USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 839 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 44 HIS : no HD1:sc= -26! C(o=-26!,f=-45!) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0.0543 USER MOD Single : A 46 SER OG : rot -31:sc= 0.516 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -1.35 F(o=-7.4!,f=-1.4) USER MOD Single : A 56 LYS NZ :NH3+ -109:sc= -7.54! (180deg=-14.4!) USER MOD Single : A 58 ASN : amide:sc=-0.00579 X(o=-0.0058,f=-0.0058) USER MOD Single : A 65 ASN :FLIP amide:sc= -2.9 F(o=-3.5,f=-2.9) USER MOD Single : A 74 MET CE :methyl 146:sc= -0.763 (180deg=-1.68!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -164:sc=-0.00928 (180deg=-0.39) USER MOD Single : A 84 SER OG : rot -1:sc= -1.86 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 15:sc= -2.25! USER MOD Single : A 110 ASN : amide:sc= -3.24 K(o=-3.2,f=-4.2!) USER MOD Single : A 112 GLN :FLIP amide:sc= -1.91 F(o=-5!,f=-1.9) USER MOD Single : A 114 LYS NZ :NH3+ 160:sc= -0.0851 (180deg=-0.474) USER MOD Single : A 115 LYS NZ :NH3+ -137:sc= -0.083 (180deg=-0.703) USER MOD Single : A 125 LYS NZ :NH3+ 142:sc= -1.14 (180deg=-3.1!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot -102:sc= -0.514! USER MOD Single : A 139 HIS : no HE2:sc= -3.62 K(o=-3.6,f=-7.2!) USER MOD Single : A 140 CYS SG : rot -90:sc= -5.65! USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.082 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 40 4.681 10.418 5.809 1.00 0.00 N ATOM 2 CA PHE A 40 3.741 9.306 5.610 1.00 0.00 C ATOM 3 C PHE A 40 2.526 9.659 4.778 1.00 0.00 C ATOM 4 O PHE A 40 1.400 9.682 5.236 1.00 0.00 O ATOM 5 CB PHE A 40 3.369 8.857 6.935 1.00 0.00 C ATOM 6 CG PHE A 40 3.230 7.371 6.833 1.00 0.00 C ATOM 7 CD1 PHE A 40 2.059 6.710 6.489 1.00 0.00 C ATOM 8 CD2 PHE A 40 4.403 6.689 7.092 1.00 0.00 C ATOM 9 CE1 PHE A 40 2.098 5.350 6.418 1.00 0.00 C ATOM 10 CE2 PHE A 40 4.455 5.305 7.016 1.00 0.00 C ATOM 11 CZ PHE A 40 3.281 4.658 6.678 1.00 0.00 C ATOM 0 HA PHE A 40 4.226 8.520 5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.128 9.130 7.669 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.434 9.317 7.257 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.149 7.255 6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.292 7.241 7.357 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.204 4.802 6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.367 4.760 7.211 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.280 3.580 6.613 1.00 0.00 H new ATOM 21 N ARG A 41 2.813 9.933 3.537 1.00 0.00 N ATOM 22 CA ARG A 41 1.731 10.297 2.612 1.00 0.00 C ATOM 23 C ARG A 41 1.579 9.425 1.407 1.00 0.00 C ATOM 24 O ARG A 41 2.052 8.317 1.328 1.00 0.00 O ATOM 25 CB ARG A 41 2.004 11.752 2.268 1.00 0.00 C ATOM 26 CG ARG A 41 1.866 12.581 3.553 1.00 0.00 C ATOM 27 CD ARG A 41 1.918 14.070 3.212 1.00 0.00 C ATOM 28 NE ARG A 41 0.695 14.407 2.432 1.00 0.00 N ATOM 29 CZ ARG A 41 -0.159 15.257 2.933 1.00 0.00 C ATOM 30 NH1 ARG A 41 -0.833 14.915 3.995 1.00 0.00 N ATOM 31 NH2 ARG A 41 -0.310 16.417 2.357 1.00 0.00 N ATOM 0 H ARG A 41 3.750 9.918 3.134 1.00 0.00 H new ATOM 0 HA ARG A 41 0.763 10.147 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.004 11.863 1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.301 12.102 1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.926 12.344 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.667 12.329 4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.966 14.668 4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.813 14.297 2.634 1.00 0.00 H new ATOM 0 HE ARG A 41 0.528 13.980 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.688 13.998 4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.506 15.564 4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.235 16.649 1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.974 17.092 2.736 1.00 0.00 H new ATOM 45 N ARG A 42 0.908 9.966 0.454 1.00 0.00 N ATOM 46 CA ARG A 42 0.708 9.146 -0.754 1.00 0.00 C ATOM 47 C ARG A 42 1.852 9.152 -1.696 1.00 0.00 C ATOM 48 O ARG A 42 2.524 10.135 -1.940 1.00 0.00 O ATOM 49 CB ARG A 42 -0.476 9.644 -1.484 1.00 0.00 C ATOM 50 CG ARG A 42 -0.143 10.614 -2.619 1.00 0.00 C ATOM 51 CD ARG A 42 -1.455 11.119 -3.208 1.00 0.00 C ATOM 52 NE ARG A 42 -2.171 11.917 -2.174 1.00 0.00 N ATOM 53 CZ ARG A 42 -2.482 13.157 -2.437 1.00 0.00 C ATOM 54 NH1 ARG A 42 -1.532 14.050 -2.474 1.00 0.00 N ATOM 55 NH2 ARG A 42 -3.733 13.458 -2.653 1.00 0.00 N ATOM 0 H ARG A 42 0.502 10.902 0.450 1.00 0.00 H new ATOM 0 HA ARG A 42 0.587 8.122 -0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.021 8.794 -1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.143 10.141 -0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.453 11.447 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.451 10.115 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.262 11.730 -4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.071 10.280 -3.531 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.414 11.501 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.566 13.774 -2.299 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.755 15.024 -2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.447 12.730 -2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.997 14.421 -2.860 1.00 0.00 H new ATOM 69 N ASP A 43 1.997 7.948 -2.162 1.00 0.00 N ATOM 70 CA ASP A 43 3.058 7.653 -3.135 1.00 0.00 C ATOM 71 C ASP A 43 4.301 7.725 -2.271 1.00 0.00 C ATOM 72 O ASP A 43 5.375 8.029 -2.746 1.00 0.00 O ATOM 73 CB ASP A 43 3.057 8.721 -4.250 1.00 0.00 C ATOM 74 CG ASP A 43 3.639 8.105 -5.524 1.00 0.00 C ATOM 75 OD1 ASP A 43 4.800 7.738 -5.478 1.00 0.00 O ATOM 76 OD2 ASP A 43 2.873 8.039 -6.473 1.00 0.00 O ATOM 0 H ASP A 43 1.415 7.152 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 43 2.959 6.699 -3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.042 9.076 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.647 9.585 -3.945 1.00 0.00 H new ATOM 81 N HIS A 44 4.052 7.439 -1.012 1.00 0.00 N ATOM 82 CA HIS A 44 5.121 7.424 0.040 1.00 0.00 C ATOM 83 C HIS A 44 6.641 7.411 -0.180 1.00 0.00 C ATOM 84 O HIS A 44 7.187 7.269 -1.253 1.00 0.00 O ATOM 85 CB HIS A 44 4.608 6.358 0.841 1.00 0.00 C ATOM 86 CG HIS A 44 4.366 6.475 2.274 1.00 0.00 C ATOM 87 ND1 HIS A 44 5.388 6.357 3.016 1.00 0.00 N ATOM 88 CD2 HIS A 44 3.273 6.590 3.090 1.00 0.00 C ATOM 89 CE1 HIS A 44 5.026 6.373 4.216 1.00 0.00 C ATOM 90 NE2 HIS A 44 3.719 6.521 4.325 1.00 0.00 N ATOM 0 H HIS A 44 3.122 7.208 -0.661 1.00 0.00 H new ATOM 0 HA HIS A 44 5.233 8.437 0.426 1.00 0.00 H new ATOM 0 HB2 HIS A 44 3.659 6.066 0.392 1.00 0.00 H new ATOM 0 HB3 HIS A 44 5.293 5.520 0.712 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.246 6.713 2.780 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.699 6.278 5.055 1.00 0.00 H new ATOM 0 HE2 HIS A 44 3.172 6.571 5.184 1.00 0.00 H new ATOM 98 N THR A 45 7.283 7.560 0.946 1.00 0.00 N ATOM 99 CA THR A 45 8.770 7.633 0.993 1.00 0.00 C ATOM 100 C THR A 45 9.738 6.779 0.245 1.00 0.00 C ATOM 101 O THR A 45 9.732 5.569 0.334 1.00 0.00 O ATOM 102 CB THR A 45 9.202 7.573 2.423 1.00 0.00 C ATOM 103 OG1 THR A 45 8.248 6.797 3.126 1.00 0.00 O ATOM 104 CG2 THR A 45 9.175 8.988 2.960 1.00 0.00 C ATOM 0 H THR A 45 6.828 7.636 1.856 1.00 0.00 H new ATOM 0 HA THR A 45 8.854 8.548 0.407 1.00 0.00 H new ATOM 0 HB THR A 45 10.196 7.140 2.530 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.506 6.738 4.070 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.485 8.987 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.857 9.610 2.380 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.164 9.387 2.882 1.00 0.00 H new ATOM 112 N SER A 46 10.559 7.498 -0.487 1.00 0.00 N ATOM 113 CA SER A 46 11.588 6.777 -1.273 1.00 0.00 C ATOM 114 C SER A 46 12.881 7.434 -1.748 1.00 0.00 C ATOM 115 O SER A 46 13.232 7.310 -2.903 1.00 0.00 O ATOM 116 CB SER A 46 11.072 6.187 -2.540 1.00 0.00 C ATOM 117 OG SER A 46 9.871 5.484 -2.259 1.00 0.00 O ATOM 0 H SER A 46 10.557 8.515 -0.568 1.00 0.00 H new ATOM 0 HA SER A 46 11.839 6.102 -0.455 1.00 0.00 H new ATOM 0 HB2 SER A 46 10.888 6.971 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.812 5.513 -2.972 1.00 0.00 H new ATOM 0 HG SER A 46 9.908 5.125 -1.348 1.00 0.00 H new ATOM 123 N ASP A 47 13.578 8.122 -0.902 1.00 0.00 N ATOM 124 CA ASP A 47 14.849 8.731 -1.383 1.00 0.00 C ATOM 125 C ASP A 47 15.759 7.744 -0.693 1.00 0.00 C ATOM 126 O ASP A 47 16.744 7.250 -1.207 1.00 0.00 O ATOM 127 CB ASP A 47 15.018 10.145 -0.822 1.00 0.00 C ATOM 128 CG ASP A 47 16.315 10.741 -1.374 1.00 0.00 C ATOM 129 OD1 ASP A 47 17.356 10.197 -1.044 1.00 0.00 O ATOM 130 OD2 ASP A 47 16.186 11.712 -2.101 1.00 0.00 O ATOM 0 H ASP A 47 13.338 8.290 0.075 1.00 0.00 H new ATOM 0 HA ASP A 47 14.980 8.861 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.168 10.767 -1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.048 10.118 0.267 1.00 0.00 H new ATOM 135 N GLN A 48 15.311 7.524 0.508 1.00 0.00 N ATOM 136 CA GLN A 48 15.867 6.648 1.490 1.00 0.00 C ATOM 137 C GLN A 48 15.866 5.259 0.885 1.00 0.00 C ATOM 138 O GLN A 48 16.725 4.454 1.164 1.00 0.00 O ATOM 139 CB GLN A 48 14.965 6.845 2.684 1.00 0.00 C ATOM 140 CG GLN A 48 14.784 5.540 3.346 1.00 0.00 C ATOM 141 CD GLN A 48 14.003 5.712 4.649 1.00 0.00 C ATOM 142 OE1 GLN A 48 12.879 6.170 4.660 1.00 0.00 O ATOM 143 NE2 GLN A 48 14.567 5.351 5.770 1.00 0.00 N ATOM 0 H GLN A 48 14.475 7.995 0.852 1.00 0.00 H new ATOM 0 HA GLN A 48 16.897 6.829 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.402 7.565 3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.002 7.249 2.370 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.252 4.858 2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.756 5.091 3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.511 4.966 5.765 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.063 5.454 6.651 1.00 0.00 H new ATOM 152 N LEU A 49 14.874 5.017 0.072 1.00 0.00 N ATOM 153 CA LEU A 49 14.727 3.707 -0.594 1.00 0.00 C ATOM 154 C LEU A 49 15.896 3.308 -1.388 1.00 0.00 C ATOM 155 O LEU A 49 16.672 2.408 -1.247 1.00 0.00 O ATOM 156 CB LEU A 49 13.592 3.802 -1.537 1.00 0.00 C ATOM 157 CG LEU A 49 12.328 3.264 -1.152 1.00 0.00 C ATOM 158 CD1 LEU A 49 12.630 1.867 -1.384 1.00 0.00 C ATOM 159 CD2 LEU A 49 12.263 3.640 0.245 1.00 0.00 C ATOM 0 H LEU A 49 14.146 5.693 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 49 14.588 2.969 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.444 4.857 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.891 3.311 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 49 11.392 3.556 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.758 1.261 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.892 1.721 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.468 1.567 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.327 3.284 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.101 3.194 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.312 4.725 0.332 1.00 0.00 H new ATOM 171 N HIS A 50 15.975 4.123 -2.322 1.00 0.00 N ATOM 172 CA HIS A 50 17.037 3.927 -3.271 1.00 0.00 C ATOM 173 C HIS A 50 18.367 3.961 -2.585 1.00 0.00 C ATOM 174 O HIS A 50 19.297 3.270 -2.953 1.00 0.00 O ATOM 175 CB HIS A 50 16.721 5.013 -4.285 1.00 0.00 C ATOM 176 CG HIS A 50 15.370 4.697 -4.888 1.00 0.00 C ATOM 177 ND1 HIS A 50 14.148 4.856 -4.312 1.00 0.00 N flip ATOM 178 CD2 HIS A 50 15.122 4.216 -6.060 1.00 0.00 C flip ATOM 179 CE1 HIS A 50 13.189 4.476 -5.133 1.00 0.00 C flip ATOM 180 NE2 HIS A 50 13.840 4.086 -6.202 1.00 0.00 N flip ATOM 0 H HIS A 50 15.359 4.920 -2.483 1.00 0.00 H new ATOM 0 HA HIS A 50 17.101 2.960 -3.770 1.00 0.00 H new ATOM 0 HB2 HIS A 50 16.707 5.992 -3.806 1.00 0.00 H new ATOM 0 HB3 HIS A 50 17.487 5.048 -5.059 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.864 3.963 -6.803 1.00 0.00 H new ATOM 0 HE1 HIS A 50 12.122 4.484 -4.965 1.00 0.00 H new ATOM 0 HE2 HIS A 50 13.392 3.724 -7.044 1.00 0.00 H new ATOM 188 N ALA A 51 18.418 4.778 -1.589 1.00 0.00 N ATOM 189 CA ALA A 51 19.645 4.895 -0.843 1.00 0.00 C ATOM 190 C ALA A 51 19.921 3.573 -0.108 1.00 0.00 C ATOM 191 O ALA A 51 21.048 3.129 -0.018 1.00 0.00 O ATOM 192 CB ALA A 51 19.483 6.032 0.133 1.00 0.00 C ATOM 0 H ALA A 51 17.649 5.367 -1.270 1.00 0.00 H new ATOM 0 HA ALA A 51 20.490 5.097 -1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 51 20.398 6.146 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 51 19.283 6.954 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 51 18.651 5.820 0.804 1.00 0.00 H new ATOM 198 N GLU A 52 18.857 2.992 0.390 1.00 0.00 N ATOM 199 CA GLU A 52 18.902 1.738 1.141 1.00 0.00 C ATOM 200 C GLU A 52 18.444 0.380 0.553 1.00 0.00 C ATOM 201 O GLU A 52 19.158 -0.602 0.588 1.00 0.00 O ATOM 202 CB GLU A 52 18.128 2.011 2.389 1.00 0.00 C ATOM 203 CG GLU A 52 18.691 1.141 3.492 1.00 0.00 C ATOM 204 CD GLU A 52 19.948 1.854 3.999 1.00 0.00 C ATOM 205 OE1 GLU A 52 19.756 2.859 4.663 1.00 0.00 O ATOM 206 OE2 GLU A 52 21.024 1.369 3.694 1.00 0.00 O ATOM 0 H GLU A 52 17.916 3.374 0.290 1.00 0.00 H new ATOM 0 HA GLU A 52 19.970 1.531 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.202 3.064 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.071 1.795 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.965 1.013 4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.932 0.146 3.118 1.00 0.00 H new ATOM 213 N PHE A 53 17.247 0.402 0.036 1.00 0.00 N ATOM 214 CA PHE A 53 16.558 -0.757 -0.580 1.00 0.00 C ATOM 215 C PHE A 53 17.296 -1.277 -1.776 1.00 0.00 C ATOM 216 O PHE A 53 17.365 -2.465 -2.020 1.00 0.00 O ATOM 217 CB PHE A 53 15.197 -0.305 -0.915 1.00 0.00 C ATOM 218 CG PHE A 53 14.266 -0.579 0.207 1.00 0.00 C ATOM 219 CD1 PHE A 53 14.458 0.034 1.409 1.00 0.00 C ATOM 220 CD2 PHE A 53 13.253 -1.471 0.059 1.00 0.00 C ATOM 221 CE1 PHE A 53 13.655 -0.240 2.468 1.00 0.00 C ATOM 222 CE2 PHE A 53 12.466 -1.736 1.123 1.00 0.00 C ATOM 223 CZ PHE A 53 12.652 -1.134 2.323 1.00 0.00 C ATOM 0 H PHE A 53 16.681 1.250 0.019 1.00 0.00 H new ATOM 0 HA PHE A 53 16.520 -1.598 0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 53 15.206 0.763 -1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 53 14.850 -0.813 -1.815 1.00 0.00 H new ATOM 0 HD1 PHE A 53 15.261 0.748 1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 53 13.081 -1.958 -0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 53 13.816 0.251 3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.663 -2.450 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.005 -1.367 3.156 1.00 0.00 H new ATOM 233 N ASP A 54 17.837 -0.342 -2.495 1.00 0.00 N ATOM 234 CA ASP A 54 18.595 -0.729 -3.701 1.00 0.00 C ATOM 235 C ASP A 54 20.057 -0.972 -3.285 1.00 0.00 C ATOM 236 O ASP A 54 20.956 -0.919 -4.101 1.00 0.00 O ATOM 237 CB ASP A 54 18.464 0.420 -4.675 1.00 0.00 C ATOM 238 CG ASP A 54 19.005 0.017 -6.044 1.00 0.00 C ATOM 239 OD1 ASP A 54 18.443 -0.916 -6.591 1.00 0.00 O ATOM 240 OD2 ASP A 54 19.950 0.668 -6.457 1.00 0.00 O ATOM 0 H ASP A 54 17.787 0.658 -2.302 1.00 0.00 H new ATOM 0 HA ASP A 54 18.226 -1.642 -4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.418 0.715 -4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.009 1.287 -4.301 1.00 0.00 H new ATOM 245 N GLY A 55 20.251 -1.235 -2.014 1.00 0.00 N ATOM 246 CA GLY A 55 21.622 -1.496 -1.484 1.00 0.00 C ATOM 247 C GLY A 55 21.607 -2.706 -0.538 1.00 0.00 C ATOM 248 O GLY A 55 21.754 -3.833 -0.966 1.00 0.00 O ATOM 0 H GLY A 55 19.508 -1.280 -1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 55 22.309 -1.680 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 55 21.988 -0.616 -0.954 1.00 0.00 H new ATOM 252 N LYS A 56 21.435 -2.416 0.728 1.00 0.00 N ATOM 253 CA LYS A 56 21.388 -3.450 1.806 1.00 0.00 C ATOM 254 C LYS A 56 20.634 -4.755 1.625 1.00 0.00 C ATOM 255 O LYS A 56 20.030 -5.068 0.619 1.00 0.00 O ATOM 256 CB LYS A 56 20.865 -2.793 3.063 1.00 0.00 C ATOM 257 CG LYS A 56 21.857 -1.746 3.416 1.00 0.00 C ATOM 258 CD LYS A 56 21.933 -1.496 4.946 1.00 0.00 C ATOM 259 CE LYS A 56 20.555 -1.194 5.560 1.00 0.00 C ATOM 260 NZ LYS A 56 19.790 -2.446 5.791 1.00 0.00 N ATOM 0 H LYS A 56 21.320 -1.462 1.071 1.00 0.00 H new ATOM 0 HA LYS A 56 22.423 -3.791 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.880 -2.358 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.760 -3.519 3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.840 -2.042 3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 56 21.595 -0.816 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.361 -2.372 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 56 22.606 -0.661 5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.682 -0.662 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 56 19.993 -0.537 4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 19.004 -2.503 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 20.418 -3.265 5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.412 -2.448 6.760 1.00 0.00 H new ATOM 274 N GLU A 57 20.732 -5.469 2.709 1.00 0.00 N ATOM 275 CA GLU A 57 20.094 -6.807 2.833 1.00 0.00 C ATOM 276 C GLU A 57 18.661 -6.686 3.348 1.00 0.00 C ATOM 277 O GLU A 57 18.314 -5.695 3.944 1.00 0.00 O ATOM 278 CB GLU A 57 20.879 -7.586 3.772 1.00 0.00 C ATOM 279 CG GLU A 57 22.345 -7.645 3.343 1.00 0.00 C ATOM 280 CD GLU A 57 23.143 -8.247 4.499 1.00 0.00 C ATOM 281 OE1 GLU A 57 23.160 -7.591 5.528 1.00 0.00 O ATOM 282 OE2 GLU A 57 23.683 -9.319 4.285 1.00 0.00 O ATOM 0 H GLU A 57 21.244 -5.171 3.539 1.00 0.00 H new ATOM 0 HA GLU A 57 20.059 -7.287 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 57 20.805 -7.146 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 57 20.475 -8.596 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 57 22.456 -8.252 2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 57 22.714 -6.648 3.102 1.00 0.00 H new ATOM 289 N ASN A 58 17.872 -7.697 3.105 1.00 0.00 N ATOM 290 CA ASN A 58 16.459 -7.753 3.524 1.00 0.00 C ATOM 291 C ASN A 58 16.139 -7.424 4.970 1.00 0.00 C ATOM 292 O ASN A 58 15.486 -6.469 5.320 1.00 0.00 O ATOM 293 CB ASN A 58 15.966 -9.103 3.265 1.00 0.00 C ATOM 294 CG ASN A 58 15.777 -9.326 1.765 1.00 0.00 C ATOM 295 OD1 ASN A 58 14.961 -8.693 1.123 1.00 0.00 O ATOM 296 ND2 ASN A 58 16.517 -10.219 1.167 1.00 0.00 N ATOM 0 H ASN A 58 18.179 -8.530 2.603 1.00 0.00 H new ATOM 0 HA ASN A 58 15.977 -6.965 2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.669 -9.835 3.662 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.020 -9.256 3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.409 -10.383 0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 58 17.203 -10.753 1.700 1.00 0.00 H new ATOM 303 N GLU A 59 16.666 -8.332 5.722 1.00 0.00 N ATOM 304 CA GLU A 59 16.637 -8.466 7.190 1.00 0.00 C ATOM 305 C GLU A 59 16.576 -7.135 7.879 1.00 0.00 C ATOM 306 O GLU A 59 15.837 -6.789 8.777 1.00 0.00 O ATOM 307 CB GLU A 59 17.875 -9.161 7.485 1.00 0.00 C ATOM 308 CG GLU A 59 17.861 -9.877 8.841 1.00 0.00 C ATOM 309 CD GLU A 59 17.698 -8.847 9.961 1.00 0.00 C ATOM 310 OE1 GLU A 59 18.580 -8.010 10.058 1.00 0.00 O ATOM 311 OE2 GLU A 59 16.698 -8.958 10.650 1.00 0.00 O ATOM 0 H GLU A 59 17.193 -9.097 5.301 1.00 0.00 H new ATOM 0 HA GLU A 59 15.753 -8.996 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 59 18.070 -9.890 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 59 18.698 -8.446 7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.045 -10.599 8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 59 18.787 -10.436 8.979 1.00 0.00 H new ATOM 318 N GLU A 60 17.510 -6.495 7.281 1.00 0.00 N ATOM 319 CA GLU A 60 17.962 -5.163 7.504 1.00 0.00 C ATOM 320 C GLU A 60 16.955 -4.155 7.001 1.00 0.00 C ATOM 321 O GLU A 60 16.428 -3.359 7.743 1.00 0.00 O ATOM 322 CB GLU A 60 19.271 -5.183 6.800 1.00 0.00 C ATOM 323 CG GLU A 60 20.316 -4.680 7.711 1.00 0.00 C ATOM 324 CD GLU A 60 21.654 -4.582 6.966 1.00 0.00 C ATOM 325 OE1 GLU A 60 21.681 -4.987 5.817 1.00 0.00 O ATOM 326 OE2 GLU A 60 22.579 -4.100 7.598 1.00 0.00 O ATOM 0 H GLU A 60 18.042 -6.941 6.534 1.00 0.00 H new ATOM 0 HA GLU A 60 18.074 -4.859 8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 60 19.509 -6.197 6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.225 -4.566 5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.033 -3.701 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.415 -5.346 8.568 1.00 0.00 H new ATOM 333 N LEU A 61 16.732 -4.252 5.725 1.00 0.00 N ATOM 334 CA LEU A 61 15.812 -3.412 4.965 1.00 0.00 C ATOM 335 C LEU A 61 14.501 -3.206 5.620 1.00 0.00 C ATOM 336 O LEU A 61 13.809 -2.233 5.449 1.00 0.00 O ATOM 337 CB LEU A 61 15.533 -3.995 3.566 1.00 0.00 C ATOM 338 CG LEU A 61 16.095 -3.093 2.461 1.00 0.00 C ATOM 339 CD1 LEU A 61 16.131 -1.664 2.943 1.00 0.00 C ATOM 340 CD2 LEU A 61 17.524 -3.506 2.264 1.00 0.00 C ATOM 0 H LEU A 61 17.201 -4.947 5.144 1.00 0.00 H new ATOM 0 HA LEU A 61 16.326 -2.453 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.977 -4.987 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.458 -4.115 3.428 1.00 0.00 H new ATOM 0 HG LEU A 61 15.490 -3.176 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.531 -1.025 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.122 -1.340 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.767 -1.594 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.976 -2.893 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.074 -3.371 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.562 -4.555 1.969 1.00 0.00 H new ATOM 352 N GLU A 62 14.244 -4.225 6.344 1.00 0.00 N ATOM 353 CA GLU A 62 13.081 -4.449 7.131 1.00 0.00 C ATOM 354 C GLU A 62 13.003 -3.608 8.386 1.00 0.00 C ATOM 355 O GLU A 62 12.013 -3.004 8.736 1.00 0.00 O ATOM 356 CB GLU A 62 13.205 -5.850 7.376 1.00 0.00 C ATOM 357 CG GLU A 62 12.632 -6.602 6.224 1.00 0.00 C ATOM 358 CD GLU A 62 12.924 -8.096 6.382 1.00 0.00 C ATOM 359 OE1 GLU A 62 13.371 -8.457 7.459 1.00 0.00 O ATOM 360 OE2 GLU A 62 12.681 -8.791 5.410 1.00 0.00 O ATOM 0 H GLU A 62 14.902 -5.002 6.412 1.00 0.00 H new ATOM 0 HA GLU A 62 12.151 -4.157 6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.253 -6.116 7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.685 -6.118 8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.556 -6.436 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.059 -6.236 5.290 1.00 0.00 H new ATOM 367 N ALA A 63 14.121 -3.643 9.027 1.00 0.00 N ATOM 368 CA ALA A 63 14.343 -2.933 10.265 1.00 0.00 C ATOM 369 C ALA A 63 14.147 -1.478 9.939 1.00 0.00 C ATOM 370 O ALA A 63 13.494 -0.758 10.670 1.00 0.00 O ATOM 371 CB ALA A 63 15.755 -3.219 10.732 1.00 0.00 C ATOM 0 H ALA A 63 14.931 -4.174 8.708 1.00 0.00 H new ATOM 0 HA ALA A 63 13.666 -3.233 11.065 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.943 -2.691 11.667 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.876 -4.291 10.890 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.464 -2.881 9.976 1.00 0.00 H new ATOM 377 N LEU A 64 14.722 -1.092 8.828 1.00 0.00 N ATOM 378 CA LEU A 64 14.598 0.306 8.416 1.00 0.00 C ATOM 379 C LEU A 64 13.447 0.757 7.585 1.00 0.00 C ATOM 380 O LEU A 64 13.056 1.905 7.543 1.00 0.00 O ATOM 381 CB LEU A 64 15.848 0.663 7.755 1.00 0.00 C ATOM 382 CG LEU A 64 15.952 -0.047 6.449 1.00 0.00 C ATOM 383 CD1 LEU A 64 15.630 0.878 5.268 1.00 0.00 C ATOM 384 CD2 LEU A 64 17.272 -0.671 6.537 1.00 0.00 C ATOM 0 H LEU A 64 15.264 -1.691 8.205 1.00 0.00 H new ATOM 0 HA LEU A 64 14.382 0.828 9.348 1.00 0.00 H new ATOM 0 HB2 LEU A 64 15.891 1.741 7.597 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.694 0.400 8.390 1.00 0.00 H new ATOM 0 HG LEU A 64 15.212 -0.822 6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 64 15.718 0.321 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.613 1.258 5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.330 1.713 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.471 -1.232 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.032 0.101 6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.298 -1.348 7.391 1.00 0.00 H new ATOM 396 N ASN A 65 13.029 -0.282 6.974 1.00 0.00 N ATOM 397 CA ASN A 65 11.897 -0.375 5.994 1.00 0.00 C ATOM 398 C ASN A 65 10.911 0.767 5.862 1.00 0.00 C ATOM 399 O ASN A 65 10.795 1.681 6.652 1.00 0.00 O ATOM 400 CB ASN A 65 11.025 -1.550 6.287 1.00 0.00 C ATOM 401 CG ASN A 65 10.165 -1.154 7.491 1.00 0.00 C ATOM 402 OD1 ASN A 65 8.867 -1.202 7.381 1.00 0.00 O flip ATOM 403 ND2 ASN A 65 10.661 -0.792 8.539 1.00 0.00 N flip ATOM 0 H ASN A 65 13.471 -1.189 7.123 1.00 0.00 H new ATOM 0 HA ASN A 65 12.478 -0.410 5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.402 -1.796 5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.624 -2.433 6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.676 -0.751 8.636 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.063 -0.529 9.322 1.00 0.00 H new ATOM 410 N ILE A 66 10.176 0.646 4.796 1.00 0.00 N ATOM 411 CA ILE A 66 9.184 1.670 4.497 1.00 0.00 C ATOM 412 C ILE A 66 7.909 0.885 4.311 1.00 0.00 C ATOM 413 O ILE A 66 7.777 -0.046 3.524 1.00 0.00 O ATOM 414 CB ILE A 66 9.637 2.325 3.263 1.00 0.00 C ATOM 415 CG1 ILE A 66 11.184 2.057 2.949 1.00 0.00 C ATOM 416 CG2 ILE A 66 9.352 3.879 3.344 1.00 0.00 C ATOM 417 CD1 ILE A 66 12.103 3.009 3.735 1.00 0.00 C ATOM 0 H ILE A 66 10.230 -0.123 4.128 1.00 0.00 H new ATOM 0 HA ILE A 66 9.040 2.443 5.252 1.00 0.00 H new ATOM 0 HB ILE A 66 9.072 1.888 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.432 1.025 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.364 2.179 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.690 4.359 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.282 4.047 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.887 4.303 4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.143 2.793 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.874 4.040 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.943 2.869 4.804 1.00 0.00 H new ATOM 429 N GLU A 67 7.031 1.382 5.122 1.00 0.00 N ATOM 430 CA GLU A 67 5.667 0.892 5.231 1.00 0.00 C ATOM 431 C GLU A 67 5.095 1.956 4.333 1.00 0.00 C ATOM 432 O GLU A 67 4.430 2.874 4.761 1.00 0.00 O ATOM 433 CB GLU A 67 5.237 1.019 6.657 1.00 0.00 C ATOM 434 CG GLU A 67 6.263 0.318 7.532 1.00 0.00 C ATOM 435 CD GLU A 67 5.758 0.321 8.972 1.00 0.00 C ATOM 436 OE1 GLU A 67 5.519 1.413 9.460 1.00 0.00 O ATOM 437 OE2 GLU A 67 5.642 -0.774 9.495 1.00 0.00 O ATOM 0 H GLU A 67 7.234 2.160 5.749 1.00 0.00 H new ATOM 0 HA GLU A 67 5.420 -0.138 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.155 2.069 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.252 0.574 6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.418 -0.704 7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.225 0.826 7.468 1.00 0.00 H new ATOM 444 N VAL A 68 5.378 1.799 3.070 1.00 0.00 N ATOM 445 CA VAL A 68 4.862 2.803 2.167 1.00 0.00 C ATOM 446 C VAL A 68 3.506 2.538 1.704 1.00 0.00 C ATOM 447 O VAL A 68 2.938 1.475 1.571 1.00 0.00 O ATOM 448 CB VAL A 68 5.754 2.965 0.991 1.00 0.00 C ATOM 449 CG1 VAL A 68 6.635 4.021 1.558 1.00 0.00 C ATOM 450 CG2 VAL A 68 6.550 1.706 0.666 1.00 0.00 C ATOM 0 H VAL A 68 5.924 1.043 2.657 1.00 0.00 H new ATOM 0 HA VAL A 68 4.829 3.724 2.749 1.00 0.00 H new ATOM 0 HB VAL A 68 5.250 3.186 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.392 4.296 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.038 4.898 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.121 3.645 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.182 1.889 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.174 1.440 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.864 0.887 0.449 1.00 0.00 H new ATOM 460 N ALA A 69 3.113 3.724 1.481 1.00 0.00 N ATOM 461 CA ALA A 69 1.800 4.091 1.038 1.00 0.00 C ATOM 462 C ALA A 69 1.341 4.573 -0.258 1.00 0.00 C ATOM 463 O ALA A 69 2.002 4.782 -1.257 1.00 0.00 O ATOM 464 CB ALA A 69 1.529 4.956 1.849 1.00 0.00 C ATOM 0 H ALA A 69 3.726 4.530 1.606 1.00 0.00 H new ATOM 0 HA ALA A 69 1.330 3.114 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.533 5.348 1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.552 4.533 2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.259 5.763 1.778 1.00 0.00 H new ATOM 470 N VAL A 70 0.071 4.720 0.001 1.00 0.00 N ATOM 471 CA VAL A 70 -0.917 5.207 -0.965 1.00 0.00 C ATOM 472 C VAL A 70 -2.074 5.938 -0.339 1.00 0.00 C ATOM 473 O VAL A 70 -2.615 5.584 0.684 1.00 0.00 O ATOM 474 CB VAL A 70 -1.520 4.120 -1.714 1.00 0.00 C ATOM 475 CG1 VAL A 70 -0.352 3.456 -2.278 1.00 0.00 C ATOM 476 CG2 VAL A 70 -2.215 3.117 -0.763 1.00 0.00 C ATOM 0 H VAL A 70 -0.333 4.502 0.912 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.340 5.881 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.263 4.464 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.672 2.603 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.196 4.156 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.295 3.111 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.660 2.311 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.481 2.702 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.994 3.630 -0.200 1.00 0.00 H new ATOM 486 N ALA A 71 -2.387 7.003 -0.976 1.00 0.00 N ATOM 487 CA ALA A 71 -3.528 7.816 -0.505 1.00 0.00 C ATOM 488 C ALA A 71 -4.343 7.788 -1.768 1.00 0.00 C ATOM 489 O ALA A 71 -3.974 7.125 -2.718 1.00 0.00 O ATOM 490 CB ALA A 71 -3.151 9.247 -0.223 1.00 0.00 C ATOM 0 H ALA A 71 -1.908 7.355 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.984 7.454 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.029 9.794 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.382 9.275 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.768 9.709 -1.133 1.00 0.00 H new ATOM 496 N GLY A 72 -5.425 8.499 -1.750 1.00 0.00 N ATOM 497 CA GLY A 72 -6.241 8.522 -3.010 1.00 0.00 C ATOM 498 C GLY A 72 -7.592 7.855 -3.049 1.00 0.00 C ATOM 499 O GLY A 72 -8.198 7.579 -2.036 1.00 0.00 O ATOM 0 H GLY A 72 -5.778 9.045 -0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.388 9.567 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.635 8.072 -3.796 1.00 0.00 H new ATOM 503 N ARG A 73 -8.007 7.643 -4.272 1.00 0.00 N ATOM 504 CA ARG A 73 -9.302 6.998 -4.539 1.00 0.00 C ATOM 505 C ARG A 73 -9.288 5.820 -5.495 1.00 0.00 C ATOM 506 O ARG A 73 -8.901 5.866 -6.650 1.00 0.00 O ATOM 507 CB ARG A 73 -10.255 7.980 -5.089 1.00 0.00 C ATOM 508 CG ARG A 73 -9.524 8.947 -6.028 1.00 0.00 C ATOM 509 CD ARG A 73 -10.556 9.718 -6.844 1.00 0.00 C ATOM 510 NE ARG A 73 -9.830 10.445 -7.924 1.00 0.00 N ATOM 511 CZ ARG A 73 -9.914 11.744 -7.996 1.00 0.00 C ATOM 512 NH1 ARG A 73 -11.067 12.285 -8.284 1.00 0.00 N ATOM 513 NH2 ARG A 73 -8.845 12.458 -7.777 1.00 0.00 N ATOM 0 H ARG A 73 -7.481 7.900 -5.107 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.591 6.608 -3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.050 7.465 -5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.728 8.534 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.907 9.637 -5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.855 8.397 -6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.293 9.037 -7.270 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.099 10.419 -6.210 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.271 9.929 -8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.881 11.693 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.153 13.300 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.962 11.999 -7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.892 13.476 -7.829 1.00 0.00 H new ATOM 527 N MET A 74 -9.670 4.760 -4.857 1.00 0.00 N ATOM 528 CA MET A 74 -9.795 3.436 -5.507 1.00 0.00 C ATOM 529 C MET A 74 -10.402 2.399 -4.606 1.00 0.00 C ATOM 530 O MET A 74 -11.166 2.735 -3.724 1.00 0.00 O ATOM 531 CB MET A 74 -8.539 3.040 -5.945 1.00 0.00 C ATOM 532 CG MET A 74 -8.773 2.648 -7.469 1.00 0.00 C ATOM 533 SD MET A 74 -9.968 1.346 -7.875 1.00 0.00 S ATOM 534 CE MET A 74 -11.307 2.371 -8.538 1.00 0.00 C ATOM 0 H MET A 74 -9.912 4.758 -3.866 1.00 0.00 H new ATOM 0 HA MET A 74 -10.478 3.531 -6.351 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.809 3.844 -5.846 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.162 2.195 -5.368 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.080 3.551 -7.996 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.810 2.349 -7.882 1.00 0.00 H new ATOM 0 HE1 MET A 74 -11.814 1.833 -9.339 1.00 0.00 H new ATOM 0 HE2 MET A 74 -12.019 2.597 -7.745 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.894 3.300 -8.930 1.00 0.00 H new ATOM 544 N MET A 75 -9.996 1.186 -4.899 1.00 0.00 N ATOM 545 CA MET A 75 -10.417 -0.048 -4.167 1.00 0.00 C ATOM 546 C MET A 75 -10.486 -1.296 -5.037 1.00 0.00 C ATOM 547 O MET A 75 -11.008 -2.258 -4.510 1.00 0.00 O ATOM 548 CB MET A 75 -11.831 0.072 -3.586 1.00 0.00 C ATOM 549 CG MET A 75 -12.804 0.273 -4.766 1.00 0.00 C ATOM 550 SD MET A 75 -14.558 0.450 -4.352 1.00 0.00 S ATOM 551 CE MET A 75 -14.509 2.189 -3.856 1.00 0.00 C ATOM 0 H MET A 75 -9.350 0.995 -5.665 1.00 0.00 H new ATOM 0 HA MET A 75 -9.647 -0.142 -3.401 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.091 -0.825 -3.023 1.00 0.00 H new ATOM 0 HB3 MET A 75 -11.890 0.911 -2.893 1.00 0.00 H new ATOM 0 HG2 MET A 75 -12.493 1.161 -5.316 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.698 -0.575 -5.443 1.00 0.00 H new ATOM 0 HE1 MET A 75 -15.507 2.510 -3.556 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.822 2.309 -3.018 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.169 2.797 -4.694 1.00 0.00 H new ATOM 561 N THR A 76 -10.009 -1.351 -6.266 1.00 0.00 N ATOM 562 CA THR A 76 -10.245 -2.689 -6.911 1.00 0.00 C ATOM 563 C THR A 76 -9.221 -3.734 -7.230 1.00 0.00 C ATOM 564 O THR A 76 -8.145 -3.507 -7.750 1.00 0.00 O ATOM 565 CB THR A 76 -11.009 -2.510 -8.177 1.00 0.00 C ATOM 566 OG1 THR A 76 -11.741 -3.725 -8.214 1.00 0.00 O ATOM 567 CG2 THR A 76 -10.197 -2.709 -9.415 1.00 0.00 C ATOM 0 H THR A 76 -9.525 -0.627 -6.797 1.00 0.00 H new ATOM 0 HA THR A 76 -10.704 -3.125 -6.024 1.00 0.00 H new ATOM 0 HB THR A 76 -11.486 -1.530 -8.173 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.304 -3.743 -9.016 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.828 -2.561 -10.292 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.377 -1.991 -9.432 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.793 -3.721 -9.426 1.00 0.00 H new ATOM 575 N ARG A 77 -9.654 -4.887 -6.845 1.00 0.00 N ATOM 576 CA ARG A 77 -8.814 -6.071 -7.086 1.00 0.00 C ATOM 577 C ARG A 77 -9.389 -7.171 -8.042 1.00 0.00 C ATOM 578 O ARG A 77 -9.844 -6.932 -9.142 1.00 0.00 O ATOM 579 CB ARG A 77 -8.395 -6.781 -5.888 1.00 0.00 C ATOM 580 CG ARG A 77 -7.045 -7.700 -6.537 1.00 0.00 C ATOM 581 CD ARG A 77 -6.003 -6.950 -7.489 1.00 0.00 C ATOM 582 NE ARG A 77 -6.614 -6.703 -8.830 1.00 0.00 N ATOM 583 CZ ARG A 77 -6.051 -7.184 -9.906 1.00 0.00 C ATOM 584 NH1 ARG A 77 -5.508 -8.369 -9.870 1.00 0.00 N ATOM 585 NH2 ARG A 77 -6.055 -6.457 -10.990 1.00 0.00 N ATOM 0 H ARG A 77 -10.544 -5.060 -6.378 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.976 -5.573 -7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.093 -6.106 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.181 -7.421 -5.486 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.489 -8.112 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.454 -8.544 -7.092 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.703 -6.004 -7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.101 -7.552 -7.598 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.473 -6.158 -8.905 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.525 -8.912 -9.007 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.066 -8.753 -10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.491 -5.535 -10.984 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.622 -6.811 -11.843 1.00 0.00 H new ATOM 599 N ARG A 78 -9.303 -8.360 -7.486 1.00 0.00 N ATOM 600 CA ARG A 78 -9.702 -9.719 -7.934 1.00 0.00 C ATOM 601 C ARG A 78 -10.000 -10.429 -6.622 1.00 0.00 C ATOM 602 O ARG A 78 -9.640 -11.578 -6.452 1.00 0.00 O ATOM 603 CB ARG A 78 -8.556 -10.470 -8.542 1.00 0.00 C ATOM 604 CG ARG A 78 -8.155 -9.858 -9.882 1.00 0.00 C ATOM 605 CD ARG A 78 -9.264 -10.141 -10.899 1.00 0.00 C ATOM 606 NE ARG A 78 -8.821 -9.630 -12.223 1.00 0.00 N ATOM 607 CZ ARG A 78 -9.548 -8.738 -12.835 1.00 0.00 C ATOM 608 NH1 ARG A 78 -10.613 -9.131 -13.479 1.00 0.00 N ATOM 609 NH2 ARG A 78 -9.186 -7.484 -12.784 1.00 0.00 N ATOM 0 H ARG A 78 -8.886 -8.426 -6.557 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.509 -9.668 -8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.705 -10.456 -7.862 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.834 -11.514 -8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.003 -8.784 -9.777 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.211 -10.282 -10.224 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.467 -11.211 -10.953 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.191 -9.656 -10.595 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.959 -9.973 -12.647 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.862 -10.120 -13.497 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.196 -8.449 -13.965 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.346 -7.216 -12.271 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.743 -6.773 -13.257 1.00 0.00 H new ATOM 623 N ILE A 79 -10.637 -9.723 -5.741 1.00 0.00 N ATOM 624 CA ILE A 79 -10.975 -10.313 -4.412 1.00 0.00 C ATOM 625 C ILE A 79 -11.206 -11.809 -4.298 1.00 0.00 C ATOM 626 O ILE A 79 -11.826 -12.452 -5.119 1.00 0.00 O ATOM 627 CB ILE A 79 -12.188 -9.569 -3.866 1.00 0.00 C ATOM 628 CG1 ILE A 79 -13.216 -9.133 -4.938 1.00 0.00 C ATOM 629 CG2 ILE A 79 -11.553 -8.355 -3.251 1.00 0.00 C ATOM 630 CD1 ILE A 79 -13.793 -10.328 -5.702 1.00 0.00 C ATOM 0 H ILE A 79 -10.942 -8.759 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.061 -10.184 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 79 -12.769 -10.200 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -14.027 -8.583 -4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -12.739 -8.450 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.325 -7.722 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.854 -8.664 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.018 -7.796 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -14.509 -9.974 -6.443 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -12.986 -10.863 -6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -14.294 -10.998 -5.004 1.00 0.00 H new ATOM 642 N MET A 80 -10.665 -12.310 -3.226 1.00 0.00 N ATOM 643 CA MET A 80 -10.794 -13.770 -2.966 1.00 0.00 C ATOM 644 C MET A 80 -10.862 -14.172 -1.495 1.00 0.00 C ATOM 645 O MET A 80 -10.087 -14.979 -1.023 1.00 0.00 O ATOM 646 CB MET A 80 -9.613 -14.451 -3.664 1.00 0.00 C ATOM 647 CG MET A 80 -8.293 -13.794 -3.227 1.00 0.00 C ATOM 648 SD MET A 80 -6.777 -14.417 -3.995 1.00 0.00 S ATOM 649 CE MET A 80 -6.844 -13.379 -5.476 1.00 0.00 C ATOM 0 H MET A 80 -10.145 -11.781 -2.526 1.00 0.00 H new ATOM 0 HA MET A 80 -11.757 -14.093 -3.361 1.00 0.00 H new ATOM 0 HB2 MET A 80 -9.599 -15.513 -3.419 1.00 0.00 H new ATOM 0 HB3 MET A 80 -9.726 -14.375 -4.745 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.362 -12.725 -3.430 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.198 -13.908 -2.147 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.986 -13.597 -6.112 1.00 0.00 H new ATOM 0 HE2 MET A 80 -7.764 -13.585 -6.024 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.823 -12.329 -5.185 1.00 0.00 H new ATOM 659 N GLY A 81 -11.803 -13.587 -0.813 1.00 0.00 N ATOM 660 CA GLY A 81 -11.982 -13.896 0.637 1.00 0.00 C ATOM 661 C GLY A 81 -11.666 -12.722 1.564 1.00 0.00 C ATOM 662 O GLY A 81 -12.491 -11.853 1.761 1.00 0.00 O ATOM 0 H GLY A 81 -12.459 -12.906 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.011 -14.213 0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.341 -14.737 0.901 1.00 0.00 H new ATOM 666 N LYS A 82 -10.476 -12.731 2.109 1.00 0.00 N ATOM 667 CA LYS A 82 -10.072 -11.632 3.034 1.00 0.00 C ATOM 668 C LYS A 82 -8.781 -10.962 2.598 1.00 0.00 C ATOM 669 O LYS A 82 -8.418 -9.955 3.166 1.00 0.00 O ATOM 670 CB LYS A 82 -9.919 -12.205 4.450 1.00 0.00 C ATOM 671 CG LYS A 82 -11.257 -12.851 4.848 1.00 0.00 C ATOM 672 CD LYS A 82 -11.245 -14.356 4.519 1.00 0.00 C ATOM 673 CE LYS A 82 -12.651 -14.911 4.745 1.00 0.00 C ATOM 674 NZ LYS A 82 -13.052 -14.734 6.168 1.00 0.00 N ATOM 0 H LYS A 82 -9.769 -13.450 1.953 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.849 -10.867 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.117 -12.942 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.652 -11.416 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.435 -12.707 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.076 -12.363 4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.936 -14.516 3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.526 -14.877 5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.360 -14.400 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.679 -15.968 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.871 -15.341 6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.259 -14.998 6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.306 -13.740 6.336 1.00 0.00 H new ATOM 688 N ALA A 83 -8.110 -11.534 1.632 1.00 0.00 N ATOM 689 CA ALA A 83 -6.857 -10.950 1.120 1.00 0.00 C ATOM 690 C ALA A 83 -7.120 -10.726 -0.387 1.00 0.00 C ATOM 691 O ALA A 83 -7.962 -11.375 -0.976 1.00 0.00 O ATOM 692 CB ALA A 83 -5.830 -11.872 1.228 1.00 0.00 C ATOM 0 H ALA A 83 -8.393 -12.400 1.173 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.583 -10.045 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.907 -11.434 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.697 -12.148 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.076 -12.761 0.647 1.00 0.00 H new ATOM 698 N SER A 84 -6.397 -9.819 -0.965 1.00 0.00 N ATOM 699 CA SER A 84 -6.532 -9.479 -2.411 1.00 0.00 C ATOM 700 C SER A 84 -5.216 -8.770 -2.659 1.00 0.00 C ATOM 701 O SER A 84 -4.266 -8.838 -1.908 1.00 0.00 O ATOM 702 CB SER A 84 -7.669 -8.515 -2.603 1.00 0.00 C ATOM 703 OG SER A 84 -8.081 -8.735 -3.941 1.00 0.00 O ATOM 0 H SER A 84 -5.686 -9.273 -0.477 1.00 0.00 H new ATOM 0 HA SER A 84 -6.727 -10.329 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.479 -8.707 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.349 -7.485 -2.448 1.00 0.00 H new ATOM 0 HG SER A 84 -7.511 -9.419 -4.350 1.00 0.00 H new ATOM 709 N PHE A 85 -5.246 -8.107 -3.755 1.00 0.00 N ATOM 710 CA PHE A 85 -4.102 -7.312 -4.234 1.00 0.00 C ATOM 711 C PHE A 85 -4.872 -6.087 -4.632 1.00 0.00 C ATOM 712 O PHE A 85 -6.041 -6.238 -4.795 1.00 0.00 O ATOM 713 CB PHE A 85 -3.526 -8.012 -5.414 1.00 0.00 C ATOM 714 CG PHE A 85 -2.710 -9.266 -5.087 1.00 0.00 C ATOM 715 CD1 PHE A 85 -3.351 -10.488 -5.019 1.00 0.00 C ATOM 716 CD2 PHE A 85 -1.345 -9.209 -4.876 1.00 0.00 C ATOM 717 CE1 PHE A 85 -2.641 -11.638 -4.744 1.00 0.00 C ATOM 718 CE2 PHE A 85 -0.636 -10.360 -4.602 1.00 0.00 C ATOM 719 CZ PHE A 85 -1.281 -11.574 -4.536 1.00 0.00 C ATOM 0 H PHE A 85 -6.057 -8.080 -4.373 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.267 -7.133 -3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.339 -8.290 -6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.889 -7.314 -5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.417 -10.543 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.832 -8.260 -4.926 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -3.151 -12.588 -4.692 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.430 -10.308 -4.438 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.723 -12.473 -4.322 1.00 0.00 H new ATOM 729 N VAL A 86 -4.396 -4.899 -4.760 1.00 0.00 N ATOM 730 CA VAL A 86 -5.397 -3.880 -5.208 1.00 0.00 C ATOM 731 C VAL A 86 -4.796 -2.733 -5.933 1.00 0.00 C ATOM 732 O VAL A 86 -3.624 -2.469 -5.801 1.00 0.00 O ATOM 733 CB VAL A 86 -6.140 -3.372 -4.027 1.00 0.00 C ATOM 734 CG1 VAL A 86 -6.312 -1.849 -3.956 1.00 0.00 C ATOM 735 CG2 VAL A 86 -7.532 -4.025 -4.146 1.00 0.00 C ATOM 0 H VAL A 86 -3.439 -4.588 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.061 -4.383 -5.910 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.579 -3.620 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.868 -1.587 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.332 -1.373 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.859 -1.503 -4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.156 -3.706 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.998 -3.721 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.428 -5.110 -4.128 1.00 0.00 H new ATOM 745 N THR A 87 -5.617 -2.071 -6.690 1.00 0.00 N ATOM 746 CA THR A 87 -5.074 -0.921 -7.422 1.00 0.00 C ATOM 747 C THR A 87 -5.907 0.294 -7.060 1.00 0.00 C ATOM 748 O THR A 87 -7.138 0.235 -6.975 1.00 0.00 O ATOM 749 CB THR A 87 -5.142 -1.199 -8.910 1.00 0.00 C ATOM 750 OG1 THR A 87 -4.652 -2.527 -9.028 1.00 0.00 O ATOM 751 CG2 THR A 87 -4.043 -0.370 -9.582 1.00 0.00 C ATOM 0 H THR A 87 -6.608 -2.272 -6.827 1.00 0.00 H new ATOM 0 HA THR A 87 -4.032 -0.741 -7.158 1.00 0.00 H new ATOM 0 HB THR A 87 -6.133 -1.011 -9.322 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.661 -2.797 -9.970 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.062 -0.545 -10.658 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.213 0.688 -9.384 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.072 -0.662 -9.183 1.00 0.00 H new ATOM 759 N LEU A 88 -5.094 1.314 -6.851 1.00 0.00 N ATOM 760 CA LEU A 88 -5.574 2.660 -6.487 1.00 0.00 C ATOM 761 C LEU A 88 -5.153 3.759 -7.405 1.00 0.00 C ATOM 762 O LEU A 88 -4.211 3.580 -8.144 1.00 0.00 O ATOM 763 CB LEU A 88 -5.078 3.057 -5.186 1.00 0.00 C ATOM 764 CG LEU A 88 -5.881 2.438 -4.103 1.00 0.00 C ATOM 765 CD1 LEU A 88 -4.886 1.807 -3.195 1.00 0.00 C ATOM 766 CD2 LEU A 88 -6.568 3.602 -3.384 1.00 0.00 C ATOM 0 H LEU A 88 -4.079 1.245 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.657 2.549 -6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.034 2.761 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.112 4.143 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.618 1.709 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.404 1.326 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.312 1.061 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.211 2.570 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.180 3.216 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.813 4.278 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.201 4.142 -4.088 1.00 0.00 H new ATOM 778 N GLN A 89 -5.856 4.865 -7.317 1.00 0.00 N ATOM 779 CA GLN A 89 -5.478 5.991 -8.203 1.00 0.00 C ATOM 780 C GLN A 89 -5.196 7.248 -7.362 1.00 0.00 C ATOM 781 O GLN A 89 -5.759 7.392 -6.295 1.00 0.00 O ATOM 782 CB GLN A 89 -6.651 6.181 -9.134 1.00 0.00 C ATOM 783 CG GLN A 89 -7.097 7.624 -9.092 1.00 0.00 C ATOM 784 CD GLN A 89 -8.292 7.809 -10.022 1.00 0.00 C ATOM 785 OE1 GLN A 89 -9.345 7.239 -9.823 1.00 0.00 O ATOM 786 NE2 GLN A 89 -8.165 8.601 -11.052 1.00 0.00 N ATOM 0 H GLN A 89 -6.645 5.026 -6.692 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.568 5.795 -8.769 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.371 5.905 -10.151 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.472 5.527 -8.841 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.367 7.904 -8.074 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.280 8.278 -9.396 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.281 9.081 -11.221 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.950 8.740 -11.688 1.00 0.00 H new ATOM 795 N ASP A 90 -4.345 8.128 -7.830 1.00 0.00 N ATOM 796 CA ASP A 90 -4.069 9.353 -7.044 1.00 0.00 C ATOM 797 C ASP A 90 -3.790 10.466 -8.037 1.00 0.00 C ATOM 798 O ASP A 90 -3.879 10.281 -9.234 1.00 0.00 O ATOM 799 CB ASP A 90 -2.872 9.096 -6.097 1.00 0.00 C ATOM 800 CG ASP A 90 -1.653 8.523 -6.809 1.00 0.00 C ATOM 801 OD1 ASP A 90 -1.042 9.268 -7.552 1.00 0.00 O ATOM 802 OD2 ASP A 90 -1.406 7.356 -6.561 1.00 0.00 O ATOM 0 H ASP A 90 -3.839 8.047 -8.712 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.913 9.637 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.594 10.032 -5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.181 8.408 -5.310 1.00 0.00 H new ATOM 807 N VAL A 91 -3.471 11.594 -7.482 1.00 0.00 N ATOM 808 CA VAL A 91 -3.155 12.820 -8.200 1.00 0.00 C ATOM 809 C VAL A 91 -2.162 12.514 -9.298 1.00 0.00 C ATOM 810 O VAL A 91 -2.262 12.907 -10.443 1.00 0.00 O ATOM 811 CB VAL A 91 -2.538 13.754 -7.268 1.00 0.00 C ATOM 812 CG1 VAL A 91 -2.939 15.148 -7.662 1.00 0.00 C ATOM 813 CG2 VAL A 91 -2.674 13.398 -5.831 1.00 0.00 C ATOM 0 H VAL A 91 -3.417 11.705 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.063 13.244 -8.628 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.454 13.689 -7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.487 15.864 -6.976 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.597 15.352 -8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.024 15.240 -7.620 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.182 14.155 -5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.730 13.349 -5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.210 12.428 -5.651 1.00 0.00 H new ATOM 823 N GLY A 92 -1.209 11.776 -8.811 1.00 0.00 N ATOM 824 CA GLY A 92 -0.069 11.318 -9.650 1.00 0.00 C ATOM 825 C GLY A 92 -0.464 10.240 -10.645 1.00 0.00 C ATOM 826 O GLY A 92 0.162 10.113 -11.679 1.00 0.00 O ATOM 0 H GLY A 92 -1.171 11.462 -7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.344 12.170 -10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.721 10.937 -9.004 1.00 0.00 H new ATOM 830 N GLY A 93 -1.482 9.488 -10.329 1.00 0.00 N ATOM 831 CA GLY A 93 -1.894 8.418 -11.286 1.00 0.00 C ATOM 832 C GLY A 93 -2.077 7.148 -10.488 1.00 0.00 C ATOM 833 O GLY A 93 -2.174 7.220 -9.282 1.00 0.00 O ATOM 0 H GLY A 93 -2.034 9.562 -9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.820 8.691 -11.792 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.137 8.281 -12.058 1.00 0.00 H new ATOM 837 N ARG A 94 -2.117 6.006 -11.117 1.00 0.00 N ATOM 838 CA ARG A 94 -2.307 4.809 -10.286 1.00 0.00 C ATOM 839 C ARG A 94 -1.052 4.048 -9.926 1.00 0.00 C ATOM 840 O ARG A 94 -0.046 4.044 -10.606 1.00 0.00 O ATOM 841 CB ARG A 94 -3.159 3.841 -10.970 1.00 0.00 C ATOM 842 CG ARG A 94 -4.577 4.247 -11.127 1.00 0.00 C ATOM 843 CD ARG A 94 -4.757 5.456 -12.056 1.00 0.00 C ATOM 844 NE ARG A 94 -4.010 5.181 -13.314 1.00 0.00 N ATOM 845 CZ ARG A 94 -4.672 5.028 -14.427 1.00 0.00 C ATOM 846 NH1 ARG A 94 -5.504 4.026 -14.527 1.00 0.00 N ATOM 847 NH2 ARG A 94 -4.480 5.873 -15.401 1.00 0.00 N ATOM 0 H ARG A 94 -2.030 5.861 -12.123 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.739 5.214 -9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.742 3.648 -11.958 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.126 2.900 -10.421 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.148 3.406 -11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.992 4.484 -10.147 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.813 5.621 -12.268 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.382 6.362 -11.580 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.992 5.113 -13.305 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.625 3.383 -13.744 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.033 3.886 -15.388 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.819 6.641 -15.287 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.991 5.766 -16.277 1.00 0.00 H new ATOM 861 N ILE A 95 -1.228 3.419 -8.801 1.00 0.00 N ATOM 862 CA ILE A 95 -0.155 2.571 -8.193 1.00 0.00 C ATOM 863 C ILE A 95 -0.781 1.248 -7.745 1.00 0.00 C ATOM 864 O ILE A 95 -1.995 1.162 -7.669 1.00 0.00 O ATOM 865 CB ILE A 95 0.451 3.338 -6.999 1.00 0.00 C ATOM 866 CG1 ILE A 95 -0.268 3.075 -5.654 1.00 0.00 C ATOM 867 CG2 ILE A 95 0.310 4.828 -7.322 1.00 0.00 C ATOM 868 CD1 ILE A 95 -1.696 3.640 -5.617 1.00 0.00 C ATOM 0 H ILE A 95 -2.092 3.455 -8.260 1.00 0.00 H new ATOM 0 HA ILE A 95 0.639 2.355 -8.908 1.00 0.00 H new ATOM 0 HB ILE A 95 1.481 3.006 -6.873 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.303 2.001 -5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.313 3.517 -4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.725 5.418 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.848 5.053 -8.243 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.744 5.075 -7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.148 3.424 -4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.665 4.719 -5.770 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.290 3.179 -6.406 1.00 0.00 H new ATOM 880 N GLN A 96 0.028 0.252 -7.454 1.00 0.00 N ATOM 881 CA GLN A 96 -0.590 -1.031 -7.018 1.00 0.00 C ATOM 882 C GLN A 96 -0.113 -1.458 -5.620 1.00 0.00 C ATOM 883 O GLN A 96 0.976 -1.168 -5.149 1.00 0.00 O ATOM 884 CB GLN A 96 -0.245 -2.118 -8.025 1.00 0.00 C ATOM 885 CG GLN A 96 1.109 -2.668 -7.673 1.00 0.00 C ATOM 886 CD GLN A 96 1.568 -3.627 -8.764 1.00 0.00 C ATOM 887 OE1 GLN A 96 1.759 -3.252 -9.904 1.00 0.00 O ATOM 888 NE2 GLN A 96 1.753 -4.879 -8.450 1.00 0.00 N ATOM 0 H GLN A 96 1.047 0.273 -7.498 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.669 -0.883 -6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.995 -2.909 -8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.240 -1.712 -9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.826 -1.855 -7.564 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.065 -3.185 -6.714 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.593 -5.194 -7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.058 -5.543 -9.161 1.00 0.00 H new ATOM 897 N LEU A 97 -1.017 -2.172 -5.017 1.00 0.00 N ATOM 898 CA LEU A 97 -0.809 -2.706 -3.657 1.00 0.00 C ATOM 899 C LEU A 97 -1.050 -4.208 -3.656 1.00 0.00 C ATOM 900 O LEU A 97 -1.283 -4.856 -4.657 1.00 0.00 O ATOM 901 CB LEU A 97 -1.797 -2.211 -2.608 1.00 0.00 C ATOM 902 CG LEU A 97 -2.363 -0.836 -2.837 1.00 0.00 C ATOM 903 CD1 LEU A 97 -3.224 -0.562 -1.606 1.00 0.00 C ATOM 904 CD2 LEU A 97 -1.284 0.212 -2.898 1.00 0.00 C ATOM 0 H LEU A 97 -1.919 -2.412 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 97 0.203 -2.385 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.624 -2.919 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.302 -2.222 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.907 -0.797 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.677 0.426 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.008 -1.316 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.602 -0.600 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.736 1.190 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.733 0.222 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.601 -0.016 -3.716 1.00 0.00 H new ATOM 916 N TYR A 98 -0.974 -4.670 -2.443 1.00 0.00 N ATOM 917 CA TYR A 98 -1.171 -6.081 -2.087 1.00 0.00 C ATOM 918 C TYR A 98 -1.872 -5.915 -0.730 1.00 0.00 C ATOM 919 O TYR A 98 -1.322 -5.372 0.199 1.00 0.00 O ATOM 920 CB TYR A 98 0.221 -6.682 -2.087 1.00 0.00 C ATOM 921 CG TYR A 98 0.241 -8.124 -1.622 1.00 0.00 C ATOM 922 CD1 TYR A 98 -0.291 -8.538 -0.419 1.00 0.00 C ATOM 923 CD2 TYR A 98 0.839 -9.040 -2.445 1.00 0.00 C ATOM 924 CE1 TYR A 98 -0.197 -9.882 -0.072 1.00 0.00 C ATOM 925 CE2 TYR A 98 0.925 -10.356 -2.099 1.00 0.00 C ATOM 926 CZ TYR A 98 0.409 -10.794 -0.907 1.00 0.00 C ATOM 927 OH TYR A 98 0.493 -12.122 -0.543 1.00 0.00 O ATOM 0 H TYR A 98 -0.769 -4.077 -1.639 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.760 -6.745 -2.720 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.636 -6.624 -3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.868 -6.088 -1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.772 -7.832 0.242 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.251 -8.713 -3.388 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.607 -10.216 0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.402 -11.057 -2.768 1.00 0.00 H new ATOM 0 HH TYR A 98 0.950 -12.626 -1.248 1.00 0.00 H new ATOM 937 N VAL A 99 -3.078 -6.397 -0.649 1.00 0.00 N ATOM 938 CA VAL A 99 -3.920 -6.318 0.562 1.00 0.00 C ATOM 939 C VAL A 99 -3.847 -7.629 1.293 1.00 0.00 C ATOM 940 O VAL A 99 -4.222 -8.633 0.724 1.00 0.00 O ATOM 941 CB VAL A 99 -5.332 -6.094 0.161 1.00 0.00 C ATOM 942 CG1 VAL A 99 -5.855 -5.156 1.120 1.00 0.00 C ATOM 943 CG2 VAL A 99 -5.496 -5.487 -1.211 1.00 0.00 C ATOM 0 H VAL A 99 -3.536 -6.871 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.571 -5.503 1.196 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.843 -7.057 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.898 -4.941 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.787 -5.583 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.277 -4.233 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.556 -5.356 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.997 -4.518 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.053 -6.147 -1.956 1.00 0.00 H new ATOM 953 N ALA A 100 -3.379 -7.642 2.511 1.00 0.00 N ATOM 954 CA ALA A 100 -3.337 -8.966 3.157 1.00 0.00 C ATOM 955 C ALA A 100 -3.770 -9.103 4.621 1.00 0.00 C ATOM 956 O ALA A 100 -3.167 -8.523 5.502 1.00 0.00 O ATOM 957 CB ALA A 100 -1.951 -9.304 2.924 1.00 0.00 C ATOM 0 H ALA A 100 -3.045 -6.844 3.052 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.091 -9.635 2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.739 -10.285 3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.757 -9.325 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.311 -8.558 3.394 1.00 0.00 H new ATOM 963 N ARG A 101 -4.805 -9.875 4.817 1.00 0.00 N ATOM 964 CA ARG A 101 -5.360 -10.137 6.174 1.00 0.00 C ATOM 965 C ARG A 101 -4.950 -11.575 6.524 1.00 0.00 C ATOM 966 O ARG A 101 -5.756 -12.393 6.920 1.00 0.00 O ATOM 967 CB ARG A 101 -6.859 -10.022 6.092 1.00 0.00 C ATOM 968 CG ARG A 101 -7.212 -8.646 5.582 1.00 0.00 C ATOM 969 CD ARG A 101 -6.823 -7.595 6.640 1.00 0.00 C ATOM 970 NE ARG A 101 -5.511 -6.989 6.276 1.00 0.00 N ATOM 971 CZ ARG A 101 -5.399 -5.695 6.131 1.00 0.00 C ATOM 972 NH1 ARG A 101 -6.146 -4.901 6.850 1.00 0.00 N ATOM 973 NH2 ARG A 101 -4.539 -5.238 5.263 1.00 0.00 N ATOM 0 H ARG A 101 -5.304 -10.350 4.065 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.996 -9.438 6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -7.261 -10.786 5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.305 -10.187 7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.689 -8.447 4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -8.279 -8.587 5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.589 -6.822 6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.761 -8.059 7.624 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.696 -7.587 6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.810 -5.292 7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.065 -3.890 6.743 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.973 -5.887 4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.433 -4.232 5.131 1.00 0.00 H new ATOM 987 N ASP A 102 -3.677 -11.809 6.356 1.00 0.00 N ATOM 988 CA ASP A 102 -3.057 -13.138 6.629 1.00 0.00 C ATOM 989 C ASP A 102 -3.343 -13.714 8.010 1.00 0.00 C ATOM 990 O ASP A 102 -3.523 -14.905 8.164 1.00 0.00 O ATOM 991 CB ASP A 102 -1.550 -13.011 6.453 1.00 0.00 C ATOM 992 CG ASP A 102 -0.907 -14.365 6.776 1.00 0.00 C ATOM 993 OD1 ASP A 102 -1.246 -15.305 6.079 1.00 0.00 O ATOM 994 OD2 ASP A 102 -0.116 -14.383 7.704 1.00 0.00 O ATOM 0 H ASP A 102 -3.016 -11.105 6.028 1.00 0.00 H new ATOM 0 HA ASP A 102 -3.507 -13.833 5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -1.312 -12.712 5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.155 -12.237 7.112 1.00 0.00 H new ATOM 999 N ASP A 103 -3.378 -12.847 8.978 1.00 0.00 N ATOM 1000 CA ASP A 103 -3.644 -13.325 10.364 1.00 0.00 C ATOM 1001 C ASP A 103 -5.067 -13.069 10.845 1.00 0.00 C ATOM 1002 O ASP A 103 -5.759 -13.982 11.251 1.00 0.00 O ATOM 1003 CB ASP A 103 -2.696 -12.659 11.262 1.00 0.00 C ATOM 1004 CG ASP A 103 -1.262 -13.075 10.922 1.00 0.00 C ATOM 1005 OD1 ASP A 103 -0.793 -12.640 9.883 1.00 0.00 O ATOM 1006 OD2 ASP A 103 -0.717 -13.811 11.727 1.00 0.00 O ATOM 0 H ASP A 103 -3.237 -11.842 8.876 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.519 -14.408 10.366 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.799 -11.577 11.174 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -2.921 -12.917 12.297 1.00 0.00 H new ATOM 1011 N LEU A 104 -5.462 -11.831 10.785 1.00 0.00 N ATOM 1012 CA LEU A 104 -6.832 -11.452 11.220 1.00 0.00 C ATOM 1013 C LEU A 104 -7.598 -11.212 9.923 1.00 0.00 C ATOM 1014 O LEU A 104 -7.339 -10.208 9.294 1.00 0.00 O ATOM 1015 CB LEU A 104 -6.784 -10.165 12.025 1.00 0.00 C ATOM 1016 CG LEU A 104 -6.395 -10.408 13.495 1.00 0.00 C ATOM 1017 CD1 LEU A 104 -4.968 -10.952 13.623 1.00 0.00 C ATOM 1018 CD2 LEU A 104 -6.478 -9.071 14.232 1.00 0.00 C ATOM 0 H LEU A 104 -4.888 -11.057 10.450 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.292 -12.217 11.845 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.067 -9.481 11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.758 -9.678 11.985 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.075 -11.146 13.919 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.732 -11.110 14.675 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.890 -11.898 13.088 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.266 -10.235 13.197 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.207 -9.215 15.278 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.791 -8.360 13.773 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.495 -8.684 14.171 1.00 0.00 H new ATOM 1030 N PRO A 105 -8.487 -12.108 9.554 1.00 0.00 N ATOM 1031 CA PRO A 105 -9.136 -12.149 8.210 1.00 0.00 C ATOM 1032 C PRO A 105 -10.224 -11.078 8.056 1.00 0.00 C ATOM 1033 O PRO A 105 -11.393 -11.345 7.857 1.00 0.00 O ATOM 1034 CB PRO A 105 -9.658 -13.573 8.130 1.00 0.00 C ATOM 1035 CG PRO A 105 -10.137 -13.796 9.582 1.00 0.00 C ATOM 1036 CD PRO A 105 -8.980 -13.214 10.419 1.00 0.00 C ATOM 0 HA PRO A 105 -8.457 -11.916 7.390 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.469 -13.675 7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.882 -14.281 7.839 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -11.078 -13.282 9.781 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -10.299 -14.852 9.796 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -9.322 -12.851 11.388 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.205 -13.956 10.612 1.00 0.00 H new ATOM 1044 N GLU A 106 -9.756 -9.874 8.166 1.00 0.00 N ATOM 1045 CA GLU A 106 -10.466 -8.644 8.080 1.00 0.00 C ATOM 1046 C GLU A 106 -10.987 -8.089 6.781 1.00 0.00 C ATOM 1047 O GLU A 106 -10.792 -8.588 5.690 1.00 0.00 O ATOM 1048 CB GLU A 106 -9.534 -7.719 8.726 1.00 0.00 C ATOM 1049 CG GLU A 106 -9.935 -7.723 10.112 1.00 0.00 C ATOM 1050 CD GLU A 106 -8.990 -6.866 10.962 1.00 0.00 C ATOM 1051 OE1 GLU A 106 -8.090 -6.288 10.374 1.00 0.00 O ATOM 1052 OE2 GLU A 106 -9.225 -6.842 12.159 1.00 0.00 O ATOM 0 H GLU A 106 -8.763 -9.717 8.336 1.00 0.00 H new ATOM 0 HA GLU A 106 -11.445 -8.813 8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.501 -8.048 8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.601 -6.720 8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -10.953 -7.344 10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.942 -8.746 10.489 1.00 0.00 H new ATOM 1059 N GLY A 107 -11.662 -7.009 7.049 1.00 0.00 N ATOM 1060 CA GLY A 107 -12.309 -6.199 5.979 1.00 0.00 C ATOM 1061 C GLY A 107 -11.934 -4.753 6.250 1.00 0.00 C ATOM 1062 O GLY A 107 -12.618 -3.810 5.906 1.00 0.00 O ATOM 0 H GLY A 107 -11.796 -6.643 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.964 -6.511 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.391 -6.329 5.994 1.00 0.00 H new ATOM 1066 N VAL A 108 -10.807 -4.681 6.894 1.00 0.00 N ATOM 1067 CA VAL A 108 -10.131 -3.464 7.305 1.00 0.00 C ATOM 1068 C VAL A 108 -9.206 -3.102 6.159 1.00 0.00 C ATOM 1069 O VAL A 108 -8.615 -2.053 6.033 1.00 0.00 O ATOM 1070 CB VAL A 108 -9.395 -3.799 8.483 1.00 0.00 C ATOM 1071 CG1 VAL A 108 -8.691 -2.572 9.049 1.00 0.00 C ATOM 1072 CG2 VAL A 108 -10.455 -4.289 9.418 1.00 0.00 C ATOM 0 H VAL A 108 -10.294 -5.519 7.169 1.00 0.00 H new ATOM 0 HA VAL A 108 -10.794 -2.626 7.520 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.609 -4.534 8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.137 -2.851 9.945 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.001 -2.173 8.306 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.431 -1.812 9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.000 -4.577 10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -11.182 -3.496 9.591 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -10.957 -5.152 8.979 1.00 0.00 H new ATOM 1082 N TYR A 109 -9.159 -4.109 5.362 1.00 0.00 N ATOM 1083 CA TYR A 109 -8.411 -4.222 4.119 1.00 0.00 C ATOM 1084 C TYR A 109 -9.088 -3.649 2.875 1.00 0.00 C ATOM 1085 O TYR A 109 -9.637 -2.576 2.848 1.00 0.00 O ATOM 1086 CB TYR A 109 -8.128 -5.778 4.227 1.00 0.00 C ATOM 1087 CG TYR A 109 -8.519 -6.720 3.086 1.00 0.00 C ATOM 1088 CD1 TYR A 109 -9.856 -6.995 2.782 1.00 0.00 C ATOM 1089 CD2 TYR A 109 -7.534 -7.285 2.333 1.00 0.00 C ATOM 1090 CE1 TYR A 109 -10.152 -7.830 1.732 1.00 0.00 C ATOM 1091 CE2 TYR A 109 -7.823 -8.105 1.286 1.00 0.00 C ATOM 1092 CZ TYR A 109 -9.147 -8.391 0.973 1.00 0.00 C ATOM 1093 OH TYR A 109 -9.497 -9.227 -0.063 1.00 0.00 O ATOM 0 H TYR A 109 -9.683 -4.961 5.563 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.515 -3.614 3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -7.057 -5.900 4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -8.631 -6.135 5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -10.649 -6.555 3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.501 -7.078 2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -11.183 -8.049 1.499 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -7.024 -8.533 0.699 1.00 0.00 H new ATOM 0 HH TYR A 109 -10.451 -9.120 -0.262 1.00 0.00 H new ATOM 1103 N ASN A 110 -8.993 -4.404 1.845 1.00 0.00 N ATOM 1104 CA ASN A 110 -9.542 -4.142 0.517 1.00 0.00 C ATOM 1105 C ASN A 110 -11.016 -3.896 0.695 1.00 0.00 C ATOM 1106 O ASN A 110 -11.697 -3.328 -0.139 1.00 0.00 O ATOM 1107 CB ASN A 110 -9.347 -5.354 -0.402 1.00 0.00 C ATOM 1108 CG ASN A 110 -9.724 -5.001 -1.844 1.00 0.00 C ATOM 1109 OD1 ASN A 110 -10.052 -3.878 -2.167 1.00 0.00 O ATOM 1110 ND2 ASN A 110 -9.688 -5.944 -2.746 1.00 0.00 N ATOM 0 H ASN A 110 -8.497 -5.294 1.884 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.038 -3.289 0.064 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.309 -5.685 -0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.960 -6.185 -0.053 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.934 -5.734 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -9.413 -6.891 -2.483 1.00 0.00 H new ATOM 1117 N GLU A 111 -11.479 -4.321 1.834 1.00 0.00 N ATOM 1118 CA GLU A 111 -12.865 -4.189 2.050 1.00 0.00 C ATOM 1119 C GLU A 111 -13.184 -2.904 2.636 1.00 0.00 C ATOM 1120 O GLU A 111 -14.214 -2.338 2.373 1.00 0.00 O ATOM 1121 CB GLU A 111 -13.305 -5.245 2.923 1.00 0.00 C ATOM 1122 CG GLU A 111 -14.716 -5.223 2.560 1.00 0.00 C ATOM 1123 CD GLU A 111 -15.578 -5.101 3.814 1.00 0.00 C ATOM 1124 OE1 GLU A 111 -15.572 -6.057 4.572 1.00 0.00 O ATOM 1125 OE2 GLU A 111 -16.187 -4.050 3.939 1.00 0.00 O ATOM 0 H GLU A 111 -10.936 -4.742 2.588 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.377 -4.256 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.825 -6.201 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.132 -5.027 3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.914 -4.386 1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.975 -6.133 2.019 1.00 0.00 H new ATOM 1132 N GLN A 112 -12.288 -2.510 3.457 1.00 0.00 N ATOM 1133 CA GLN A 112 -12.431 -1.256 4.117 1.00 0.00 C ATOM 1134 C GLN A 112 -12.569 -0.391 2.874 1.00 0.00 C ATOM 1135 O GLN A 112 -13.567 0.268 2.699 1.00 0.00 O ATOM 1136 CB GLN A 112 -11.202 -1.215 4.816 1.00 0.00 C ATOM 1137 CG GLN A 112 -11.474 -0.371 5.989 1.00 0.00 C ATOM 1138 CD GLN A 112 -10.265 0.299 6.642 1.00 0.00 C ATOM 1139 OE1 GLN A 112 -9.159 0.429 5.973 1.00 0.00 O flip ATOM 1140 NE2 GLN A 112 -10.323 0.725 7.778 1.00 0.00 N flip ATOM 0 H GLN A 112 -11.444 -3.032 3.694 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.221 -1.002 4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.880 -2.214 5.112 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.408 -0.794 4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.177 0.408 5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.973 -0.982 6.741 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -11.185 0.630 8.315 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.510 1.178 8.195 1.00 0.00 H new ATOM 1149 N PHE A 113 -11.564 -0.428 2.038 1.00 0.00 N ATOM 1150 CA PHE A 113 -11.617 0.383 0.776 1.00 0.00 C ATOM 1151 C PHE A 113 -13.000 0.256 0.154 1.00 0.00 C ATOM 1152 O PHE A 113 -13.555 1.202 -0.370 1.00 0.00 O ATOM 1153 CB PHE A 113 -10.793 -0.095 -0.370 1.00 0.00 C ATOM 1154 CG PHE A 113 -9.258 0.047 -0.369 1.00 0.00 C ATOM 1155 CD1 PHE A 113 -8.692 1.254 -0.026 1.00 0.00 C ATOM 1156 CD2 PHE A 113 -8.408 -0.993 -0.724 1.00 0.00 C ATOM 1157 CE1 PHE A 113 -7.330 1.421 -0.031 1.00 0.00 C ATOM 1158 CE2 PHE A 113 -7.045 -0.824 -0.729 1.00 0.00 C ATOM 1159 CZ PHE A 113 -6.503 0.385 -0.382 1.00 0.00 C ATOM 0 H PHE A 113 -10.715 -0.978 2.169 1.00 0.00 H new ATOM 0 HA PHE A 113 -11.285 1.361 1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -11.014 -1.155 -0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -11.159 0.418 -1.260 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -9.329 2.081 0.251 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.826 -1.950 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.906 2.376 0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.400 -1.645 -1.007 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.432 0.521 -0.385 1.00 0.00 H new ATOM 1169 N LYS A 114 -13.516 -0.942 0.247 1.00 0.00 N ATOM 1170 CA LYS A 114 -14.866 -1.156 -0.364 1.00 0.00 C ATOM 1171 C LYS A 114 -15.974 -0.436 0.389 1.00 0.00 C ATOM 1172 O LYS A 114 -16.916 0.070 -0.187 1.00 0.00 O ATOM 1173 CB LYS A 114 -15.181 -2.654 -0.395 1.00 0.00 C ATOM 1174 CG LYS A 114 -16.350 -2.908 -1.346 1.00 0.00 C ATOM 1175 CD LYS A 114 -16.647 -4.410 -1.329 1.00 0.00 C ATOM 1176 CE LYS A 114 -17.799 -4.704 -2.293 1.00 0.00 C ATOM 1177 NZ LYS A 114 -17.396 -4.370 -3.687 1.00 0.00 N ATOM 0 H LYS A 114 -13.087 -1.750 0.698 1.00 0.00 H new ATOM 0 HA LYS A 114 -14.829 -0.743 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -14.305 -3.214 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -15.430 -3.005 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -17.227 -2.341 -1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -16.101 -2.579 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -15.760 -4.972 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -16.910 -4.730 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -18.078 -5.756 -2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -18.677 -4.123 -2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -18.017 -4.868 -4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -17.479 -3.344 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.411 -4.664 -3.843 1.00 0.00 H new ATOM 1191 N LYS A 115 -15.810 -0.418 1.674 1.00 0.00 N ATOM 1192 CA LYS A 115 -16.693 0.175 2.618 1.00 0.00 C ATOM 1193 C LYS A 115 -16.789 1.644 2.357 1.00 0.00 C ATOM 1194 O LYS A 115 -17.840 2.224 2.548 1.00 0.00 O ATOM 1195 CB LYS A 115 -16.108 -0.163 3.949 1.00 0.00 C ATOM 1196 CG LYS A 115 -17.242 -0.434 4.834 1.00 0.00 C ATOM 1197 CD LYS A 115 -16.731 -0.636 6.261 1.00 0.00 C ATOM 1198 CE LYS A 115 -17.925 -0.895 7.183 1.00 0.00 C ATOM 1199 NZ LYS A 115 -18.849 0.275 7.167 1.00 0.00 N ATOM 0 H LYS A 115 -14.998 -0.848 2.118 1.00 0.00 H new ATOM 0 HA LYS A 115 -17.718 -0.191 2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -15.453 -1.031 3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -15.505 0.661 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.949 0.395 4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.777 -1.322 4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -16.037 -1.476 6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.182 0.245 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.455 -1.791 6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -17.576 -1.079 8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -19.162 0.484 8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -18.355 1.103 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.676 0.056 6.576 1.00 0.00 H new ATOM 1213 N TRP A 116 -15.706 2.238 1.920 1.00 0.00 N ATOM 1214 CA TRP A 116 -15.842 3.676 1.697 1.00 0.00 C ATOM 1215 C TRP A 116 -16.252 3.871 0.252 1.00 0.00 C ATOM 1216 O TRP A 116 -16.359 2.927 -0.506 1.00 0.00 O ATOM 1217 CB TRP A 116 -14.551 4.338 1.895 1.00 0.00 C ATOM 1218 CG TRP A 116 -13.507 3.596 2.667 1.00 0.00 C ATOM 1219 CD1 TRP A 116 -13.801 2.698 3.634 1.00 0.00 C ATOM 1220 CD2 TRP A 116 -12.166 3.622 2.396 1.00 0.00 C ATOM 1221 NE1 TRP A 116 -12.637 2.183 3.902 1.00 0.00 N ATOM 1222 CE2 TRP A 116 -11.639 2.656 3.214 1.00 0.00 C ATOM 1223 CE3 TRP A 116 -11.230 4.318 1.614 1.00 0.00 C ATOM 1224 CZ2 TRP A 116 -10.347 2.289 3.282 1.00 0.00 C ATOM 1225 CZ3 TRP A 116 -9.912 3.961 1.692 1.00 0.00 C ATOM 1226 CH2 TRP A 116 -9.450 2.955 2.507 1.00 0.00 C ATOM 0 H TRP A 116 -14.800 1.812 1.724 1.00 0.00 H new ATOM 0 HA TRP A 116 -16.573 4.095 2.389 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -14.140 4.574 0.914 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.733 5.286 2.401 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -14.760 2.467 4.073 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -12.514 1.455 4.606 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -11.545 5.120 0.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -10.031 1.488 3.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -9.199 4.496 1.083 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -8.401 2.700 2.531 1.00 0.00 H new ATOM 1237 N ASP A 117 -16.467 5.111 -0.075 1.00 0.00 N ATOM 1238 CA ASP A 117 -16.872 5.452 -1.449 1.00 0.00 C ATOM 1239 C ASP A 117 -15.918 5.953 -2.492 1.00 0.00 C ATOM 1240 O ASP A 117 -14.749 6.247 -2.335 1.00 0.00 O ATOM 1241 CB ASP A 117 -17.980 6.444 -1.343 1.00 0.00 C ATOM 1242 CG ASP A 117 -17.721 7.630 -0.411 1.00 0.00 C ATOM 1243 OD1 ASP A 117 -17.711 7.401 0.787 1.00 0.00 O ATOM 1244 OD2 ASP A 117 -17.547 8.707 -0.957 1.00 0.00 O ATOM 0 H ASP A 117 -16.377 5.904 0.560 1.00 0.00 H new ATOM 0 HA ASP A 117 -17.089 4.461 -1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -18.195 6.829 -2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -18.876 5.926 -1.001 1.00 0.00 H new ATOM 1249 N LEU A 118 -16.639 5.990 -3.565 1.00 0.00 N ATOM 1250 CA LEU A 118 -16.189 6.408 -4.916 1.00 0.00 C ATOM 1251 C LEU A 118 -15.335 7.616 -5.040 1.00 0.00 C ATOM 1252 O LEU A 118 -14.430 7.787 -5.830 1.00 0.00 O ATOM 1253 CB LEU A 118 -17.372 6.598 -5.742 1.00 0.00 C ATOM 1254 CG LEU A 118 -18.289 5.377 -5.812 1.00 0.00 C ATOM 1255 CD1 LEU A 118 -17.557 4.043 -5.592 1.00 0.00 C ATOM 1256 CD2 LEU A 118 -19.467 5.578 -4.858 1.00 0.00 C ATOM 0 H LEU A 118 -17.622 5.719 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 118 -15.529 5.600 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -17.940 7.444 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -17.058 6.861 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 118 -18.672 5.299 -6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -18.271 3.222 -5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -16.791 3.918 -6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -17.090 4.042 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -20.125 4.710 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -19.095 5.698 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -20.023 6.470 -5.149 1.00 0.00 H new ATOM 1268 N GLY A 119 -15.773 8.389 -4.144 1.00 0.00 N ATOM 1269 CA GLY A 119 -15.199 9.737 -3.921 1.00 0.00 C ATOM 1270 C GLY A 119 -14.184 9.656 -2.794 1.00 0.00 C ATOM 1271 O GLY A 119 -13.020 9.929 -3.002 1.00 0.00 O ATOM 0 H GLY A 119 -16.541 8.151 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -14.723 10.100 -4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -15.987 10.446 -3.669 1.00 0.00 H new ATOM 1275 N ASP A 120 -14.692 9.286 -1.652 1.00 0.00 N ATOM 1276 CA ASP A 120 -13.915 9.124 -0.402 1.00 0.00 C ATOM 1277 C ASP A 120 -12.447 8.741 -0.607 1.00 0.00 C ATOM 1278 O ASP A 120 -12.115 7.987 -1.501 1.00 0.00 O ATOM 1279 CB ASP A 120 -14.731 8.107 0.379 1.00 0.00 C ATOM 1280 CG ASP A 120 -14.067 7.414 1.519 1.00 0.00 C ATOM 1281 OD1 ASP A 120 -13.080 6.751 1.260 1.00 0.00 O ATOM 1282 OD2 ASP A 120 -14.612 7.602 2.597 1.00 0.00 O ATOM 0 H ASP A 120 -15.684 9.077 -1.536 1.00 0.00 H new ATOM 0 HA ASP A 120 -13.796 10.064 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -15.617 8.612 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -15.077 7.346 -0.321 1.00 0.00 H new ATOM 1287 N ILE A 121 -11.615 9.273 0.252 1.00 0.00 N ATOM 1288 CA ILE A 121 -10.129 8.961 0.118 1.00 0.00 C ATOM 1289 C ILE A 121 -9.278 8.372 1.306 1.00 0.00 C ATOM 1290 O ILE A 121 -9.675 8.209 2.440 1.00 0.00 O ATOM 1291 CB ILE A 121 -9.524 10.306 -0.407 1.00 0.00 C ATOM 1292 CG1 ILE A 121 -9.963 10.486 -1.878 1.00 0.00 C ATOM 1293 CG2 ILE A 121 -7.993 10.419 -0.264 1.00 0.00 C ATOM 1294 CD1 ILE A 121 -9.457 11.809 -2.462 1.00 0.00 C ATOM 0 H ILE A 121 -11.872 9.891 1.021 1.00 0.00 H new ATOM 0 HA ILE A 121 -10.068 8.084 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 121 -9.911 11.109 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.585 9.656 -2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -11.051 10.453 -1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.661 11.382 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -7.719 10.338 0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -7.515 9.617 -0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.786 11.899 -3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.857 12.640 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -8.368 11.831 -2.424 1.00 0.00 H new ATOM 1306 N LEU A 122 -8.067 8.000 1.032 1.00 0.00 N ATOM 1307 CA LEU A 122 -7.251 7.466 2.165 1.00 0.00 C ATOM 1308 C LEU A 122 -5.828 7.994 2.194 1.00 0.00 C ATOM 1309 O LEU A 122 -5.433 8.800 1.377 1.00 0.00 O ATOM 1310 CB LEU A 122 -7.148 5.992 2.059 1.00 0.00 C ATOM 1311 CG LEU A 122 -6.550 5.809 0.666 1.00 0.00 C ATOM 1312 CD1 LEU A 122 -5.560 4.695 0.714 1.00 0.00 C ATOM 1313 CD2 LEU A 122 -7.581 5.488 -0.349 1.00 0.00 C ATOM 0 H LEU A 122 -7.615 8.035 0.118 1.00 0.00 H new ATOM 0 HA LEU A 122 -7.766 7.790 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.508 5.572 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.120 5.508 2.151 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.079 6.748 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.124 4.553 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.772 4.939 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.059 3.778 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -7.107 5.367 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -8.087 4.562 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -8.309 6.298 -0.397 1.00 0.00 H new ATOM 1325 N GLY A 123 -5.175 7.461 3.193 1.00 0.00 N ATOM 1326 CA GLY A 123 -3.739 7.697 3.550 1.00 0.00 C ATOM 1327 C GLY A 123 -3.468 6.204 3.763 1.00 0.00 C ATOM 1328 O GLY A 123 -4.300 5.605 4.411 1.00 0.00 O ATOM 0 H GLY A 123 -5.627 6.810 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.149 8.149 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -3.594 8.309 4.440 1.00 0.00 H new ATOM 1332 N ALA A 124 -2.432 5.541 3.306 1.00 0.00 N ATOM 1333 CA ALA A 124 -2.466 4.086 3.671 1.00 0.00 C ATOM 1334 C ALA A 124 -1.122 3.595 3.734 1.00 0.00 C ATOM 1335 O ALA A 124 -0.250 4.328 3.379 1.00 0.00 O ATOM 1336 CB ALA A 124 -3.107 3.399 2.653 1.00 0.00 C ATOM 0 H ALA A 124 -1.646 5.889 2.757 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.975 3.952 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.143 2.337 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.122 3.780 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.561 3.538 1.720 1.00 0.00 H new ATOM 1342 N LYS A 125 -0.969 2.389 4.162 1.00 0.00 N ATOM 1343 CA LYS A 125 0.407 1.915 4.210 1.00 0.00 C ATOM 1344 C LYS A 125 0.553 0.454 4.044 1.00 0.00 C ATOM 1345 O LYS A 125 -0.330 -0.331 4.325 1.00 0.00 O ATOM 1346 CB LYS A 125 0.999 2.370 5.532 1.00 0.00 C ATOM 1347 CG LYS A 125 2.026 1.391 6.105 1.00 0.00 C ATOM 1348 CD LYS A 125 1.389 0.150 6.764 1.00 0.00 C ATOM 1349 CE LYS A 125 1.553 0.248 8.285 1.00 0.00 C ATOM 1350 NZ LYS A 125 0.856 1.455 8.811 1.00 0.00 N ATOM 0 H LYS A 125 -1.699 1.744 4.465 1.00 0.00 H new ATOM 0 HA LYS A 125 0.941 2.341 3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 125 1.472 3.342 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.194 2.506 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.693 1.067 5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.640 1.910 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.333 0.087 6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.864 -0.758 6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.149 -0.647 8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.612 0.293 8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 0.414 1.230 9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.544 2.225 8.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.123 1.754 8.136 1.00 0.00 H new ATOM 1364 N GLY A 126 1.718 0.162 3.567 1.00 0.00 N ATOM 1365 CA GLY A 126 2.029 -1.273 3.358 1.00 0.00 C ATOM 1366 C GLY A 126 3.524 -1.363 3.260 1.00 0.00 C ATOM 1367 O GLY A 126 4.150 -0.360 2.992 1.00 0.00 O ATOM 0 H GLY A 126 2.451 0.827 3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.655 -1.877 4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.555 -1.647 2.450 1.00 0.00 H new ATOM 1371 N LYS A 127 4.120 -2.503 3.443 1.00 0.00 N ATOM 1372 CA LYS A 127 5.584 -2.426 3.309 1.00 0.00 C ATOM 1373 C LYS A 127 5.816 -2.546 1.885 1.00 0.00 C ATOM 1374 O LYS A 127 4.929 -2.933 1.155 1.00 0.00 O ATOM 1375 CB LYS A 127 6.306 -3.549 3.894 1.00 0.00 C ATOM 1376 CG LYS A 127 7.068 -2.889 4.943 1.00 0.00 C ATOM 1377 CD LYS A 127 7.828 -3.909 5.797 1.00 0.00 C ATOM 1378 CE LYS A 127 6.843 -4.639 6.713 1.00 0.00 C ATOM 1379 NZ LYS A 127 7.589 -5.581 7.594 1.00 0.00 N ATOM 0 H LYS A 127 3.700 -3.407 3.660 1.00 0.00 H new ATOM 0 HA LYS A 127 5.925 -1.516 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.632 -4.307 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.951 -4.045 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.772 -2.186 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 127 6.396 -2.309 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.344 -4.624 5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.590 -3.406 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 127 6.290 -3.920 7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 127 6.111 -5.184 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.920 -6.077 8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.097 -6.275 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 8.271 -5.049 8.172 1.00 0.00 H new ATOM 1393 N LEU A 128 7.001 -2.228 1.483 1.00 0.00 N ATOM 1394 CA LEU A 128 7.112 -2.380 0.044 1.00 0.00 C ATOM 1395 C LEU A 128 7.510 -3.827 -0.175 1.00 0.00 C ATOM 1396 O LEU A 128 7.887 -4.482 0.776 1.00 0.00 O ATOM 1397 CB LEU A 128 8.078 -1.288 -0.206 1.00 0.00 C ATOM 1398 CG LEU A 128 9.503 -1.620 -0.346 1.00 0.00 C ATOM 1399 CD1 LEU A 128 10.286 -0.387 0.012 1.00 0.00 C ATOM 1400 CD2 LEU A 128 10.047 -3.051 -0.291 1.00 0.00 C ATOM 0 H LEU A 128 7.806 -1.907 2.020 1.00 0.00 H new ATOM 0 HA LEU A 128 6.269 -2.268 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.768 -0.775 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.985 -0.572 0.610 1.00 0.00 H new ATOM 0 HG LEU A 128 9.760 -1.927 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 128 11.352 -0.594 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 128 10.014 0.425 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 128 10.060 -0.097 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 128 11.129 -3.034 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.803 -3.496 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.596 -3.643 -1.088 1.00 0.00 H new ATOM 1412 N PHE A 129 7.421 -4.348 -1.369 1.00 0.00 N ATOM 1413 CA PHE A 129 7.860 -5.768 -1.464 1.00 0.00 C ATOM 1414 C PHE A 129 8.145 -6.148 -2.891 1.00 0.00 C ATOM 1415 O PHE A 129 7.939 -5.359 -3.796 1.00 0.00 O ATOM 1416 CB PHE A 129 6.813 -6.734 -0.919 1.00 0.00 C ATOM 1417 CG PHE A 129 5.593 -6.743 -1.796 1.00 0.00 C ATOM 1418 CD1 PHE A 129 4.804 -5.627 -1.846 1.00 0.00 C ATOM 1419 CD2 PHE A 129 5.260 -7.868 -2.523 1.00 0.00 C ATOM 1420 CE1 PHE A 129 3.672 -5.639 -2.621 1.00 0.00 C ATOM 1421 CE2 PHE A 129 4.128 -7.877 -3.302 1.00 0.00 C ATOM 1422 CZ PHE A 129 3.331 -6.758 -3.352 1.00 0.00 C ATOM 0 H PHE A 129 7.091 -3.896 -2.221 1.00 0.00 H new ATOM 0 HA PHE A 129 8.765 -5.845 -0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 129 7.233 -7.738 -0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 129 6.536 -6.445 0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.069 -4.745 -1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 129 5.891 -8.744 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 129 3.041 -4.763 -2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.866 -8.757 -3.871 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.440 -6.755 -3.962 1.00 0.00 H new ATOM 1511 N GLU A 135 11.383 -3.774 -3.793 1.00 0.00 N ATOM 1512 CA GLU A 135 11.351 -2.334 -3.403 1.00 0.00 C ATOM 1513 C GLU A 135 10.046 -1.629 -3.784 1.00 0.00 C ATOM 1514 O GLU A 135 9.523 -0.663 -3.266 1.00 0.00 O ATOM 1515 CB GLU A 135 12.503 -1.777 -4.105 1.00 0.00 C ATOM 1516 CG GLU A 135 12.851 -0.389 -3.596 1.00 0.00 C ATOM 1517 CD GLU A 135 14.141 0.129 -4.255 1.00 0.00 C ATOM 1518 OE1 GLU A 135 15.115 -0.606 -4.223 1.00 0.00 O ATOM 1519 OE2 GLU A 135 14.077 1.242 -4.753 1.00 0.00 O ATOM 0 HA GLU A 135 11.396 -2.200 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 135 13.361 -2.437 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.291 -1.731 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 135 12.030 0.296 -3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.976 -0.415 -2.513 1.00 0.00 H new ATOM 1526 N LEU A 136 9.673 -2.295 -4.790 1.00 0.00 N ATOM 1527 CA LEU A 136 8.561 -2.211 -5.665 1.00 0.00 C ATOM 1528 C LEU A 136 7.176 -1.702 -5.418 1.00 0.00 C ATOM 1529 O LEU A 136 6.839 -0.553 -5.621 1.00 0.00 O ATOM 1530 CB LEU A 136 8.670 -3.643 -6.216 1.00 0.00 C ATOM 1531 CG LEU A 136 8.196 -3.838 -7.560 1.00 0.00 C ATOM 1532 CD1 LEU A 136 7.062 -3.005 -7.847 1.00 0.00 C ATOM 1533 CD2 LEU A 136 9.283 -3.643 -8.606 1.00 0.00 C ATOM 0 H LEU A 136 10.260 -3.076 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 136 8.659 -1.302 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 136 9.715 -3.950 -6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.114 -4.309 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 136 7.882 -4.880 -7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.732 -3.180 -8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.251 -3.244 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.341 -1.958 -7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.865 -3.803 -9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.676 -2.629 -8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 136 10.088 -4.357 -8.432 1.00 0.00 H new ATOM 1545 N SER A 137 6.447 -2.645 -4.975 1.00 0.00 N ATOM 1546 CA SER A 137 5.006 -2.362 -4.701 1.00 0.00 C ATOM 1547 C SER A 137 4.586 -2.348 -3.271 1.00 0.00 C ATOM 1548 O SER A 137 5.379 -2.685 -2.422 1.00 0.00 O ATOM 1549 CB SER A 137 4.179 -3.389 -5.518 1.00 0.00 C ATOM 1550 OG SER A 137 2.874 -3.445 -4.962 1.00 0.00 O ATOM 0 H SER A 137 6.759 -3.597 -4.785 1.00 0.00 H new ATOM 0 HA SER A 137 4.823 -1.332 -5.006 1.00 0.00 H new ATOM 0 HB2 SER A 137 4.134 -3.094 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 137 4.650 -4.371 -5.483 1.00 0.00 H new ATOM 0 HG SER A 137 2.786 -4.252 -4.413 1.00 0.00 H new ATOM 1556 N ILE A 138 3.360 -1.965 -3.028 1.00 0.00 N ATOM 1557 CA ILE A 138 2.944 -1.944 -1.614 1.00 0.00 C ATOM 1558 C ILE A 138 2.155 -3.139 -1.199 1.00 0.00 C ATOM 1559 O ILE A 138 1.321 -3.670 -1.894 1.00 0.00 O ATOM 1560 CB ILE A 138 2.164 -0.681 -1.401 1.00 0.00 C ATOM 1561 CG1 ILE A 138 3.234 0.378 -1.292 1.00 0.00 C ATOM 1562 CG2 ILE A 138 1.428 -0.790 -0.072 1.00 0.00 C ATOM 1563 CD1 ILE A 138 2.604 1.763 -1.385 1.00 0.00 C ATOM 0 H ILE A 138 2.664 -1.680 -3.717 1.00 0.00 H new ATOM 0 HA ILE A 138 3.836 -1.975 -0.988 1.00 0.00 H new ATOM 0 HB ILE A 138 1.436 -0.474 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.766 0.274 -0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 138 3.968 0.249 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.854 0.120 0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.753 -1.645 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 138 2.150 -0.923 0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 138 3.382 2.523 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 138 2.092 1.866 -2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.887 1.892 -0.574 1.00 0.00 H new ATOM 1575 N HIS A 139 2.483 -3.511 -0.009 1.00 0.00 N ATOM 1576 CA HIS A 139 1.837 -4.683 0.615 1.00 0.00 C ATOM 1577 C HIS A 139 1.153 -4.141 1.845 1.00 0.00 C ATOM 1578 O HIS A 139 1.638 -4.183 2.962 1.00 0.00 O ATOM 1579 CB HIS A 139 2.921 -5.708 0.915 1.00 0.00 C ATOM 1580 CG HIS A 139 2.278 -6.965 1.523 1.00 0.00 C ATOM 1581 ND1 HIS A 139 2.828 -8.137 1.529 1.00 0.00 N ATOM 1582 CD2 HIS A 139 1.061 -7.166 2.161 1.00 0.00 C ATOM 1583 CE1 HIS A 139 2.043 -8.990 2.107 1.00 0.00 C ATOM 1584 NE2 HIS A 139 0.932 -8.428 2.516 1.00 0.00 N ATOM 0 H HIS A 139 3.183 -3.047 0.570 1.00 0.00 H new ATOM 0 HA HIS A 139 1.101 -5.190 -0.009 1.00 0.00 H new ATOM 0 HB2 HIS A 139 3.457 -5.965 0.001 1.00 0.00 H new ATOM 0 HB3 HIS A 139 3.652 -5.289 1.606 1.00 0.00 H new ATOM 0 HD1 HIS A 139 3.744 -8.356 1.137 1.00 0.00 H new ATOM 0 HD2 HIS A 139 0.325 -6.397 2.341 1.00 0.00 H new ATOM 0 HE1 HIS A 139 2.276 -10.037 2.236 1.00 0.00 H new ATOM 1592 N CYS A 140 0.016 -3.621 1.465 1.00 0.00 N ATOM 1593 CA CYS A 140 -0.972 -2.980 2.364 1.00 0.00 C ATOM 1594 C CYS A 140 -1.454 -3.793 3.556 1.00 0.00 C ATOM 1595 O CYS A 140 -1.846 -4.948 3.472 1.00 0.00 O ATOM 1596 CB CYS A 140 -2.185 -2.582 1.553 1.00 0.00 C ATOM 1597 SG CYS A 140 -3.604 -2.023 2.521 1.00 0.00 S ATOM 0 H CYS A 140 -0.281 -3.620 0.489 1.00 0.00 H new ATOM 0 HA CYS A 140 -0.431 -2.137 2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 140 -1.898 -1.787 0.865 1.00 0.00 H new ATOM 0 HB3 CYS A 140 -2.492 -3.433 0.945 1.00 0.00 H new ATOM 0 HG CYS A 140 -4.361 -3.040 2.808 1.00 0.00 H new ATOM 1603 N THR A 141 -1.389 -3.065 4.634 1.00 0.00 N ATOM 1604 CA THR A 141 -1.789 -3.560 5.965 1.00 0.00 C ATOM 1605 C THR A 141 -2.652 -2.548 6.729 1.00 0.00 C ATOM 1606 O THR A 141 -3.546 -2.948 7.449 1.00 0.00 O ATOM 1607 CB THR A 141 -0.552 -3.864 6.760 1.00 0.00 C ATOM 1608 OG1 THR A 141 0.280 -2.727 6.584 1.00 0.00 O ATOM 1609 CG2 THR A 141 0.153 -5.040 6.106 1.00 0.00 C ATOM 0 H THR A 141 -1.057 -2.100 4.638 1.00 0.00 H new ATOM 0 HA THR A 141 -2.391 -4.457 5.823 1.00 0.00 H new ATOM 0 HB THR A 141 -0.770 -4.085 7.805 1.00 0.00 H new ATOM 0 HG1 THR A 141 1.115 -2.853 7.081 1.00 0.00 H new ATOM 0 HG21 THR A 141 1.056 -5.280 6.667 1.00 0.00 H new ATOM 0 HG22 THR A 141 -0.511 -5.905 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 141 0.420 -4.780 5.082 1.00 0.00 H new ATOM 1617 N GLU A 142 -2.380 -1.270 6.568 1.00 0.00 N ATOM 1618 CA GLU A 142 -3.185 -0.259 7.303 1.00 0.00 C ATOM 1619 C GLU A 142 -3.680 0.874 6.410 1.00 0.00 C ATOM 1620 O GLU A 142 -2.904 1.739 6.060 1.00 0.00 O ATOM 1621 CB GLU A 142 -2.299 0.281 8.411 1.00 0.00 C ATOM 1622 CG GLU A 142 -3.042 1.329 9.239 1.00 0.00 C ATOM 1623 CD GLU A 142 -2.051 1.875 10.267 1.00 0.00 C ATOM 1624 OE1 GLU A 142 -1.613 1.074 11.078 1.00 0.00 O ATOM 1625 OE2 GLU A 142 -1.789 3.062 10.178 1.00 0.00 O ATOM 0 H GLU A 142 -1.645 -0.896 5.967 1.00 0.00 H new ATOM 0 HA GLU A 142 -4.086 -0.730 7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -1.977 -0.537 9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -1.399 0.722 7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -3.416 2.130 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -3.906 0.887 9.734 1.00 0.00 H new ATOM 1632 N LEU A 143 -4.936 0.871 6.058 1.00 0.00 N ATOM 1633 CA LEU A 143 -5.412 1.987 5.191 1.00 0.00 C ATOM 1634 C LEU A 143 -5.973 3.003 6.175 1.00 0.00 C ATOM 1635 O LEU A 143 -6.166 2.682 7.330 1.00 0.00 O ATOM 1636 CB LEU A 143 -6.573 1.605 4.269 1.00 0.00 C ATOM 1637 CG LEU A 143 -6.326 0.451 3.278 1.00 0.00 C ATOM 1638 CD1 LEU A 143 -5.069 0.716 2.474 1.00 0.00 C ATOM 1639 CD2 LEU A 143 -6.226 -0.903 3.988 1.00 0.00 C ATOM 0 H LEU A 143 -5.632 0.173 6.320 1.00 0.00 H new ATOM 0 HA LEU A 143 -4.592 2.322 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -7.428 1.340 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.857 2.488 3.697 1.00 0.00 H new ATOM 0 HG LEU A 143 -7.183 0.404 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -4.903 -0.105 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.182 1.647 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -4.216 0.797 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -6.052 -1.688 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -5.399 -0.881 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -7.156 -1.104 4.520 1.00 0.00 H new ATOM 1651 N ARG A 144 -6.224 4.196 5.713 1.00 0.00 N ATOM 1652 CA ARG A 144 -6.772 5.215 6.650 1.00 0.00 C ATOM 1653 C ARG A 144 -7.869 6.025 5.958 1.00 0.00 C ATOM 1654 O ARG A 144 -7.604 6.704 4.989 1.00 0.00 O ATOM 1655 CB ARG A 144 -5.590 6.098 7.096 1.00 0.00 C ATOM 1656 CG ARG A 144 -5.880 6.778 8.449 1.00 0.00 C ATOM 1657 CD ARG A 144 -6.814 7.975 8.292 1.00 0.00 C ATOM 1658 NE ARG A 144 -6.141 8.969 7.413 1.00 0.00 N ATOM 1659 CZ ARG A 144 -6.746 9.366 6.330 1.00 0.00 C ATOM 1660 NH1 ARG A 144 -7.936 9.880 6.440 1.00 0.00 N ATOM 1661 NH2 ARG A 144 -6.147 9.238 5.179 1.00 0.00 N ATOM 0 H ARG A 144 -6.078 4.505 4.752 1.00 0.00 H new ATOM 0 HA ARG A 144 -7.232 4.754 7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -4.689 5.490 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -5.394 6.858 6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -6.327 6.055 9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -4.943 7.105 8.900 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -7.764 7.663 7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -7.037 8.415 9.264 1.00 0.00 H new ATOM 0 HE ARG A 144 -5.220 9.334 7.655 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -8.372 9.964 7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -8.433 10.199 5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -5.213 8.830 5.133 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -6.612 9.546 4.325 1.00 0.00 H new ATOM 1675 N LEU A 145 -9.057 5.916 6.495 1.00 0.00 N ATOM 1676 CA LEU A 145 -10.286 6.579 6.045 1.00 0.00 C ATOM 1677 C LEU A 145 -10.396 8.081 6.314 1.00 0.00 C ATOM 1678 O LEU A 145 -10.211 8.484 7.443 1.00 0.00 O ATOM 1679 CB LEU A 145 -11.376 5.876 6.773 1.00 0.00 C ATOM 1680 CG LEU A 145 -12.032 4.809 6.168 1.00 0.00 C ATOM 1681 CD1 LEU A 145 -12.493 5.383 4.910 1.00 0.00 C ATOM 1682 CD2 LEU A 145 -11.083 3.629 6.046 1.00 0.00 C ATOM 0 H LEU A 145 -9.218 5.327 7.312 1.00 0.00 H new ATOM 0 HA LEU A 145 -10.323 6.515 4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.959 5.512 7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -12.131 6.620 7.027 1.00 0.00 H new ATOM 0 HG LEU A 145 -12.876 4.393 6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -13.031 4.626 4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -13.157 6.223 5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -11.636 5.731 4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -11.599 2.794 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -10.223 3.915 5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -10.745 3.330 7.038 1.00 0.00 H new ATOM 1694 N LEU A 146 -10.691 8.899 5.324 1.00 0.00 N ATOM 1695 CA LEU A 146 -10.816 10.289 5.555 1.00 0.00 C ATOM 1696 C LEU A 146 -12.329 10.385 5.748 1.00 0.00 C ATOM 1697 O LEU A 146 -12.972 9.810 6.604 1.00 0.00 O ATOM 1698 CB LEU A 146 -10.255 10.845 4.278 1.00 0.00 C ATOM 1699 CG LEU A 146 -11.043 10.364 2.951 1.00 0.00 C ATOM 1700 CD1 LEU A 146 -12.088 9.023 2.934 1.00 0.00 C ATOM 1701 CD2 LEU A 146 -11.515 11.565 2.274 1.00 0.00 C ATOM 0 H LEU A 146 -10.845 8.607 4.359 1.00 0.00 H new ATOM 0 HA LEU A 146 -10.324 10.801 6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -10.277 11.934 4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -9.209 10.551 4.194 1.00 0.00 H new ATOM 0 HG LEU A 146 -10.297 9.813 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -12.500 8.895 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -11.535 8.127 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -12.900 9.186 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -12.054 11.285 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -12.181 12.118 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -10.663 12.192 2.009 1.00 0.00 H new ATOM 1713 N THR A 147 -12.749 11.176 4.838 1.00 0.00 N ATOM 1714 CA THR A 147 -14.156 11.598 4.596 1.00 0.00 C ATOM 1715 C THR A 147 -14.715 11.158 3.227 1.00 0.00 C ATOM 1716 O THR A 147 -14.050 10.641 2.336 1.00 0.00 O ATOM 1717 CB THR A 147 -14.267 13.129 4.733 1.00 0.00 C ATOM 1718 OG1 THR A 147 -15.640 13.347 5.019 1.00 0.00 O ATOM 1719 CG2 THR A 147 -14.105 13.919 3.431 1.00 0.00 C ATOM 0 H THR A 147 -12.106 11.601 4.170 1.00 0.00 H new ATOM 0 HA THR A 147 -14.761 11.095 5.350 1.00 0.00 H new ATOM 0 HB THR A 147 -13.504 13.442 5.446 1.00 0.00 H new ATOM 0 HG1 THR A 147 -15.804 14.307 5.125 1.00 0.00 H new ATOM 0 HG21 THR A 147 -14.200 14.985 3.638 1.00 0.00 H new ATOM 0 HG22 THR A 147 -13.122 13.719 3.004 1.00 0.00 H new ATOM 0 HG23 THR A 147 -14.877 13.616 2.723 1.00 0.00 H new ATOM 1727 N LYS A 148 -15.979 11.446 3.139 1.00 0.00 N ATOM 1728 CA LYS A 148 -16.772 11.136 1.932 1.00 0.00 C ATOM 1729 C LYS A 148 -16.781 12.355 1.017 1.00 0.00 C ATOM 1730 O LYS A 148 -17.794 12.995 0.825 1.00 0.00 O ATOM 1731 CB LYS A 148 -18.161 10.777 2.392 1.00 0.00 C ATOM 1732 CG LYS A 148 -18.060 9.525 3.262 1.00 0.00 C ATOM 1733 CD LYS A 148 -19.465 8.961 3.468 1.00 0.00 C ATOM 1734 CE LYS A 148 -19.364 7.708 4.339 1.00 0.00 C ATOM 1735 NZ LYS A 148 -20.718 7.111 4.522 1.00 0.00 N ATOM 0 H LYS A 148 -16.510 11.899 3.883 1.00 0.00 H new ATOM 0 HA LYS A 148 -16.350 10.304 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -18.600 11.599 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -18.811 10.595 1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -17.421 8.783 2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -17.605 9.767 4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -20.105 9.703 3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -19.920 8.719 2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -18.696 6.983 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -18.934 7.961 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -20.645 6.260 5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -21.343 7.802 4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -21.112 6.854 3.595 1.00 0.00 H new ATOM 1749 N ALA A 149 -15.628 12.635 0.471 1.00 0.00 N ATOM 1750 CA ALA A 149 -15.480 13.791 -0.441 1.00 0.00 C ATOM 1751 C ALA A 149 -15.613 13.267 -1.865 1.00 0.00 C ATOM 1752 O ALA A 149 -15.822 12.070 -1.940 1.00 0.00 O ATOM 1753 CB ALA A 149 -14.120 14.366 -0.193 1.00 0.00 C ATOM 1754 OXT ALA A 149 -15.504 14.073 -2.774 1.00 0.00 O ATOM 0 H ALA A 149 -14.773 12.100 0.625 1.00 0.00 H new ATOM 0 HA ALA A 149 -16.232 14.564 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -13.964 15.225 -0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -14.043 14.682 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -13.362 13.610 -0.400 1.00 0.00 H new