USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 631 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 62 ASN : amide:sc= -0.698 K(o=-1.5,f=-5.8!) USER MOD Set 1.2: A 64 ASN : amide:sc= -0.846 K(o=-1.5,f=-2.2) USER MOD Set 2.1: A 35 HIS : no HE2:sc= -3.49! C(o=-3.5!,f=-7.2!) USER MOD Set 2.2: A 36 ASN :FLIP amide:sc= -0.0305 F(o=-4.5,f=-3.5) USER MOD Set 3.1: A 16 TYR OH : rot 180:sc= -0.267 USER MOD Set 3.2: A 65 ASN :FLIP amide:sc= -8.64! C(o=-9.9!,f=-8.9!) USER MOD Set 4.1: A 8 SER OG : rot 141:sc= 0.658 USER MOD Set 4.2: A 9 LYS NZ :NH3+ -127:sc= 1.19 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.0095) USER MOD Single : A 10 MET CE :methyl -130:sc= -5.03! (180deg=-6.63!) USER MOD Single : A 11 LYS NZ :NH3+ -122:sc= -0.0122 (180deg=-0.0612) USER MOD Single : A 15 THR OG1 : rot 158:sc= -1.28! USER MOD Single : A 18 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.15! C(o=-2.2!,f=-6.2!) USER MOD Single : A 37 GLN : amide:sc= -1.03 X(o=-1,f=-0.59) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.215 F(o=-3.5!,f=-0.22) USER MOD Single : A 40 SER OG : rot -42:sc= 0.674 USER MOD Single : A 41 SER OG : rot 180:sc= -0.35 USER MOD Single : A 45 GLN : amide:sc= 0.983 K(o=0.98,f=-2.5!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.21 F(o=-1,f=-0.21) USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= 0.319 (180deg=-1.72) USER MOD Single : A 59 HIS : no HE2:sc= 0.383 K(o=0.38,f=-4.3!) USER MOD Single : A 60 ASN : amide:sc= 0.159 K(o=0.16,f=-0.36) USER MOD Single : A 68 SER OG : rot -23:sc= 0.166 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= 0.0358! (180deg=-0.684!) USER MOD Single : A 74 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.97) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.359 F(o=-2.7,f=-0.36) USER MOD Single : A 79 TYR OH : rot -30:sc= -3.66! USER MOD Single : A 80 THR OG1 : rot -7:sc= -0.601! USER MOD Single : A 82 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 88 SER OG : rot -5:sc= 0.696 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N CYS A 3 -7.197 4.596 6.678 1.00 0.00 N ATOM 37 CA CYS A 3 -5.696 4.554 6.422 1.00 0.00 C ATOM 38 C CYS A 3 -4.848 4.120 7.655 1.00 0.00 C ATOM 39 O CYS A 3 -5.404 3.534 8.566 1.00 0.00 O ATOM 40 CB CYS A 3 -5.340 5.972 5.899 1.00 0.00 C ATOM 41 SG CYS A 3 -3.840 6.259 4.926 1.00 0.00 S ATOM 0 HA CYS A 3 -5.449 3.781 5.695 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.182 6.310 5.295 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.287 6.629 6.768 1.00 0.00 H new ATOM 46 N GLY A 4 -3.555 4.367 7.702 1.00 0.00 N ATOM 47 CA GLY A 4 -2.756 3.924 8.924 1.00 0.00 C ATOM 48 C GLY A 4 -2.321 2.479 8.694 1.00 0.00 C ATOM 49 O GLY A 4 -1.153 2.133 8.675 1.00 0.00 O ATOM 0 H GLY A 4 -3.020 4.842 6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.887 4.567 9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.362 4.002 9.826 1.00 0.00 H new ATOM 53 N GLN A 5 -3.340 1.670 8.527 1.00 0.00 N ATOM 54 CA GLN A 5 -3.151 0.210 8.269 1.00 0.00 C ATOM 55 C GLN A 5 -2.110 0.154 7.129 1.00 0.00 C ATOM 56 O GLN A 5 -1.259 -0.717 7.094 1.00 0.00 O ATOM 57 CB GLN A 5 -4.496 -0.453 7.804 1.00 0.00 C ATOM 58 CG GLN A 5 -5.678 -0.302 8.856 1.00 0.00 C ATOM 59 CD GLN A 5 -6.961 -1.069 8.445 1.00 0.00 C ATOM 60 OE1 GLN A 5 -7.961 -1.048 9.131 1.00 0.00 O ATOM 61 NE2 GLN A 5 -7.006 -1.759 7.346 1.00 0.00 N ATOM 0 H GLN A 5 -4.315 1.969 8.560 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.831 -0.327 9.162 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.803 -0.006 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.323 -1.512 7.615 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.341 -0.665 9.827 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.917 0.755 8.976 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.188 -1.804 6.739 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.859 -2.256 7.090 1.00 0.00 H new ATOM 70 N VAL A 6 -2.226 1.120 6.236 1.00 0.00 N ATOM 71 CA VAL A 6 -1.298 1.205 5.080 1.00 0.00 C ATOM 72 C VAL A 6 0.139 1.131 5.612 1.00 0.00 C ATOM 73 O VAL A 6 0.756 0.089 5.595 1.00 0.00 O ATOM 74 CB VAL A 6 -1.502 2.565 4.284 1.00 0.00 C ATOM 75 CG1 VAL A 6 -0.562 2.500 3.069 1.00 0.00 C ATOM 76 CG2 VAL A 6 -2.944 2.701 3.755 1.00 0.00 C ATOM 0 H VAL A 6 -2.934 1.853 6.270 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.499 0.381 4.395 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.298 3.409 4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.661 3.414 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.468 2.398 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.826 1.642 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.047 3.643 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.164 1.872 3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.642 2.684 4.592 1.00 0.00 H new ATOM 86 N ASP A 7 0.600 2.251 6.086 1.00 0.00 N ATOM 87 CA ASP A 7 1.962 2.446 6.653 1.00 0.00 C ATOM 88 C ASP A 7 2.366 1.242 7.481 1.00 0.00 C ATOM 89 O ASP A 7 3.402 0.626 7.336 1.00 0.00 O ATOM 90 CB ASP A 7 1.883 3.738 7.486 1.00 0.00 C ATOM 91 CG ASP A 7 3.246 4.441 7.570 1.00 0.00 C ATOM 92 OD1 ASP A 7 3.815 4.607 6.499 1.00 0.00 O ATOM 93 OD2 ASP A 7 3.640 4.781 8.673 1.00 0.00 O ATOM 0 H ASP A 7 0.041 3.104 6.103 1.00 0.00 H new ATOM 0 HA ASP A 7 2.726 2.540 5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.151 4.413 7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.532 3.503 8.491 1.00 0.00 H new ATOM 98 N SER A 8 1.457 0.948 8.344 1.00 0.00 N ATOM 99 CA SER A 8 1.658 -0.199 9.262 1.00 0.00 C ATOM 100 C SER A 8 2.121 -1.479 8.535 1.00 0.00 C ATOM 101 O SER A 8 3.011 -2.140 9.035 1.00 0.00 O ATOM 102 CB SER A 8 0.358 -0.417 9.991 1.00 0.00 C ATOM 103 OG SER A 8 0.693 -1.460 10.907 1.00 0.00 O ATOM 0 H SER A 8 0.577 1.450 8.460 1.00 0.00 H new ATOM 0 HA SER A 8 2.463 0.032 9.960 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.024 0.484 10.505 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.443 -0.713 9.314 1.00 0.00 H new ATOM 0 HG SER A 8 0.255 -1.293 11.768 1.00 0.00 H new ATOM 109 N LYS A 9 1.521 -1.820 7.412 1.00 0.00 N ATOM 110 CA LYS A 9 1.964 -3.064 6.673 1.00 0.00 C ATOM 111 C LYS A 9 2.563 -2.715 5.274 1.00 0.00 C ATOM 112 O LYS A 9 2.777 -3.592 4.459 1.00 0.00 O ATOM 113 CB LYS A 9 0.755 -4.059 6.435 1.00 0.00 C ATOM 114 CG LYS A 9 -0.434 -4.011 7.427 1.00 0.00 C ATOM 115 CD LYS A 9 -0.004 -3.782 8.883 1.00 0.00 C ATOM 116 CE LYS A 9 -1.010 -4.396 9.841 1.00 0.00 C ATOM 117 NZ LYS A 9 -1.033 -3.550 11.073 1.00 0.00 N ATOM 0 H LYS A 9 0.756 -1.303 6.978 1.00 0.00 H new ATOM 0 HA LYS A 9 2.721 -3.534 7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.363 -3.874 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.152 -5.074 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.115 -3.215 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.989 -4.947 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.980 -4.220 9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.086 -2.713 9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.999 -4.435 9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.731 -5.421 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.878 -4.149 11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.281 -2.834 11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.956 -3.077 11.152 1.00 0.00 H new ATOM 131 N MET A 10 2.806 -1.443 5.056 1.00 0.00 N ATOM 132 CA MET A 10 3.378 -0.855 3.790 1.00 0.00 C ATOM 133 C MET A 10 4.568 0.102 3.986 1.00 0.00 C ATOM 134 O MET A 10 5.219 0.487 3.033 1.00 0.00 O ATOM 135 CB MET A 10 2.312 -0.048 3.054 1.00 0.00 C ATOM 136 CG MET A 10 1.108 -0.920 2.711 1.00 0.00 C ATOM 137 SD MET A 10 1.469 -2.522 1.956 1.00 0.00 S ATOM 138 CE MET A 10 2.506 -2.006 0.568 1.00 0.00 C ATOM 0 H MET A 10 2.615 -0.732 5.762 1.00 0.00 H new ATOM 0 HA MET A 10 3.727 -1.726 3.235 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.994 0.791 3.673 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.734 0.372 2.141 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.539 -1.093 3.625 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.462 -0.361 2.034 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.138 -2.463 -0.351 1.00 0.00 H new ATOM 0 HE2 MET A 10 2.472 -0.921 0.472 1.00 0.00 H new ATOM 0 HE3 MET A 10 3.534 -2.322 0.745 1.00 0.00 H new ATOM 148 N LYS A 11 4.845 0.490 5.196 1.00 0.00 N ATOM 149 CA LYS A 11 5.976 1.417 5.439 1.00 0.00 C ATOM 150 C LYS A 11 7.251 0.963 4.711 1.00 0.00 C ATOM 151 O LYS A 11 7.746 1.695 3.887 1.00 0.00 O ATOM 152 CB LYS A 11 6.188 1.510 6.961 1.00 0.00 C ATOM 153 CG LYS A 11 7.519 2.228 7.272 1.00 0.00 C ATOM 154 CD LYS A 11 7.447 3.778 6.993 1.00 0.00 C ATOM 155 CE LYS A 11 7.747 4.136 5.524 1.00 0.00 C ATOM 156 NZ LYS A 11 8.236 5.548 5.462 1.00 0.00 N ATOM 0 H LYS A 11 4.333 0.203 6.030 1.00 0.00 H new ATOM 0 HA LYS A 11 5.742 2.403 5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.359 2.051 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.195 0.511 7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.783 2.062 8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.314 1.790 6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.454 4.144 7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.158 4.292 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.497 3.459 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.849 4.020 4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.617 6.103 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.225 5.961 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.207 5.563 5.089 1.00 0.00 H new ATOM 170 N PRO A 12 7.781 -0.204 4.988 1.00 0.00 N ATOM 171 CA PRO A 12 8.966 -0.729 4.236 1.00 0.00 C ATOM 172 C PRO A 12 8.752 -0.807 2.693 1.00 0.00 C ATOM 173 O PRO A 12 9.701 -0.926 1.940 1.00 0.00 O ATOM 174 CB PRO A 12 9.222 -2.079 4.922 1.00 0.00 C ATOM 175 CG PRO A 12 7.807 -2.469 5.401 1.00 0.00 C ATOM 176 CD PRO A 12 7.310 -1.176 6.016 1.00 0.00 C ATOM 0 HA PRO A 12 9.833 -0.070 4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.637 -2.815 4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.923 -1.989 5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.174 -2.797 4.577 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.832 -3.282 6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.227 -1.162 6.138 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.744 -0.987 6.998 1.00 0.00 H new ATOM 184 N CYS A 13 7.531 -0.723 2.240 1.00 0.00 N ATOM 185 CA CYS A 13 7.325 -0.803 0.747 1.00 0.00 C ATOM 186 C CYS A 13 7.451 0.639 0.251 1.00 0.00 C ATOM 187 O CYS A 13 8.000 0.977 -0.779 1.00 0.00 O ATOM 188 CB CYS A 13 5.970 -1.416 0.563 1.00 0.00 C ATOM 189 SG CYS A 13 5.766 -2.978 1.448 1.00 0.00 S ATOM 0 H CYS A 13 6.690 -0.607 2.805 1.00 0.00 H new ATOM 0 HA CYS A 13 8.035 -1.410 0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.211 -0.712 0.903 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.796 -1.583 -0.500 1.00 0.00 H new ATOM 194 N LEU A 14 6.898 1.480 1.060 1.00 0.00 N ATOM 195 CA LEU A 14 6.906 2.941 0.824 1.00 0.00 C ATOM 196 C LEU A 14 8.410 3.298 0.862 1.00 0.00 C ATOM 197 O LEU A 14 8.906 3.890 -0.076 1.00 0.00 O ATOM 198 CB LEU A 14 5.963 3.478 1.964 1.00 0.00 C ATOM 199 CG LEU A 14 6.220 4.881 2.501 1.00 0.00 C ATOM 200 CD1 LEU A 14 6.372 5.856 1.334 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.957 5.262 3.386 1.00 0.00 C ATOM 0 H LEU A 14 6.418 1.203 1.916 1.00 0.00 H new ATOM 0 HA LEU A 14 6.529 3.366 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.938 3.444 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.022 2.783 2.802 1.00 0.00 H new ATOM 0 HG LEU A 14 7.135 4.926 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.556 6.859 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.211 5.548 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.458 5.857 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.089 6.263 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.059 5.240 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.854 4.545 4.201 1.00 0.00 H new ATOM 213 N THR A 15 9.114 2.931 1.909 1.00 0.00 N ATOM 214 CA THR A 15 10.590 3.223 2.025 1.00 0.00 C ATOM 215 C THR A 15 11.165 2.741 0.698 1.00 0.00 C ATOM 216 O THR A 15 11.771 3.502 -0.028 1.00 0.00 O ATOM 217 CB THR A 15 11.324 2.412 3.156 1.00 0.00 C ATOM 218 OG1 THR A 15 11.011 1.063 2.872 1.00 0.00 O ATOM 219 CG2 THR A 15 10.762 2.505 4.564 1.00 0.00 C ATOM 0 H THR A 15 8.723 2.430 2.707 1.00 0.00 H new ATOM 0 HA THR A 15 10.728 4.278 2.260 1.00 0.00 H new ATOM 0 HB THR A 15 12.351 2.778 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.682 0.478 3.281 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.366 1.897 5.238 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.782 3.543 4.896 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.734 2.141 4.570 1.00 0.00 H new ATOM 227 N TYR A 16 10.966 1.480 0.421 1.00 0.00 N ATOM 228 CA TYR A 16 11.465 0.877 -0.854 1.00 0.00 C ATOM 229 C TYR A 16 11.263 1.810 -2.097 1.00 0.00 C ATOM 230 O TYR A 16 12.219 2.212 -2.738 1.00 0.00 O ATOM 231 CB TYR A 16 10.716 -0.464 -0.957 1.00 0.00 C ATOM 232 CG TYR A 16 11.113 -1.294 -2.160 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.420 -1.671 -2.347 1.00 0.00 C ATOM 234 CD2 TYR A 16 10.154 -1.680 -3.071 1.00 0.00 C ATOM 235 CE1 TYR A 16 12.757 -2.432 -3.444 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.512 -2.442 -4.161 1.00 0.00 C ATOM 237 CZ TYR A 16 11.808 -2.811 -4.346 1.00 0.00 C ATOM 238 OH TYR A 16 12.184 -3.531 -5.450 1.00 0.00 O ATOM 0 H TYR A 16 10.471 0.831 1.033 1.00 0.00 H new ATOM 0 HA TYR A 16 12.545 0.732 -0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 16 10.899 -1.042 -0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.644 -0.269 -0.999 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.179 -1.373 -1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.124 -1.386 -2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 16 13.784 -2.732 -3.591 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.760 -2.748 -4.873 1.00 0.00 H new ATOM 0 HH TYR A 16 11.395 -3.726 -5.998 1.00 0.00 H new ATOM 248 N VAL A 17 10.048 2.164 -2.434 1.00 0.00 N ATOM 249 CA VAL A 17 9.863 3.057 -3.634 1.00 0.00 C ATOM 250 C VAL A 17 10.601 4.392 -3.528 1.00 0.00 C ATOM 251 O VAL A 17 11.165 4.790 -4.524 1.00 0.00 O ATOM 252 CB VAL A 17 8.353 3.330 -3.884 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.625 2.010 -3.809 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.701 4.310 -2.933 1.00 0.00 C ATOM 0 H VAL A 17 9.194 1.886 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 17 10.298 2.514 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 17 8.285 3.801 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.561 2.171 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.017 1.334 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.771 1.570 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.650 4.428 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.780 3.934 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.203 5.275 -3.004 1.00 0.00 H new ATOM 264 N GLN A 18 10.602 5.067 -2.404 1.00 0.00 N ATOM 265 CA GLN A 18 11.367 6.375 -2.381 1.00 0.00 C ATOM 266 C GLN A 18 12.886 6.106 -2.273 1.00 0.00 C ATOM 267 O GLN A 18 13.713 6.914 -2.644 1.00 0.00 O ATOM 268 CB GLN A 18 10.851 7.276 -1.183 1.00 0.00 C ATOM 269 CG GLN A 18 10.450 6.450 0.072 1.00 0.00 C ATOM 270 CD GLN A 18 9.974 7.275 1.273 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.792 6.762 2.361 1.00 0.00 O ATOM 272 NE2 GLN A 18 9.747 8.550 1.156 1.00 0.00 N ATOM 0 H GLN A 18 10.136 4.797 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 18 11.192 6.914 -3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.630 7.987 -0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.992 7.858 -1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.658 5.756 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.306 5.850 0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.889 9.013 0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.427 9.087 1.962 1.00 0.00 H new ATOM 281 N GLY A 19 13.216 4.964 -1.750 1.00 0.00 N ATOM 282 CA GLY A 19 14.647 4.513 -1.577 1.00 0.00 C ATOM 283 C GLY A 19 15.217 4.573 -0.150 1.00 0.00 C ATOM 284 O GLY A 19 16.243 5.176 0.099 1.00 0.00 O ATOM 0 H GLY A 19 12.531 4.286 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.727 3.486 -1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.278 5.124 -2.222 1.00 0.00 H new ATOM 288 N GLY A 20 14.513 3.937 0.736 1.00 0.00 N ATOM 289 CA GLY A 20 14.915 3.877 2.187 1.00 0.00 C ATOM 290 C GLY A 20 15.094 2.416 2.642 1.00 0.00 C ATOM 291 O GLY A 20 14.945 1.503 1.854 1.00 0.00 O ATOM 0 H GLY A 20 13.650 3.438 0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.845 4.426 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.157 4.364 2.800 1.00 0.00 H new ATOM 295 N PRO A 21 15.402 2.191 3.901 1.00 0.00 N ATOM 296 CA PRO A 21 15.408 0.812 4.486 1.00 0.00 C ATOM 297 C PRO A 21 14.322 -0.134 3.894 1.00 0.00 C ATOM 298 O PRO A 21 13.143 0.060 4.114 1.00 0.00 O ATOM 299 CB PRO A 21 15.286 1.089 6.015 1.00 0.00 C ATOM 300 CG PRO A 21 14.995 2.619 6.120 1.00 0.00 C ATOM 301 CD PRO A 21 15.747 3.213 4.923 1.00 0.00 C ATOM 0 HA PRO A 21 16.307 0.246 4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.483 0.502 6.461 1.00 0.00 H new ATOM 0 HB3 PRO A 21 16.204 0.824 6.540 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.927 2.828 6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.353 3.031 7.063 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.395 4.210 4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.820 3.290 5.096 1.00 0.00 H new ATOM 309 N GLY A 22 14.756 -1.123 3.152 1.00 0.00 N ATOM 310 CA GLY A 22 13.830 -2.129 2.502 1.00 0.00 C ATOM 311 C GLY A 22 14.143 -2.336 1.002 1.00 0.00 C ATOM 312 O GLY A 22 14.858 -1.558 0.408 1.00 0.00 O ATOM 0 H GLY A 22 15.744 -1.287 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.912 -3.083 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.799 -1.793 2.612 1.00 0.00 H new ATOM 316 N PRO A 23 13.612 -3.368 0.407 1.00 0.00 N ATOM 317 CA PRO A 23 12.434 -4.117 0.878 1.00 0.00 C ATOM 318 C PRO A 23 12.922 -5.337 1.687 1.00 0.00 C ATOM 319 O PRO A 23 13.746 -6.128 1.253 1.00 0.00 O ATOM 320 CB PRO A 23 11.737 -4.426 -0.420 1.00 0.00 C ATOM 321 CG PRO A 23 12.939 -4.829 -1.328 1.00 0.00 C ATOM 322 CD PRO A 23 14.132 -3.934 -0.863 1.00 0.00 C ATOM 0 HA PRO A 23 11.754 -3.610 1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.013 -5.234 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.198 -3.564 -0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.176 -5.887 -1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.709 -4.661 -2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.042 -4.514 -0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.368 -3.157 -1.590 1.00 0.00 H new ATOM 330 N SER A 24 12.365 -5.425 2.858 1.00 0.00 N ATOM 331 CA SER A 24 12.679 -6.527 3.827 1.00 0.00 C ATOM 332 C SER A 24 11.388 -7.294 4.184 1.00 0.00 C ATOM 333 O SER A 24 10.307 -6.861 3.819 1.00 0.00 O ATOM 334 CB SER A 24 13.304 -5.878 5.063 1.00 0.00 C ATOM 335 OG SER A 24 14.544 -5.365 4.576 1.00 0.00 O ATOM 0 H SER A 24 11.677 -4.756 3.203 1.00 0.00 H new ATOM 0 HA SER A 24 13.374 -7.249 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.671 -5.086 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.455 -6.602 5.864 1.00 0.00 H new ATOM 0 HG SER A 24 15.024 -4.922 5.306 1.00 0.00 H new ATOM 341 N GLY A 25 11.514 -8.407 4.876 1.00 0.00 N ATOM 342 CA GLY A 25 10.330 -9.265 5.294 1.00 0.00 C ATOM 343 C GLY A 25 9.012 -8.508 5.521 1.00 0.00 C ATOM 344 O GLY A 25 8.025 -8.737 4.844 1.00 0.00 O ATOM 0 H GLY A 25 12.415 -8.775 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.166 -10.024 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.590 -9.790 6.213 1.00 0.00 H new ATOM 348 N GLU A 26 9.091 -7.635 6.492 1.00 0.00 N ATOM 349 CA GLU A 26 7.964 -6.752 6.932 1.00 0.00 C ATOM 350 C GLU A 26 7.140 -6.208 5.768 1.00 0.00 C ATOM 351 O GLU A 26 5.921 -6.229 5.797 1.00 0.00 O ATOM 352 CB GLU A 26 8.561 -5.571 7.803 1.00 0.00 C ATOM 353 CG GLU A 26 9.720 -4.688 7.150 1.00 0.00 C ATOM 354 CD GLU A 26 11.149 -5.216 7.347 1.00 0.00 C ATOM 355 OE1 GLU A 26 11.323 -6.418 7.311 1.00 0.00 O ATOM 356 OE2 GLU A 26 11.990 -4.352 7.508 1.00 0.00 O ATOM 0 H GLU A 26 9.945 -7.491 7.030 1.00 0.00 H new ATOM 0 HA GLU A 26 7.274 -7.352 7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.742 -4.905 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.944 -5.997 8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.528 -4.602 6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.663 -3.682 7.566 1.00 0.00 H new ATOM 363 N CYS A 27 7.839 -5.744 4.756 1.00 0.00 N ATOM 364 CA CYS A 27 7.125 -5.185 3.569 1.00 0.00 C ATOM 365 C CYS A 27 6.359 -6.290 2.913 1.00 0.00 C ATOM 366 O CYS A 27 5.180 -6.190 2.724 1.00 0.00 O ATOM 367 CB CYS A 27 8.078 -4.629 2.503 1.00 0.00 C ATOM 368 SG CYS A 27 7.273 -4.222 0.928 1.00 0.00 S ATOM 0 H CYS A 27 8.858 -5.729 4.703 1.00 0.00 H new ATOM 0 HA CYS A 27 6.492 -4.376 3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.560 -3.733 2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.865 -5.360 2.318 1.00 0.00 H new ATOM 373 N CYS A 28 7.042 -7.337 2.590 1.00 0.00 N ATOM 374 CA CYS A 28 6.331 -8.467 1.922 1.00 0.00 C ATOM 375 C CYS A 28 5.182 -9.078 2.674 1.00 0.00 C ATOM 376 O CYS A 28 4.108 -9.212 2.109 1.00 0.00 O ATOM 377 CB CYS A 28 7.374 -9.486 1.597 1.00 0.00 C ATOM 378 SG CYS A 28 8.403 -8.869 0.257 1.00 0.00 S ATOM 0 H CYS A 28 8.041 -7.469 2.751 1.00 0.00 H new ATOM 0 HA CYS A 28 5.835 -8.066 1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.985 -9.692 2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.904 -10.426 1.308 1.00 0.00 H new ATOM 383 N ASN A 29 5.408 -9.406 3.918 1.00 0.00 N ATOM 384 CA ASN A 29 4.268 -10.013 4.652 1.00 0.00 C ATOM 385 C ASN A 29 3.231 -8.919 4.766 1.00 0.00 C ATOM 386 O ASN A 29 2.082 -9.237 4.543 1.00 0.00 O ATOM 387 CB ASN A 29 4.698 -10.528 6.057 1.00 0.00 C ATOM 388 CG ASN A 29 5.191 -9.483 7.005 1.00 0.00 C ATOM 389 OD1 ASN A 29 6.350 -9.169 7.042 1.00 0.00 O ATOM 390 ND2 ASN A 29 4.349 -8.918 7.806 1.00 0.00 N ATOM 0 H ASN A 29 6.281 -9.288 4.432 1.00 0.00 H new ATOM 0 HA ASN A 29 3.879 -10.885 4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.848 -11.036 6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.482 -11.274 5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.670 -8.209 8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.364 -9.181 7.779 1.00 0.00 H new ATOM 397 N GLY A 30 3.617 -7.703 5.088 1.00 0.00 N ATOM 398 CA GLY A 30 2.619 -6.594 5.202 1.00 0.00 C ATOM 399 C GLY A 30 1.851 -6.571 3.884 1.00 0.00 C ATOM 400 O GLY A 30 0.692 -6.875 3.839 1.00 0.00 O ATOM 0 H GLY A 30 4.583 -7.434 5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.945 -6.763 6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.116 -5.640 5.379 1.00 0.00 H new ATOM 404 N VAL A 31 2.537 -6.203 2.852 1.00 0.00 N ATOM 405 CA VAL A 31 2.025 -6.122 1.446 1.00 0.00 C ATOM 406 C VAL A 31 0.947 -7.183 1.200 1.00 0.00 C ATOM 407 O VAL A 31 -0.194 -6.888 0.901 1.00 0.00 O ATOM 408 CB VAL A 31 3.276 -6.316 0.559 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.979 -6.866 -0.800 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.914 -4.991 0.322 1.00 0.00 C ATOM 0 H VAL A 31 3.517 -5.930 2.926 1.00 0.00 H new ATOM 0 HA VAL A 31 1.538 -5.173 1.224 1.00 0.00 H new ATOM 0 HB VAL A 31 3.908 -7.022 1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.908 -6.973 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.501 -7.840 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.312 -6.186 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.798 -5.119 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.207 -4.331 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.205 -4.552 1.276 1.00 0.00 H new ATOM 420 N ARG A 32 1.405 -8.408 1.334 1.00 0.00 N ATOM 421 CA ARG A 32 0.574 -9.633 1.153 1.00 0.00 C ATOM 422 C ARG A 32 -0.667 -9.429 2.019 1.00 0.00 C ATOM 423 O ARG A 32 -1.805 -9.497 1.547 1.00 0.00 O ATOM 424 CB ARG A 32 1.526 -10.774 1.572 1.00 0.00 C ATOM 425 CG ARG A 32 1.011 -12.129 1.104 1.00 0.00 C ATOM 426 CD ARG A 32 -0.257 -12.552 1.907 1.00 0.00 C ATOM 427 NE ARG A 32 0.126 -12.824 3.354 1.00 0.00 N ATOM 428 CZ ARG A 32 -0.322 -12.115 4.322 1.00 0.00 C ATOM 429 NH1 ARG A 32 -1.465 -12.333 4.831 1.00 0.00 N ATOM 430 NH2 ARG A 32 0.420 -11.183 4.764 1.00 0.00 N ATOM 0 H ARG A 32 2.375 -8.611 1.575 1.00 0.00 H new ATOM 0 HA ARG A 32 0.198 -9.858 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.516 -10.595 1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.634 -10.779 2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.775 -12.085 0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.791 -12.881 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.009 -11.765 1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.701 -13.443 1.463 1.00 0.00 H new ATOM 0 HE ARG A 32 0.760 -13.596 3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.049 -13.087 4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.799 -11.754 5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.337 -11.021 4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.098 -10.597 5.534 1.00 0.00 H new ATOM 444 N ASP A 33 -0.347 -9.192 3.272 1.00 0.00 N ATOM 445 CA ASP A 33 -1.404 -8.942 4.290 1.00 0.00 C ATOM 446 C ASP A 33 -2.267 -7.913 3.619 1.00 0.00 C ATOM 447 O ASP A 33 -3.248 -8.327 3.083 1.00 0.00 O ATOM 448 CB ASP A 33 -0.762 -8.400 5.556 1.00 0.00 C ATOM 449 CG ASP A 33 -1.042 -9.153 6.806 1.00 0.00 C ATOM 450 OD1 ASP A 33 -1.272 -10.345 6.728 1.00 0.00 O ATOM 451 OD2 ASP A 33 -0.992 -8.437 7.778 1.00 0.00 O ATOM 0 H ASP A 33 0.608 -9.162 3.628 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.968 -9.825 4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.317 -8.371 5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.093 -7.371 5.694 1.00 0.00 H new ATOM 456 N LEU A 34 -1.878 -6.673 3.656 1.00 0.00 N ATOM 457 CA LEU A 34 -2.537 -5.484 3.069 1.00 0.00 C ATOM 458 C LEU A 34 -3.438 -5.890 1.918 1.00 0.00 C ATOM 459 O LEU A 34 -4.614 -5.622 1.977 1.00 0.00 O ATOM 460 CB LEU A 34 -1.362 -4.527 2.659 1.00 0.00 C ATOM 461 CG LEU A 34 -1.330 -3.118 3.351 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.767 -2.035 2.356 1.00 0.00 C ATOM 463 CD2 LEU A 34 -2.267 -2.999 4.548 1.00 0.00 C ATOM 0 H LEU A 34 -1.015 -6.416 4.136 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.204 -4.971 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.420 -5.033 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.406 -4.376 1.580 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.302 -2.991 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.742 -1.061 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.089 -2.031 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.781 -2.243 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.189 -1.998 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.293 -3.178 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.990 -3.736 5.302 1.00 0.00 H new ATOM 475 N HIS A 35 -2.931 -6.516 0.887 1.00 0.00 N ATOM 476 CA HIS A 35 -3.793 -6.944 -0.279 1.00 0.00 C ATOM 477 C HIS A 35 -5.076 -7.523 0.300 1.00 0.00 C ATOM 478 O HIS A 35 -6.178 -7.154 -0.082 1.00 0.00 O ATOM 479 CB HIS A 35 -2.955 -7.972 -1.117 1.00 0.00 C ATOM 480 CG HIS A 35 -3.731 -8.981 -2.012 1.00 0.00 C ATOM 481 ND1 HIS A 35 -3.180 -9.710 -2.931 1.00 0.00 N ATOM 482 CD2 HIS A 35 -5.065 -9.370 -2.075 1.00 0.00 C ATOM 483 CE1 HIS A 35 -4.066 -10.473 -3.499 1.00 0.00 C ATOM 484 NE2 HIS A 35 -5.253 -10.289 -2.996 1.00 0.00 N ATOM 0 H HIS A 35 -1.944 -6.756 0.794 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.076 -6.130 -0.947 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.277 -7.408 -1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.337 -8.544 -0.425 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.190 -9.688 -3.175 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.847 -8.968 -1.447 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.845 -11.173 -4.291 1.00 0.00 H new ATOM 492 N ASN A 36 -4.848 -8.409 1.229 1.00 0.00 N ATOM 493 CA ASN A 36 -5.999 -9.076 1.910 1.00 0.00 C ATOM 494 C ASN A 36 -6.435 -8.359 3.216 1.00 0.00 C ATOM 495 O ASN A 36 -7.545 -8.514 3.680 1.00 0.00 O ATOM 496 CB ASN A 36 -5.519 -10.512 2.164 1.00 0.00 C ATOM 497 CG ASN A 36 -5.210 -11.163 0.832 1.00 0.00 C ATOM 498 OD1 ASN A 36 -4.049 -11.040 0.270 1.00 0.00 O flip ATOM 499 ND2 ASN A 36 -6.053 -11.810 0.257 1.00 0.00 N flip ATOM 0 H ASN A 36 -3.923 -8.700 1.546 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.897 -9.046 1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.632 -10.507 2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.285 -11.079 2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.978 -11.927 0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.840 -12.240 -0.643 1.00 0.00 H new ATOM 506 N GLN A 37 -5.559 -7.569 3.763 1.00 0.00 N ATOM 507 CA GLN A 37 -5.765 -6.815 5.008 1.00 0.00 C ATOM 508 C GLN A 37 -6.007 -5.329 4.843 1.00 0.00 C ATOM 509 O GLN A 37 -5.789 -4.547 5.746 1.00 0.00 O ATOM 510 CB GLN A 37 -4.542 -7.084 5.852 1.00 0.00 C ATOM 511 CG GLN A 37 -4.574 -8.559 6.353 1.00 0.00 C ATOM 512 CD GLN A 37 -4.506 -8.503 7.852 1.00 0.00 C ATOM 513 OE1 GLN A 37 -5.353 -8.936 8.598 1.00 0.00 O ATOM 514 NE2 GLN A 37 -3.447 -7.938 8.302 1.00 0.00 N ATOM 0 H GLN A 37 -4.638 -7.412 3.354 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.690 -7.155 5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.638 -6.906 5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.515 -6.400 6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.484 -9.060 6.025 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.735 -9.124 5.948 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.745 -7.580 7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.306 -7.847 9.308 1.00 0.00 H new ATOM 523 N ALA A 38 -6.450 -4.951 3.679 1.00 0.00 N ATOM 524 CA ALA A 38 -6.755 -3.514 3.431 1.00 0.00 C ATOM 525 C ALA A 38 -8.100 -3.661 4.184 1.00 0.00 C ATOM 526 O ALA A 38 -8.199 -3.199 5.308 1.00 0.00 O ATOM 527 CB ALA A 38 -6.794 -3.370 1.885 1.00 0.00 C ATOM 0 H ALA A 38 -6.615 -5.573 2.888 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.147 -2.661 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.014 -2.336 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.827 -3.653 1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.568 -4.021 1.478 1.00 0.00 H new ATOM 533 N GLN A 39 -9.073 -4.280 3.571 1.00 0.00 N ATOM 534 CA GLN A 39 -10.402 -4.507 4.232 1.00 0.00 C ATOM 535 C GLN A 39 -11.200 -5.495 3.364 1.00 0.00 C ATOM 536 O GLN A 39 -11.356 -6.660 3.674 1.00 0.00 O ATOM 537 CB GLN A 39 -11.134 -3.167 4.411 1.00 0.00 C ATOM 538 CG GLN A 39 -10.828 -2.532 5.822 1.00 0.00 C ATOM 539 CD GLN A 39 -11.890 -1.543 6.280 1.00 0.00 C ATOM 540 OE1 GLN A 39 -12.809 -1.132 5.475 1.00 0.00 O flip ATOM 541 NE2 GLN A 39 -11.900 -1.100 7.411 1.00 0.00 N flip ATOM 0 H GLN A 39 -9.006 -4.647 2.622 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.279 -4.934 5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.830 -2.476 3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.208 -3.319 4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.741 -3.329 6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.863 -2.027 5.784 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.191 -1.398 8.082 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.617 -0.430 7.690 1.00 0.00 H new ATOM 550 N SER A 40 -11.700 -4.967 2.275 1.00 0.00 N ATOM 551 CA SER A 40 -12.499 -5.794 1.302 1.00 0.00 C ATOM 552 C SER A 40 -12.309 -5.334 -0.179 1.00 0.00 C ATOM 553 O SER A 40 -11.450 -5.797 -0.904 1.00 0.00 O ATOM 554 CB SER A 40 -13.983 -5.704 1.775 1.00 0.00 C ATOM 555 OG SER A 40 -14.352 -4.331 1.645 1.00 0.00 O ATOM 0 H SER A 40 -11.591 -3.988 2.011 1.00 0.00 H new ATOM 0 HA SER A 40 -12.156 -6.828 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.626 -6.341 1.167 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.085 -6.040 2.807 1.00 0.00 H new ATOM 0 HG SER A 40 -13.619 -3.764 1.963 1.00 0.00 H new ATOM 561 N SER A 41 -13.123 -4.417 -0.609 1.00 0.00 N ATOM 562 CA SER A 41 -13.117 -3.830 -1.985 1.00 0.00 C ATOM 563 C SER A 41 -12.649 -2.364 -1.808 1.00 0.00 C ATOM 564 O SER A 41 -11.474 -2.074 -1.634 1.00 0.00 O ATOM 565 CB SER A 41 -14.587 -3.997 -2.503 1.00 0.00 C ATOM 566 OG SER A 41 -14.782 -3.081 -3.577 1.00 0.00 O ATOM 0 H SER A 41 -13.851 -4.018 -0.016 1.00 0.00 H new ATOM 0 HA SER A 41 -12.454 -4.294 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.759 -5.020 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.298 -3.801 -1.701 1.00 0.00 H new ATOM 0 HG SER A 41 -15.696 -3.168 -3.920 1.00 0.00 H new ATOM 572 N GLY A 42 -13.631 -1.506 -1.887 1.00 0.00 N ATOM 573 CA GLY A 42 -13.514 -0.013 -1.742 1.00 0.00 C ATOM 574 C GLY A 42 -12.230 0.475 -1.084 1.00 0.00 C ATOM 575 O GLY A 42 -11.492 1.247 -1.651 1.00 0.00 O ATOM 0 H GLY A 42 -14.591 -1.804 -2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.592 0.439 -2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.362 0.347 -1.159 1.00 0.00 H new ATOM 579 N ASP A 43 -11.988 0.015 0.109 1.00 0.00 N ATOM 580 CA ASP A 43 -10.774 0.396 0.894 1.00 0.00 C ATOM 581 C ASP A 43 -9.492 0.580 0.052 1.00 0.00 C ATOM 582 O ASP A 43 -8.773 1.550 0.222 1.00 0.00 O ATOM 583 CB ASP A 43 -10.662 -0.697 1.968 1.00 0.00 C ATOM 584 CG ASP A 43 -12.060 -0.832 2.574 1.00 0.00 C ATOM 585 OD1 ASP A 43 -12.495 0.153 3.142 1.00 0.00 O ATOM 586 OD2 ASP A 43 -12.609 -1.915 2.416 1.00 0.00 O ATOM 0 H ASP A 43 -12.605 -0.636 0.594 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.880 1.390 1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.332 -1.640 1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.931 -0.424 2.729 1.00 0.00 H new ATOM 591 N ARG A 44 -9.202 -0.314 -0.856 1.00 0.00 N ATOM 592 CA ARG A 44 -7.956 -0.090 -1.640 1.00 0.00 C ATOM 593 C ARG A 44 -8.074 1.314 -2.320 1.00 0.00 C ATOM 594 O ARG A 44 -7.117 2.052 -2.379 1.00 0.00 O ATOM 595 CB ARG A 44 -7.820 -1.211 -2.652 1.00 0.00 C ATOM 596 CG ARG A 44 -6.604 -2.092 -2.253 1.00 0.00 C ATOM 597 CD ARG A 44 -7.051 -3.248 -1.349 1.00 0.00 C ATOM 598 NE ARG A 44 -7.736 -4.201 -2.274 1.00 0.00 N ATOM 599 CZ ARG A 44 -8.861 -4.743 -2.076 1.00 0.00 C ATOM 600 NH1 ARG A 44 -8.884 -5.684 -1.229 1.00 0.00 N ATOM 601 NH2 ARG A 44 -9.893 -4.353 -2.712 1.00 0.00 N ATOM 0 H ARG A 44 -9.743 -1.149 -1.081 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.063 -0.098 -1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.730 -1.811 -2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.679 -0.803 -3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.125 -2.487 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.861 -1.484 -1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.201 -3.717 -0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.725 -2.902 -0.565 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.253 -4.435 -3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.026 -5.963 -0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.760 -6.163 -1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.818 -3.595 -3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.795 -4.799 -2.543 1.00 0.00 H new ATOM 615 N GLN A 45 -9.243 1.651 -2.820 1.00 0.00 N ATOM 616 CA GLN A 45 -9.504 2.970 -3.479 1.00 0.00 C ATOM 617 C GLN A 45 -9.154 4.083 -2.432 1.00 0.00 C ATOM 618 O GLN A 45 -8.748 5.178 -2.770 1.00 0.00 O ATOM 619 CB GLN A 45 -11.020 2.976 -3.918 1.00 0.00 C ATOM 620 CG GLN A 45 -11.361 1.642 -4.682 1.00 0.00 C ATOM 621 CD GLN A 45 -12.716 1.714 -5.377 1.00 0.00 C ATOM 622 OE1 GLN A 45 -13.775 1.691 -4.794 1.00 0.00 O ATOM 623 NE2 GLN A 45 -12.712 1.808 -6.660 1.00 0.00 N ATOM 0 H GLN A 45 -10.058 1.038 -2.795 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.900 3.149 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.661 3.078 -3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.219 3.834 -4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.585 1.438 -5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.358 0.810 -3.978 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.827 1.829 -7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.594 1.862 -7.170 1.00 0.00 H new ATOM 632 N THR A 46 -9.318 3.797 -1.163 1.00 0.00 N ATOM 633 CA THR A 46 -8.978 4.819 -0.099 1.00 0.00 C ATOM 634 C THR A 46 -7.433 4.861 -0.104 1.00 0.00 C ATOM 635 O THR A 46 -6.797 5.899 -0.226 1.00 0.00 O ATOM 636 CB THR A 46 -9.510 4.360 1.305 1.00 0.00 C ATOM 637 OG1 THR A 46 -10.890 4.714 1.358 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.957 5.236 2.404 1.00 0.00 C ATOM 0 H THR A 46 -9.670 2.907 -0.810 1.00 0.00 H new ATOM 0 HA THR A 46 -9.429 5.792 -0.294 1.00 0.00 H new ATOM 0 HB THR A 46 -9.263 3.305 1.427 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.264 4.442 2.222 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.340 4.898 3.367 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.869 5.175 2.405 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.262 6.269 2.235 1.00 0.00 H new ATOM 646 N VAL A 47 -6.862 3.690 0.023 1.00 0.00 N ATOM 647 CA VAL A 47 -5.359 3.556 0.024 1.00 0.00 C ATOM 648 C VAL A 47 -4.813 4.396 -1.159 1.00 0.00 C ATOM 649 O VAL A 47 -3.948 5.224 -0.977 1.00 0.00 O ATOM 650 CB VAL A 47 -5.017 2.042 -0.110 1.00 0.00 C ATOM 651 CG1 VAL A 47 -4.149 1.702 -1.323 1.00 0.00 C ATOM 652 CG2 VAL A 47 -4.262 1.617 1.114 1.00 0.00 C ATOM 0 H VAL A 47 -7.369 2.811 0.127 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.901 3.924 0.942 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.967 1.522 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.956 0.629 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.668 1.995 -2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.203 2.239 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.013 0.558 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.345 2.200 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.878 1.783 1.998 1.00 0.00 H new ATOM 662 N CYS A 48 -5.331 4.145 -2.333 1.00 0.00 N ATOM 663 CA CYS A 48 -4.931 4.876 -3.577 1.00 0.00 C ATOM 664 C CYS A 48 -4.689 6.351 -3.258 1.00 0.00 C ATOM 665 O CYS A 48 -3.697 6.911 -3.660 1.00 0.00 O ATOM 666 CB CYS A 48 -6.042 4.695 -4.558 1.00 0.00 C ATOM 667 SG CYS A 48 -6.276 5.982 -5.793 1.00 0.00 S ATOM 0 H CYS A 48 -6.045 3.433 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.001 4.488 -3.994 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.879 3.753 -5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.972 4.593 -3.998 1.00 0.00 H new ATOM 672 N ASN A 49 -5.614 6.930 -2.542 1.00 0.00 N ATOM 673 CA ASN A 49 -5.513 8.365 -2.135 1.00 0.00 C ATOM 674 C ASN A 49 -4.353 8.547 -1.137 1.00 0.00 C ATOM 675 O ASN A 49 -3.551 9.455 -1.273 1.00 0.00 O ATOM 676 CB ASN A 49 -6.866 8.783 -1.510 1.00 0.00 C ATOM 677 CG ASN A 49 -7.850 8.765 -2.656 1.00 0.00 C ATOM 678 OD1 ASN A 49 -8.830 7.934 -2.679 1.00 0.00 O flip ATOM 679 ND2 ASN A 49 -7.731 9.526 -3.590 1.00 0.00 N flip ATOM 0 H ASN A 49 -6.457 6.458 -2.213 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.304 8.998 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.166 8.093 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.803 9.774 -1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.965 10.199 -3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.397 9.494 -4.362 1.00 0.00 H new ATOM 686 N CYS A 50 -4.259 7.685 -0.151 1.00 0.00 N ATOM 687 CA CYS A 50 -3.129 7.847 0.836 1.00 0.00 C ATOM 688 C CYS A 50 -1.775 7.804 0.050 1.00 0.00 C ATOM 689 O CYS A 50 -0.842 8.570 0.256 1.00 0.00 O ATOM 690 CB CYS A 50 -3.298 6.691 1.895 1.00 0.00 C ATOM 691 SG CYS A 50 -4.586 6.902 3.155 1.00 0.00 S ATOM 0 H CYS A 50 -4.889 6.900 0.015 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.138 8.799 1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.502 5.766 1.356 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.344 6.559 2.406 1.00 0.00 H new ATOM 696 N LEU A 51 -1.746 6.871 -0.862 1.00 0.00 N ATOM 697 CA LEU A 51 -0.559 6.640 -1.746 1.00 0.00 C ATOM 698 C LEU A 51 -0.370 7.917 -2.559 1.00 0.00 C ATOM 699 O LEU A 51 0.680 8.523 -2.507 1.00 0.00 O ATOM 700 CB LEU A 51 -0.820 5.465 -2.691 1.00 0.00 C ATOM 701 CG LEU A 51 -1.231 4.145 -2.002 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.525 3.039 -2.745 1.00 0.00 C ATOM 703 CD2 LEU A 51 -0.916 4.027 -0.495 1.00 0.00 C ATOM 0 H LEU A 51 -2.523 6.235 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 51 0.326 6.404 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.605 5.750 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.081 5.285 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.319 4.093 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.781 2.079 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.835 3.047 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.553 3.191 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.252 3.057 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.159 4.122 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.432 4.819 0.048 1.00 0.00 H new ATOM 715 N LYS A 52 -1.395 8.276 -3.300 1.00 0.00 N ATOM 716 CA LYS A 52 -1.409 9.504 -4.150 1.00 0.00 C ATOM 717 C LYS A 52 -0.734 10.654 -3.429 1.00 0.00 C ATOM 718 O LYS A 52 0.148 11.308 -3.951 1.00 0.00 O ATOM 719 CB LYS A 52 -2.846 9.936 -4.438 1.00 0.00 C ATOM 720 CG LYS A 52 -3.392 9.321 -5.723 1.00 0.00 C ATOM 721 CD LYS A 52 -4.689 10.105 -6.072 1.00 0.00 C ATOM 722 CE LYS A 52 -5.518 9.297 -7.062 1.00 0.00 C ATOM 723 NZ LYS A 52 -4.916 9.327 -8.453 1.00 0.00 N ATOM 0 H LYS A 52 -2.260 7.738 -3.348 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.884 9.267 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.483 9.649 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.888 11.023 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.663 9.398 -6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.605 8.261 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.267 10.295 -5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.437 11.076 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.590 8.265 -6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.533 9.694 -7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.673 9.242 -9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.410 10.225 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.251 8.535 -8.561 1.00 0.00 H new ATOM 737 N GLY A 53 -1.205 10.826 -2.218 1.00 0.00 N ATOM 738 CA GLY A 53 -0.678 11.920 -1.350 1.00 0.00 C ATOM 739 C GLY A 53 0.763 11.703 -1.003 1.00 0.00 C ATOM 740 O GLY A 53 1.527 12.520 -1.455 1.00 0.00 O ATOM 0 H GLY A 53 -1.934 10.253 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.790 12.876 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.269 11.976 -0.436 1.00 0.00 H new ATOM 744 N ILE A 54 1.173 10.698 -0.279 1.00 0.00 N ATOM 745 CA ILE A 54 2.650 10.619 -0.016 1.00 0.00 C ATOM 746 C ILE A 54 3.452 10.840 -1.300 1.00 0.00 C ATOM 747 O ILE A 54 4.367 11.636 -1.397 1.00 0.00 O ATOM 748 CB ILE A 54 2.953 9.240 0.592 1.00 0.00 C ATOM 749 CG1 ILE A 54 4.103 9.430 1.587 1.00 0.00 C ATOM 750 CG2 ILE A 54 3.295 8.145 -0.467 1.00 0.00 C ATOM 751 CD1 ILE A 54 4.269 8.176 2.426 1.00 0.00 C ATOM 0 H ILE A 54 0.593 9.963 0.125 1.00 0.00 H new ATOM 0 HA ILE A 54 2.944 11.405 0.679 1.00 0.00 H new ATOM 0 HB ILE A 54 2.055 8.868 1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.028 9.645 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.901 10.286 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.497 7.201 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.452 8.020 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.175 8.449 -1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.088 8.316 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.347 7.980 2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.491 7.330 1.776 1.00 0.00 H new ATOM 763 N ALA A 55 3.052 10.109 -2.305 1.00 0.00 N ATOM 764 CA ALA A 55 3.711 10.171 -3.642 1.00 0.00 C ATOM 765 C ALA A 55 3.861 11.604 -4.141 1.00 0.00 C ATOM 766 O ALA A 55 4.856 11.942 -4.756 1.00 0.00 O ATOM 767 CB ALA A 55 2.860 9.338 -4.578 1.00 0.00 C ATOM 0 H ALA A 55 2.273 9.452 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 55 4.727 9.780 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.299 9.349 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.815 8.312 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.853 9.753 -4.620 1.00 0.00 H new ATOM 773 N ARG A 56 2.833 12.361 -3.851 1.00 0.00 N ATOM 774 CA ARG A 56 2.723 13.804 -4.218 1.00 0.00 C ATOM 775 C ARG A 56 4.024 14.595 -3.947 1.00 0.00 C ATOM 776 O ARG A 56 4.394 15.433 -4.746 1.00 0.00 O ATOM 777 CB ARG A 56 1.532 14.381 -3.428 1.00 0.00 C ATOM 778 CG ARG A 56 1.066 15.739 -4.018 1.00 0.00 C ATOM 779 CD ARG A 56 -0.467 15.753 -3.984 1.00 0.00 C ATOM 780 NE ARG A 56 -0.821 15.743 -2.533 1.00 0.00 N ATOM 781 CZ ARG A 56 -1.772 16.402 -2.009 1.00 0.00 C ATOM 782 NH1 ARG A 56 -2.884 16.439 -2.603 1.00 0.00 N ATOM 783 NH2 ARG A 56 -1.560 16.986 -0.912 1.00 0.00 N ATOM 0 H ARG A 56 2.019 12.012 -3.344 1.00 0.00 H new ATOM 0 HA ARG A 56 2.559 13.897 -5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.704 13.672 -3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.816 14.514 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.470 16.568 -3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.428 15.858 -5.039 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.865 16.638 -4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.881 14.885 -4.497 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.255 15.162 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.007 15.945 -3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.661 16.963 -2.199 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.644 16.922 -0.469 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.305 17.523 -0.468 1.00 0.00 H new ATOM 797 N GLY A 57 4.660 14.302 -2.831 1.00 0.00 N ATOM 798 CA GLY A 57 5.952 14.971 -2.398 1.00 0.00 C ATOM 799 C GLY A 57 7.123 14.020 -2.029 1.00 0.00 C ATOM 800 O GLY A 57 8.269 14.422 -2.051 1.00 0.00 O ATOM 0 H GLY A 57 4.327 13.598 -2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.284 15.628 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.739 15.603 -1.536 1.00 0.00 H new ATOM 804 N ILE A 58 6.816 12.797 -1.699 1.00 0.00 N ATOM 805 CA ILE A 58 7.763 11.700 -1.299 1.00 0.00 C ATOM 806 C ILE A 58 9.296 11.816 -1.265 1.00 0.00 C ATOM 807 O ILE A 58 9.789 11.702 -0.159 1.00 0.00 O ATOM 808 CB ILE A 58 7.353 10.440 -2.167 1.00 0.00 C ATOM 809 CG1 ILE A 58 6.581 9.456 -1.236 1.00 0.00 C ATOM 810 CG2 ILE A 58 8.504 9.758 -2.987 1.00 0.00 C ATOM 811 CD1 ILE A 58 7.021 8.008 -1.358 1.00 0.00 C ATOM 0 H ILE A 58 5.846 12.482 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 58 7.616 11.687 -0.219 1.00 0.00 H new ATOM 0 HB ILE A 58 6.709 10.790 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.708 9.777 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.516 9.521 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.103 8.909 -3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.929 10.478 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.281 9.412 -2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.435 7.391 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.867 7.666 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.078 7.926 -1.103 1.00 0.00 H new ATOM 823 N HIS A 59 9.965 12.032 -2.385 1.00 0.00 N ATOM 824 CA HIS A 59 11.480 12.163 -2.538 1.00 0.00 C ATOM 825 C HIS A 59 12.115 11.498 -3.806 1.00 0.00 C ATOM 826 O HIS A 59 12.216 12.139 -4.830 1.00 0.00 O ATOM 827 CB HIS A 59 12.236 11.550 -1.293 1.00 0.00 C ATOM 828 CG HIS A 59 12.563 12.691 -0.326 1.00 0.00 C ATOM 829 ND1 HIS A 59 11.689 13.355 0.332 1.00 0.00 N ATOM 830 CD2 HIS A 59 13.763 13.268 0.050 1.00 0.00 C ATOM 831 CE1 HIS A 59 12.257 14.265 1.057 1.00 0.00 C ATOM 832 NE2 HIS A 59 13.556 14.244 0.911 1.00 0.00 N ATOM 0 H HIS A 59 9.483 12.132 -3.278 1.00 0.00 H new ATOM 0 HA HIS A 59 11.609 13.241 -2.632 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.615 10.801 -0.802 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.149 11.048 -1.612 1.00 0.00 H new ATOM 0 HD1 HIS A 59 10.683 13.190 0.291 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.733 12.961 -0.311 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.726 14.952 1.699 1.00 0.00 H new ATOM 840 N ASN A 60 12.525 10.254 -3.726 1.00 0.00 N ATOM 841 CA ASN A 60 13.151 9.554 -4.905 1.00 0.00 C ATOM 842 C ASN A 60 12.261 8.366 -5.312 1.00 0.00 C ATOM 843 O ASN A 60 12.611 7.207 -5.299 1.00 0.00 O ATOM 844 CB ASN A 60 14.575 9.162 -4.428 1.00 0.00 C ATOM 845 CG ASN A 60 15.231 8.122 -5.322 1.00 0.00 C ATOM 846 OD1 ASN A 60 15.497 8.320 -6.483 1.00 0.00 O ATOM 847 ND2 ASN A 60 15.518 6.973 -4.820 1.00 0.00 N ATOM 0 H ASN A 60 12.453 9.682 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 60 13.234 10.164 -5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.201 10.054 -4.396 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.519 8.776 -3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.958 6.259 -5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.305 6.776 -3.842 1.00 0.00 H new ATOM 854 N LEU A 61 11.080 8.750 -5.682 1.00 0.00 N ATOM 855 CA LEU A 61 10.055 7.764 -6.107 1.00 0.00 C ATOM 856 C LEU A 61 10.536 6.947 -7.322 1.00 0.00 C ATOM 857 O LEU A 61 10.556 7.408 -8.442 1.00 0.00 O ATOM 858 CB LEU A 61 8.781 8.588 -6.382 1.00 0.00 C ATOM 859 CG LEU A 61 7.511 7.720 -6.471 1.00 0.00 C ATOM 860 CD1 LEU A 61 7.547 6.545 -5.473 1.00 0.00 C ATOM 861 CD2 LEU A 61 6.320 8.606 -6.065 1.00 0.00 C ATOM 0 H LEU A 61 10.774 9.723 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 61 9.857 7.013 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.655 9.327 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.905 9.138 -7.315 1.00 0.00 H new ATOM 0 HG LEU A 61 7.434 7.326 -7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.633 5.958 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.408 5.912 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.625 6.933 -4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.400 8.024 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.465 8.967 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.250 9.456 -6.744 1.00 0.00 H new ATOM 873 N ASN A 62 10.910 5.733 -7.050 1.00 0.00 N ATOM 874 CA ASN A 62 11.407 4.824 -8.112 1.00 0.00 C ATOM 875 C ASN A 62 10.243 4.245 -8.926 1.00 0.00 C ATOM 876 O ASN A 62 10.325 4.181 -10.135 1.00 0.00 O ATOM 877 CB ASN A 62 12.224 3.777 -7.355 1.00 0.00 C ATOM 878 CG ASN A 62 12.978 2.896 -8.333 1.00 0.00 C ATOM 879 OD1 ASN A 62 12.392 2.168 -9.108 1.00 0.00 O ATOM 880 ND2 ASN A 62 14.273 2.908 -8.366 1.00 0.00 N ATOM 0 H ASN A 62 10.892 5.324 -6.116 1.00 0.00 H new ATOM 0 HA ASN A 62 12.024 5.320 -8.862 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.926 4.269 -6.682 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.565 3.167 -6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.772 2.316 -9.031 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.794 3.509 -7.727 1.00 0.00 H new ATOM 887 N LEU A 63 9.202 3.843 -8.240 1.00 0.00 N ATOM 888 CA LEU A 63 7.970 3.252 -8.906 1.00 0.00 C ATOM 889 C LEU A 63 8.183 1.838 -9.488 1.00 0.00 C ATOM 890 O LEU A 63 7.470 0.924 -9.127 1.00 0.00 O ATOM 891 CB LEU A 63 7.478 4.185 -10.064 1.00 0.00 C ATOM 892 CG LEU A 63 7.151 5.593 -9.547 1.00 0.00 C ATOM 893 CD1 LEU A 63 6.865 6.485 -10.763 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.870 5.538 -8.675 1.00 0.00 C ATOM 0 H LEU A 63 9.141 3.896 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 63 7.227 3.172 -8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.247 4.248 -10.834 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.593 3.752 -10.531 1.00 0.00 H new ATOM 0 HG LEU A 63 7.983 5.979 -8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.629 7.494 -10.426 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.743 6.514 -11.408 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.019 6.081 -11.320 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.637 6.537 -8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.038 5.168 -9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.034 4.869 -7.830 1.00 0.00 H new ATOM 906 N ASN A 64 9.144 1.684 -10.373 1.00 0.00 N ATOM 907 CA ASN A 64 9.441 0.328 -10.997 1.00 0.00 C ATOM 908 C ASN A 64 9.445 -0.632 -9.794 1.00 0.00 C ATOM 909 O ASN A 64 8.841 -1.684 -9.738 1.00 0.00 O ATOM 910 CB ASN A 64 10.829 0.371 -11.666 1.00 0.00 C ATOM 911 CG ASN A 64 10.957 1.687 -12.387 1.00 0.00 C ATOM 912 OD1 ASN A 64 10.466 1.881 -13.471 1.00 0.00 O ATOM 913 ND2 ASN A 64 11.606 2.639 -11.814 1.00 0.00 N ATOM 0 H ASN A 64 9.746 2.440 -10.699 1.00 0.00 H new ATOM 0 HA ASN A 64 8.725 0.030 -11.763 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.616 0.268 -10.919 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.942 -0.459 -12.364 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.700 3.543 -12.277 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.027 2.490 -10.897 1.00 0.00 H new ATOM 920 N ASN A 65 10.201 -0.144 -8.849 1.00 0.00 N ATOM 921 CA ASN A 65 10.413 -0.807 -7.540 1.00 0.00 C ATOM 922 C ASN A 65 9.022 -1.252 -7.028 1.00 0.00 C ATOM 923 O ASN A 65 8.775 -2.421 -6.844 1.00 0.00 O ATOM 924 CB ASN A 65 11.095 0.277 -6.732 1.00 0.00 C ATOM 925 CG ASN A 65 12.039 -0.211 -5.690 1.00 0.00 C ATOM 926 OD1 ASN A 65 11.872 0.252 -4.498 1.00 0.00 O flip ATOM 927 ND2 ASN A 65 12.927 -0.991 -5.961 1.00 0.00 N flip ATOM 0 H ASN A 65 10.706 0.737 -8.943 1.00 0.00 H new ATOM 0 HA ASN A 65 11.023 -1.710 -7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.638 0.930 -7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.330 0.885 -6.250 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.029 -1.336 -6.915 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.572 -1.302 -5.235 1.00 0.00 H new ATOM 934 N ALA A 66 8.136 -0.309 -6.829 1.00 0.00 N ATOM 935 CA ALA A 66 6.759 -0.608 -6.334 1.00 0.00 C ATOM 936 C ALA A 66 6.122 -1.681 -7.249 1.00 0.00 C ATOM 937 O ALA A 66 5.533 -2.632 -6.785 1.00 0.00 O ATOM 938 CB ALA A 66 5.922 0.681 -6.369 1.00 0.00 C ATOM 0 H ALA A 66 8.316 0.681 -6.994 1.00 0.00 H new ATOM 0 HA ALA A 66 6.796 -0.982 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.915 0.471 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.386 1.433 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.871 1.054 -7.392 1.00 0.00 H new ATOM 944 N ALA A 67 6.259 -1.494 -8.538 1.00 0.00 N ATOM 945 CA ALA A 67 5.704 -2.450 -9.560 1.00 0.00 C ATOM 946 C ALA A 67 6.360 -3.817 -9.409 1.00 0.00 C ATOM 947 O ALA A 67 5.821 -4.839 -9.775 1.00 0.00 O ATOM 948 CB ALA A 67 5.960 -1.875 -10.973 1.00 0.00 C ATOM 0 H ALA A 67 6.747 -0.694 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 67 4.631 -2.572 -9.409 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.562 -2.560 -11.722 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.467 -0.908 -11.067 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.032 -1.752 -11.127 1.00 0.00 H new ATOM 954 N SER A 68 7.533 -3.779 -8.870 1.00 0.00 N ATOM 955 CA SER A 68 8.296 -5.020 -8.639 1.00 0.00 C ATOM 956 C SER A 68 7.902 -5.527 -7.256 1.00 0.00 C ATOM 957 O SER A 68 8.145 -6.688 -6.984 1.00 0.00 O ATOM 958 CB SER A 68 9.788 -4.707 -8.678 1.00 0.00 C ATOM 959 OG SER A 68 10.409 -5.961 -8.427 1.00 0.00 O ATOM 0 H SER A 68 8.004 -2.924 -8.574 1.00 0.00 H new ATOM 0 HA SER A 68 8.083 -5.770 -9.401 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.085 -4.301 -9.645 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.061 -3.968 -7.924 1.00 0.00 H new ATOM 0 HG SER A 68 9.783 -6.547 -7.952 1.00 0.00 H new ATOM 965 N ILE A 69 7.298 -4.700 -6.425 1.00 0.00 N ATOM 966 CA ILE A 69 6.941 -5.245 -5.065 1.00 0.00 C ATOM 967 C ILE A 69 6.143 -6.556 -5.206 1.00 0.00 C ATOM 968 O ILE A 69 6.536 -7.545 -4.627 1.00 0.00 O ATOM 969 CB ILE A 69 6.113 -4.177 -4.228 1.00 0.00 C ATOM 970 CG1 ILE A 69 7.040 -3.142 -3.486 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.201 -4.876 -3.195 1.00 0.00 C ATOM 972 CD1 ILE A 69 7.716 -3.738 -2.213 1.00 0.00 C ATOM 0 H ILE A 69 7.048 -3.729 -6.610 1.00 0.00 H new ATOM 0 HA ILE A 69 7.865 -5.456 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 69 5.504 -3.629 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.812 -2.795 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.450 -2.270 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.644 -4.125 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.503 -5.534 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.812 -5.463 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.342 -2.979 -1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.948 -4.059 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.331 -4.593 -2.494 1.00 0.00 H new ATOM 984 N PRO A 70 5.057 -6.593 -5.954 1.00 0.00 N ATOM 985 CA PRO A 70 4.167 -7.790 -6.007 1.00 0.00 C ATOM 986 C PRO A 70 4.947 -9.094 -6.195 1.00 0.00 C ATOM 987 O PRO A 70 4.809 -10.045 -5.443 1.00 0.00 O ATOM 988 CB PRO A 70 3.203 -7.502 -7.161 1.00 0.00 C ATOM 989 CG PRO A 70 3.133 -5.966 -7.195 1.00 0.00 C ATOM 990 CD PRO A 70 4.555 -5.506 -6.845 1.00 0.00 C ATOM 0 HA PRO A 70 3.635 -7.945 -5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.572 -7.908 -8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.223 -7.945 -6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.830 -5.605 -8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.406 -5.586 -6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.174 -5.398 -7.736 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.553 -4.540 -6.340 1.00 0.00 H new ATOM 998 N SER A 71 5.742 -9.019 -7.226 1.00 0.00 N ATOM 999 CA SER A 71 6.645 -10.121 -7.695 1.00 0.00 C ATOM 1000 C SER A 71 7.673 -10.528 -6.645 1.00 0.00 C ATOM 1001 O SER A 71 7.925 -11.691 -6.406 1.00 0.00 O ATOM 1002 CB SER A 71 7.333 -9.623 -8.957 1.00 0.00 C ATOM 1003 OG SER A 71 6.220 -9.276 -9.777 1.00 0.00 O ATOM 0 H SER A 71 5.808 -8.181 -7.803 1.00 0.00 H new ATOM 0 HA SER A 71 6.054 -11.016 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.979 -8.767 -8.760 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.954 -10.393 -9.415 1.00 0.00 H new ATOM 0 HG SER A 71 6.542 -8.933 -10.637 1.00 0.00 H new ATOM 1009 N LYS A 72 8.241 -9.519 -6.053 1.00 0.00 N ATOM 1010 CA LYS A 72 9.278 -9.665 -4.988 1.00 0.00 C ATOM 1011 C LYS A 72 8.668 -10.066 -3.611 1.00 0.00 C ATOM 1012 O LYS A 72 9.349 -10.647 -2.782 1.00 0.00 O ATOM 1013 CB LYS A 72 10.035 -8.257 -5.157 1.00 0.00 C ATOM 1014 CG LYS A 72 10.002 -7.184 -4.038 1.00 0.00 C ATOM 1015 CD LYS A 72 10.902 -7.532 -2.841 1.00 0.00 C ATOM 1016 CE LYS A 72 10.021 -8.014 -1.688 1.00 0.00 C ATOM 1017 NZ LYS A 72 10.653 -9.190 -1.004 1.00 0.00 N ATOM 0 H LYS A 72 8.018 -8.548 -6.274 1.00 0.00 H new ATOM 0 HA LYS A 72 9.986 -10.490 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.084 -8.482 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.638 -7.789 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.314 -6.226 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.976 -7.062 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.617 -8.306 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.479 -6.659 -2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.873 -7.205 -0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.036 -8.290 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.179 -9.358 -0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.558 -10.033 -1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.661 -8.995 -0.838 1.00 0.00 H new ATOM 1031 N CYS A 73 7.418 -9.753 -3.382 1.00 0.00 N ATOM 1032 CA CYS A 73 6.720 -10.103 -2.088 1.00 0.00 C ATOM 1033 C CYS A 73 5.713 -11.291 -2.050 1.00 0.00 C ATOM 1034 O CYS A 73 5.348 -11.721 -0.971 1.00 0.00 O ATOM 1035 CB CYS A 73 6.027 -8.819 -1.598 1.00 0.00 C ATOM 1036 SG CYS A 73 7.176 -7.659 -0.815 1.00 0.00 S ATOM 0 H CYS A 73 6.829 -9.256 -4.051 1.00 0.00 H new ATOM 0 HA CYS A 73 7.514 -10.482 -1.445 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.541 -8.329 -2.442 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.243 -9.083 -0.888 1.00 0.00 H new ATOM 1041 N ASN A 74 5.280 -11.785 -3.180 1.00 0.00 N ATOM 1042 CA ASN A 74 4.311 -12.937 -3.232 1.00 0.00 C ATOM 1043 C ASN A 74 2.912 -12.487 -2.749 1.00 0.00 C ATOM 1044 O ASN A 74 2.311 -13.062 -1.865 1.00 0.00 O ATOM 1045 CB ASN A 74 4.865 -14.119 -2.338 1.00 0.00 C ATOM 1046 CG ASN A 74 4.187 -15.405 -2.790 1.00 0.00 C ATOM 1047 OD1 ASN A 74 4.070 -15.652 -3.970 1.00 0.00 O ATOM 1048 ND2 ASN A 74 3.721 -16.268 -1.950 1.00 0.00 N ATOM 0 H ASN A 74 5.561 -11.434 -4.096 1.00 0.00 H new ATOM 0 HA ASN A 74 4.211 -13.285 -4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.947 -14.201 -2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.659 -13.929 -1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.274 -17.120 -2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.800 -16.098 -0.947 1.00 0.00 H new ATOM 1055 N VAL A 75 2.439 -11.439 -3.363 1.00 0.00 N ATOM 1056 CA VAL A 75 1.078 -10.854 -3.020 1.00 0.00 C ATOM 1057 C VAL A 75 0.155 -10.814 -4.254 1.00 0.00 C ATOM 1058 O VAL A 75 -0.879 -10.179 -4.248 1.00 0.00 O ATOM 1059 CB VAL A 75 1.341 -9.418 -2.398 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.337 -8.738 -3.273 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.181 -8.458 -2.271 1.00 0.00 C ATOM 0 H VAL A 75 2.935 -10.943 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 75 0.551 -11.477 -2.297 1.00 0.00 H new ATOM 0 HB VAL A 75 1.644 -9.632 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.547 -7.743 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.258 -9.321 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.935 -8.652 -4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.528 -7.524 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.236 -8.259 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.587 -8.898 -1.635 1.00 0.00 H new ATOM 1071 N ASN A 76 0.574 -11.521 -5.268 1.00 0.00 N ATOM 1072 CA ASN A 76 -0.151 -11.652 -6.581 1.00 0.00 C ATOM 1073 C ASN A 76 -1.473 -10.857 -6.858 1.00 0.00 C ATOM 1074 O ASN A 76 -2.529 -11.440 -6.998 1.00 0.00 O ATOM 1075 CB ASN A 76 -0.371 -13.173 -6.729 1.00 0.00 C ATOM 1076 CG ASN A 76 -1.121 -13.758 -5.524 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -1.746 -13.013 -4.673 1.00 0.00 O flip ATOM 1078 ND2 ASN A 76 -1.158 -14.950 -5.328 1.00 0.00 N flip ATOM 0 H ASN A 76 1.446 -12.049 -5.242 1.00 0.00 H new ATOM 0 HA ASN A 76 0.477 -11.165 -7.327 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.935 -13.372 -7.640 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.593 -13.671 -6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.683 -15.587 -5.967 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.665 -15.319 -4.523 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.406 -9.556 -6.922 1.00 0.00 N ATOM 1086 CA VAL A 77 -2.639 -8.732 -7.193 1.00 0.00 C ATOM 1087 C VAL A 77 -2.379 -7.590 -8.225 1.00 0.00 C ATOM 1088 O VAL A 77 -1.293 -7.041 -8.219 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.100 -8.178 -5.845 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.085 -7.199 -5.266 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -4.464 -7.511 -5.976 1.00 0.00 C ATOM 0 H VAL A 77 -0.549 -9.017 -6.799 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.412 -9.352 -7.647 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.185 -9.018 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.446 -6.825 -4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.131 -7.707 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.951 -6.364 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.774 -7.123 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.401 -6.691 -6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.194 -8.241 -6.325 1.00 0.00 H new ATOM 1101 N PRO A 78 -3.328 -7.246 -9.081 1.00 0.00 N ATOM 1102 CA PRO A 78 -3.136 -6.158 -10.093 1.00 0.00 C ATOM 1103 C PRO A 78 -3.138 -4.725 -9.524 1.00 0.00 C ATOM 1104 O PRO A 78 -2.445 -3.879 -10.052 1.00 0.00 O ATOM 1105 CB PRO A 78 -4.267 -6.398 -11.110 1.00 0.00 C ATOM 1106 CG PRO A 78 -4.789 -7.822 -10.768 1.00 0.00 C ATOM 1107 CD PRO A 78 -4.676 -7.865 -9.241 1.00 0.00 C ATOM 0 HA PRO A 78 -2.141 -6.213 -10.535 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.055 -5.651 -11.014 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.900 -6.344 -12.135 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.816 -7.968 -11.102 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.187 -8.598 -11.241 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.461 -7.294 -8.746 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.722 -8.880 -8.845 1.00 0.00 H new ATOM 1115 N TYR A 79 -3.909 -4.509 -8.490 1.00 0.00 N ATOM 1116 CA TYR A 79 -4.054 -3.180 -7.784 1.00 0.00 C ATOM 1117 C TYR A 79 -3.362 -1.912 -8.422 1.00 0.00 C ATOM 1118 O TYR A 79 -2.560 -1.199 -7.859 1.00 0.00 O ATOM 1119 CB TYR A 79 -3.586 -3.518 -6.335 1.00 0.00 C ATOM 1120 CG TYR A 79 -3.257 -2.278 -5.548 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.318 -1.564 -5.134 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -1.983 -1.838 -5.288 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.169 -0.392 -4.465 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -1.807 -0.659 -4.605 1.00 0.00 C ATOM 1125 CZ TYR A 79 -2.894 0.075 -4.192 1.00 0.00 C ATOM 1126 OH TYR A 79 -2.681 1.263 -3.535 1.00 0.00 O ATOM 0 H TYR A 79 -4.483 -5.243 -8.075 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.080 -2.820 -7.855 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.369 -4.077 -5.822 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.709 -4.164 -6.378 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.313 -1.931 -5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.129 -2.412 -5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.035 0.170 -4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.809 -0.307 -4.391 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.415 1.882 -3.732 1.00 0.00 H new ATOM 1136 N THR A 80 -3.723 -1.654 -9.641 1.00 0.00 N ATOM 1137 CA THR A 80 -3.186 -0.490 -10.439 1.00 0.00 C ATOM 1138 C THR A 80 -1.678 -0.533 -10.793 1.00 0.00 C ATOM 1139 O THR A 80 -1.294 -0.645 -11.940 1.00 0.00 O ATOM 1140 CB THR A 80 -3.317 0.923 -9.744 1.00 0.00 C ATOM 1141 OG1 THR A 80 -4.664 1.237 -9.471 1.00 0.00 O ATOM 1142 CG2 THR A 80 -3.053 1.984 -10.785 1.00 0.00 C ATOM 0 H THR A 80 -4.399 -2.221 -10.152 1.00 0.00 H new ATOM 0 HA THR A 80 -3.821 -0.604 -11.318 1.00 0.00 H new ATOM 0 HB THR A 80 -2.666 0.894 -8.870 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.246 0.561 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.138 2.970 -10.329 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.049 1.856 -11.189 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.782 1.893 -11.590 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.902 -0.438 -9.738 1.00 0.00 N ATOM 1151 CA ILE A 81 0.598 -0.424 -9.718 1.00 0.00 C ATOM 1152 C ILE A 81 1.097 0.793 -10.534 1.00 0.00 C ATOM 1153 O ILE A 81 1.907 0.712 -11.437 1.00 0.00 O ATOM 1154 CB ILE A 81 1.083 -1.785 -10.288 1.00 0.00 C ATOM 1155 CG1 ILE A 81 0.583 -2.970 -9.410 1.00 0.00 C ATOM 1156 CG2 ILE A 81 2.662 -1.822 -10.319 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.356 -3.092 -8.063 1.00 0.00 C ATOM 0 H ILE A 81 -1.294 -0.362 -8.800 1.00 0.00 H new ATOM 0 HA ILE A 81 1.003 -0.314 -8.712 1.00 0.00 H new ATOM 0 HB ILE A 81 0.678 -1.887 -11.295 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.479 -2.840 -9.203 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.688 -3.900 -9.969 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.996 -2.779 -10.720 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.033 -1.015 -10.951 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.049 -1.697 -9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.964 -3.935 -7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.415 -3.251 -8.265 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.230 -2.175 -7.487 1.00 0.00 H new ATOM 1169 N SER A 82 0.578 1.947 -10.205 1.00 0.00 N ATOM 1170 CA SER A 82 1.014 3.178 -10.943 1.00 0.00 C ATOM 1171 C SER A 82 1.125 4.357 -9.989 1.00 0.00 C ATOM 1172 O SER A 82 0.448 4.356 -8.977 1.00 0.00 O ATOM 1173 CB SER A 82 -0.004 3.494 -12.055 1.00 0.00 C ATOM 1174 OG SER A 82 0.116 2.378 -12.935 1.00 0.00 O ATOM 0 H SER A 82 -0.116 2.094 -9.472 1.00 0.00 H new ATOM 0 HA SER A 82 1.994 3.000 -11.386 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.015 3.588 -11.660 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.229 4.431 -12.560 1.00 0.00 H new ATOM 0 HG SER A 82 -0.503 2.486 -13.687 1.00 0.00 H new ATOM 1180 N PRO A 83 1.958 5.330 -10.323 1.00 0.00 N ATOM 1181 CA PRO A 83 2.126 6.583 -9.509 1.00 0.00 C ATOM 1182 C PRO A 83 0.757 7.248 -9.356 1.00 0.00 C ATOM 1183 O PRO A 83 0.271 7.592 -8.292 1.00 0.00 O ATOM 1184 CB PRO A 83 3.153 7.409 -10.314 1.00 0.00 C ATOM 1185 CG PRO A 83 2.997 6.865 -11.763 1.00 0.00 C ATOM 1186 CD PRO A 83 2.826 5.356 -11.542 1.00 0.00 C ATOM 0 HA PRO A 83 2.487 6.439 -8.491 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.940 8.477 -10.261 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.166 7.267 -9.938 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.135 7.300 -12.268 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.871 7.088 -12.375 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.352 4.868 -12.394 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.780 4.855 -11.377 1.00 0.00 H new ATOM 1194 N ASP A 84 0.169 7.388 -10.504 1.00 0.00 N ATOM 1195 CA ASP A 84 -1.168 7.995 -10.663 1.00 0.00 C ATOM 1196 C ASP A 84 -2.169 6.866 -10.388 1.00 0.00 C ATOM 1197 O ASP A 84 -2.959 6.409 -11.190 1.00 0.00 O ATOM 1198 CB ASP A 84 -1.242 8.556 -12.111 1.00 0.00 C ATOM 1199 CG ASP A 84 -0.742 7.627 -13.227 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -0.169 6.582 -12.971 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -0.966 8.056 -14.337 1.00 0.00 O ATOM 0 H ASP A 84 0.588 7.088 -11.384 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.383 8.821 -9.986 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -2.278 8.819 -12.323 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.664 9.479 -12.150 1.00 0.00 H new ATOM 1206 N ILE A 85 -2.093 6.414 -9.168 1.00 0.00 N ATOM 1207 CA ILE A 85 -3.008 5.323 -8.782 1.00 0.00 C ATOM 1208 C ILE A 85 -4.314 6.068 -8.591 1.00 0.00 C ATOM 1209 O ILE A 85 -4.375 6.936 -7.754 1.00 0.00 O ATOM 1210 CB ILE A 85 -2.434 4.668 -7.502 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.482 3.665 -7.041 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -2.096 5.688 -6.372 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -2.853 2.736 -6.011 1.00 0.00 C ATOM 0 H ILE A 85 -1.454 6.745 -8.445 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.140 4.501 -9.485 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.479 4.194 -7.730 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.337 4.185 -6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.854 3.091 -7.890 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.699 5.155 -5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.352 6.398 -6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.000 6.224 -6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.595 2.012 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.012 2.210 -6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.502 3.320 -5.160 1.00 0.00 H new ATOM 1225 N ASP A 86 -5.314 5.747 -9.367 1.00 0.00 N ATOM 1226 CA ASP A 86 -6.641 6.457 -9.245 1.00 0.00 C ATOM 1227 C ASP A 86 -7.787 5.826 -8.471 1.00 0.00 C ATOM 1228 O ASP A 86 -8.909 6.288 -8.577 1.00 0.00 O ATOM 1229 CB ASP A 86 -7.112 6.766 -10.677 1.00 0.00 C ATOM 1230 CG ASP A 86 -6.197 7.719 -11.415 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -5.501 8.482 -10.755 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -6.313 7.581 -12.622 1.00 0.00 O ATOM 0 H ASP A 86 -5.279 5.023 -10.085 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.414 7.317 -8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.183 5.834 -11.238 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.114 7.192 -10.638 1.00 0.00 H new ATOM 1237 N CYS A 87 -7.506 4.791 -7.737 1.00 0.00 N ATOM 1238 CA CYS A 87 -8.575 4.119 -6.928 1.00 0.00 C ATOM 1239 C CYS A 87 -9.613 3.344 -7.779 1.00 0.00 C ATOM 1240 O CYS A 87 -10.109 2.305 -7.399 1.00 0.00 O ATOM 1241 CB CYS A 87 -9.234 5.257 -6.063 1.00 0.00 C ATOM 1242 SG CYS A 87 -8.166 6.554 -5.380 1.00 0.00 S ATOM 0 H CYS A 87 -6.579 4.373 -7.657 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.139 3.340 -6.302 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.993 5.742 -6.676 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.753 4.782 -5.230 1.00 0.00 H new ATOM 1247 N SER A 88 -9.913 3.873 -8.933 1.00 0.00 N ATOM 1248 CA SER A 88 -10.907 3.235 -9.861 1.00 0.00 C ATOM 1249 C SER A 88 -10.362 2.045 -10.660 1.00 0.00 C ATOM 1250 O SER A 88 -11.142 1.318 -11.244 1.00 0.00 O ATOM 1251 CB SER A 88 -11.414 4.313 -10.821 1.00 0.00 C ATOM 1252 OG SER A 88 -12.358 3.638 -11.646 1.00 0.00 O ATOM 0 H SER A 88 -9.505 4.739 -9.285 1.00 0.00 H new ATOM 0 HA SER A 88 -11.705 2.824 -9.243 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.877 5.139 -10.282 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.600 4.734 -11.411 1.00 0.00 H new ATOM 0 HG SER A 88 -12.357 2.682 -11.430 1.00 0.00 H new ATOM 1258 N ARG A 89 -9.060 1.877 -10.685 1.00 0.00 N ATOM 1259 CA ARG A 89 -8.438 0.727 -11.430 1.00 0.00 C ATOM 1260 C ARG A 89 -7.636 -0.107 -10.389 1.00 0.00 C ATOM 1261 O ARG A 89 -6.460 -0.408 -10.483 1.00 0.00 O ATOM 1262 CB ARG A 89 -7.515 1.284 -12.583 1.00 0.00 C ATOM 1263 CG ARG A 89 -6.429 2.272 -12.123 1.00 0.00 C ATOM 1264 CD ARG A 89 -6.857 3.733 -12.297 1.00 0.00 C ATOM 1265 NE ARG A 89 -6.932 4.061 -13.770 1.00 0.00 N ATOM 1266 CZ ARG A 89 -7.937 4.647 -14.314 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -7.984 5.903 -14.144 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -8.800 3.975 -14.974 1.00 0.00 N ATOM 0 H ARG A 89 -8.393 2.492 -10.218 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.188 0.093 -11.903 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.033 0.443 -13.081 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.143 1.777 -13.325 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.194 2.087 -11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.516 2.094 -12.690 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.826 3.898 -11.826 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.145 4.394 -11.802 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.143 3.804 -14.363 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.255 6.373 -13.607 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.751 6.443 -14.544 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.694 2.965 -15.072 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -9.595 4.448 -15.403 1.00 0.00 H new ATOM 1282 N ILE A 90 -8.380 -0.459 -9.380 1.00 0.00 N ATOM 1283 CA ILE A 90 -7.836 -1.267 -8.242 1.00 0.00 C ATOM 1284 C ILE A 90 -8.421 -2.649 -8.096 1.00 0.00 C ATOM 1285 O ILE A 90 -9.438 -3.005 -8.664 1.00 0.00 O ATOM 1286 CB ILE A 90 -8.064 -0.523 -6.903 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -6.669 -0.315 -6.329 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -8.967 -1.250 -5.842 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -6.065 0.984 -6.705 1.00 0.00 C ATOM 0 H ILE A 90 -9.367 -0.217 -9.290 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.779 -1.388 -8.479 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.618 0.391 -7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.718 -0.383 -5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.020 -1.121 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.051 -0.630 -4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.959 -1.417 -6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.519 -2.208 -5.578 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.072 1.065 -6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.985 1.047 -7.790 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.693 1.797 -6.340 1.00 0.00 H new ATOM 1301 N TYR A 91 -7.691 -3.342 -7.277 1.00 0.00 N ATOM 1302 CA TYR A 91 -8.020 -4.723 -6.935 1.00 0.00 C ATOM 1303 C TYR A 91 -7.644 -4.894 -5.436 1.00 0.00 C ATOM 1304 O TYR A 91 -7.138 -3.937 -4.869 1.00 0.00 O ATOM 1305 CB TYR A 91 -7.191 -5.675 -7.822 1.00 0.00 C ATOM 1306 CG TYR A 91 -7.267 -5.355 -9.331 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -6.739 -4.183 -9.834 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -7.850 -6.238 -10.213 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -6.788 -3.895 -11.177 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -7.897 -5.948 -11.564 1.00 0.00 C ATOM 1311 CZ TYR A 91 -7.365 -4.777 -12.040 1.00 0.00 C ATOM 1312 OH TYR A 91 -7.400 -4.499 -13.384 1.00 0.00 O ATOM 1313 OXT TYR A 91 -7.870 -5.961 -4.904 1.00 0.00 O ATOM 0 H TYR A 91 -6.852 -2.984 -6.821 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.073 -4.952 -7.097 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.149 -5.635 -7.505 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.534 -6.697 -7.660 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.278 -3.478 -9.158 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -8.273 -7.162 -9.847 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.370 -2.971 -11.548 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.355 -6.647 -12.248 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.845 -5.232 -13.858 1.00 0.00 H new