 11.912 4.361 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.127 11.744 4.292 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.680 8.762 3.684 1.00 0.00 N ATOM 1146 CA PHE A 75 0.570 8.510 2.980 1.00 0.00 C ATOM 1147 C PHE A 75 0.736 9.428 1.774 1.00 0.00 C ATOM 1148 O PHE A 75 -0.143 9.517 0.918 1.00 0.00 O ATOM 1149 CB PHE A 75 0.614 7.046 2.550 1.00 0.00 C ATOM 1150 CG PHE A 75 1.130 6.132 3.617 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.489 6.015 3.849 1.00 0.00 C ATOM 1152 CD2 PHE A 75 0.250 5.398 4.393 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.963 5.178 4.838 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.718 4.560 5.387 1.00 0.00 C ATOM 1155 CZ PHE A 75 2.076 4.449 5.609 1.00 0.00 C ATOM 0 H PHE A 75 -1.517 8.485 3.172 1.00 0.00 H new ATOM 0 HA PHE A 75 1.398 8.721 3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.388 6.728 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.244 6.953 1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.185 6.584 3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.813 5.481 4.220 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.026 5.092 5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.023 3.993 5.989 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.445 3.794 6.384 1.00 0.00 H new ATOM 1165 N TYR A 76 1.876 10.107 1.714 1.00 0.00 N ATOM 1166 CA TYR A 76 2.171 11.015 0.612 1.00 0.00 C ATOM 1167 C TYR A 76 3.142 10.368 -0.366 1.00 0.00 C ATOM 1168 O TYR A 76 4.008 9.589 0.030 1.00 0.00 O ATOM 1169 CB TYR A 76 2.754 12.325 1.144 1.00 0.00 C ATOM 1170 CG TYR A 76 1.958 12.917 2.282 1.00 0.00 C ATOM 1171 CD1 TYR A 76 2.077 12.413 3.571 1.00 0.00 C ATOM 1172 CD2 TYR A 76 1.082 13.973 2.067 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.344 12.946 4.613 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.348 14.513 3.105 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.482 13.995 4.376 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.249 14.530 5.413 1.00 0.00 O ATOM 0 H TYR A 76 2.612 10.046 2.417 1.00 0.00 H new ATOM 0 HA TYR A 76 1.241 11.233 0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.777 12.150 1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.804 13.049 0.330 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.753 11.592 3.761 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.973 14.379 1.072 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.446 12.542 5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.327 15.336 2.922 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.806 15.263 5.077 1.00 0.00 H new ATOM 1186 N ARG A 77 2.983 10.681 -1.644 1.00 0.00 N ATOM 1187 CA ARG A 77 3.840 10.112 -2.677 1.00 0.00 C ATOM 1188 C ARG A 77 5.241 10.710 -2.648 1.00 0.00 C ATOM 1189 O ARG A 77 5.406 11.918 -2.523 1.00 0.00 O ATOM 1190 CB ARG A 77 3.228 10.327 -4.060 1.00 0.00 C ATOM 1191 CG ARG A 77 3.642 9.275 -5.075 1.00 0.00 C ATOM 1192 CD ARG A 77 2.646 8.131 -5.123 1.00 0.00 C ATOM 1193 NE ARG A 77 1.524 8.419 -6.016 1.00 0.00 N ATOM 1194 CZ ARG A 77 1.546 8.206 -7.329 1.00 0.00 C ATOM 1195 NH1 ARG A 77 2.631 7.712 -7.913 1.00 0.00 N ATOM 1196 NH2 ARG A 77 0.480 8.492 -8.064 1.00 0.00 N ATOM 0 H ARG A 77 2.271 11.324 -1.991 1.00 0.00 H new ATOM 0 HA ARG A 77 3.920 9.045 -2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.142 10.328 -3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.519 11.311 -4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.723 9.731 -6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.629 8.890 -4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.151 7.224 -5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.269 7.936 -4.119 1.00 0.00 H new ATOM 0 HE ARG A 77 0.673 8.806 -5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.456 7.493 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.640 7.552 -8.920 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.356 8.875 -7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.496 8.329 -9.071 1.00 0.00 H new ATOM 1210 N GLU A 78 6.228 9.826 -2.793 1.00 0.00 N ATOM 1211 CA GLU A 78 7.657 10.165 -2.817 1.00 0.00 C ATOM 1212 C GLU A 78 8.040 11.246 -1.800 1.00 0.00 C ATOM 1213 O GLU A 78 8.917 11.030 -0.962 1.00 0.00 O ATOM 1214 CB GLU A 78 8.078 10.540 -4.253 1.00 0.00 C ATOM 1215 CG GLU A 78 8.699 11.923 -4.429 1.00 0.00 C ATOM 1216 CD GLU A 78 7.666 13.001 -4.690 1.00 0.00 C ATOM 1217 OE1 GLU A 78 6.878 12.849 -5.647 1.00 0.00 O ATOM 1218 OE2 GLU A 78 7.644 13.997 -3.936 1.00 0.00 O ATOM 0 H GLU A 78 6.055 8.827 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 78 8.212 9.280 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.791 9.796 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.201 10.473 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.266 12.178 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.407 11.896 -5.258 1.00 0.00 H new