USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 667 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 79 HIS : no HD1:sc= -1.48 K(o=-3.8,f=-5.5!) USER MOD Set 1.2: B 9 ASN : amide:sc= -2.36 K(o=-3.8,f=-9.8!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 52 ASN :FLIP amide:sc= -5.03! C(o=-5.5!,f=-5!) USER MOD Single : A 8 THR OG1 : rot -40:sc= 0.0218 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 160:sc= -0.0754 (180deg=-0.213) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.109 F(o=-1.4,f=-0.11) USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.3 K(o=-1.3,f=-4.5!) USER MOD Single : A 23 MET CE :methyl 168:sc= -0.0088 (180deg=-0.207) USER MOD Single : A 33 GLN : amide:sc= 0.137 K(o=0.14,f=-2.2!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -4.94! C(o=-6.3!,f=-4.9!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.458! USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 1.21 (180deg=0.801) USER MOD Single : A 44 THR OG1 : rot 90:sc= -4.02 USER MOD Single : A 46 MET CE :methyl -149:sc= -0.611 (180deg=-4.13!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc=-0.00309 X(o=-0.0031,f=-0.35) USER MOD Single : A 58 MET CE :methyl -142:sc= -6! (180deg=-8.01!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.09 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 94:sc= 1.17 USER MOD Single : A 68 LYS NZ :NH3+ -141:sc= 1.02 (180deg=-0.425) USER MOD Single : A 77 GLN : amide:sc= -1.57 K(o=-1.6,f=-4.8!) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 71:sc= -2.73! USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 81:sc= -2.6! USER MOD Single : B 18 TYR OH : rot 180:sc= -0.839 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.370 -7.823 -12.129 1.00 0.00 N ATOM 95 CA THR A 8 -4.215 -6.685 -11.796 1.00 0.00 C ATOM 96 C THR A 8 -5.277 -6.475 -12.858 1.00 0.00 C ATOM 97 O THR A 8 -6.396 -6.066 -12.550 1.00 0.00 O ATOM 98 CB THR A 8 -3.365 -5.422 -11.656 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.783 -5.070 -12.899 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.243 -5.563 -10.649 1.00 0.00 C ATOM 0 HA THR A 8 -4.709 -6.892 -10.847 1.00 0.00 H new ATOM 0 HB THR A 8 -4.051 -4.650 -11.306 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.489 -5.881 -13.364 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.680 -4.631 -10.599 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.661 -5.787 -9.668 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.580 -6.372 -10.954 1.00 0.00 H new ATOM 108 N ALA A 9 -4.946 -6.795 -14.102 1.00 0.00 N ATOM 109 CA ALA A 9 -5.912 -6.675 -15.178 1.00 0.00 C ATOM 110 C ALA A 9 -7.110 -7.559 -14.859 1.00 0.00 C ATOM 111 O ALA A 9 -8.217 -7.071 -14.627 1.00 0.00 O ATOM 112 CB ALA A 9 -5.288 -7.067 -16.510 1.00 0.00 C ATOM 0 H ALA A 9 -4.027 -7.135 -14.386 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.237 -5.638 -15.264 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.030 -6.969 -17.302 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.443 -6.413 -16.722 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.944 -8.100 -16.461 1.00 0.00 H new ATOM 118 N SER A 10 -6.879 -8.868 -14.868 1.00 0.00 N ATOM 119 CA SER A 10 -7.934 -9.837 -14.601 1.00 0.00 C ATOM 120 C SER A 10 -8.590 -9.610 -13.242 1.00 0.00 C ATOM 121 O SER A 10 -9.740 -9.999 -13.040 1.00 0.00 O ATOM 122 CB SER A 10 -7.371 -11.257 -14.670 1.00 0.00 C ATOM 123 OG SER A 10 -8.337 -12.209 -14.261 1.00 0.00 O ATOM 0 H SER A 10 -5.967 -9.282 -15.058 1.00 0.00 H new ATOM 0 HA SER A 10 -8.699 -9.704 -15.366 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.050 -11.475 -15.688 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.489 -11.333 -14.034 1.00 0.00 H new ATOM 0 HG SER A 10 -7.953 -13.109 -14.316 1.00 0.00 H new ATOM 129 N MET A 11 -7.881 -8.972 -12.310 1.00 0.00 N ATOM 130 CA MET A 11 -8.453 -8.723 -10.992 1.00 0.00 C ATOM 131 C MET A 11 -9.672 -7.828 -11.134 1.00 0.00 C ATOM 132 O MET A 11 -10.724 -8.087 -10.549 1.00 0.00 O ATOM 133 CB MET A 11 -7.419 -8.068 -10.070 1.00 0.00 C ATOM 134 CG MET A 11 -6.994 -8.955 -8.911 1.00 0.00 C ATOM 135 SD MET A 11 -7.630 -8.382 -7.323 1.00 0.00 S ATOM 136 CE MET A 11 -6.123 -7.807 -6.540 1.00 0.00 C ATOM 0 H MET A 11 -6.930 -8.626 -12.441 1.00 0.00 H new ATOM 0 HA MET A 11 -8.750 -9.673 -10.548 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.539 -7.801 -10.655 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.832 -7.140 -9.675 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.342 -9.972 -9.091 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.905 -8.993 -8.869 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.372 -7.118 -5.733 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.576 -8.658 -6.134 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.503 -7.295 -7.276 1.00 0.00 H new ATOM 146 N LEU A 12 -9.523 -6.791 -11.935 1.00 0.00 N ATOM 147 CA LEU A 12 -10.606 -5.856 -12.195 1.00 0.00 C ATOM 148 C LEU A 12 -11.833 -6.600 -12.719 1.00 0.00 C ATOM 149 O LEU A 12 -12.907 -6.555 -12.118 1.00 0.00 O ATOM 150 CB LEU A 12 -10.148 -4.801 -13.211 1.00 0.00 C ATOM 151 CG LEU A 12 -10.531 -3.350 -12.898 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.862 -3.003 -13.543 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.584 -3.108 -11.397 1.00 0.00 C ATOM 0 H LEU A 12 -8.654 -6.571 -12.422 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.876 -5.357 -11.264 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.063 -4.858 -13.299 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.561 -5.062 -14.186 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.762 -2.700 -13.314 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.120 -1.970 -13.312 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.785 -3.125 -14.623 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.637 -3.666 -13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.858 -2.071 -11.205 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.326 -3.768 -10.948 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.606 -3.311 -10.961 1.00 0.00 H new ATOM 165 N ALA A 13 -11.655 -7.301 -13.835 1.00 0.00 N ATOM 166 CA ALA A 13 -12.732 -8.079 -14.441 1.00 0.00 C ATOM 167 C ALA A 13 -13.075 -9.323 -13.615 1.00 0.00 C ATOM 168 O ALA A 13 -13.873 -10.159 -14.041 1.00 0.00 O ATOM 169 CB ALA A 13 -12.345 -8.480 -15.849 1.00 0.00 C ATOM 0 H ALA A 13 -10.770 -7.346 -14.341 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.622 -7.450 -14.469 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.152 -9.060 -16.297 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.167 -7.586 -16.446 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.438 -9.083 -15.819 1.00 0.00 H new ATOM 175 N SER A 14 -12.490 -9.428 -12.426 1.00 0.00 N ATOM 176 CA SER A 14 -12.757 -10.556 -11.536 1.00 0.00 C ATOM 177 C SER A 14 -13.730 -10.167 -10.424 1.00 0.00 C ATOM 178 O SER A 14 -13.959 -10.942 -9.496 1.00 0.00 O ATOM 179 CB SER A 14 -11.462 -11.087 -10.919 1.00 0.00 C ATOM 180 OG SER A 14 -11.454 -12.504 -10.894 1.00 0.00 O ATOM 0 H SER A 14 -11.828 -8.747 -12.055 1.00 0.00 H new ATOM 0 HA SER A 14 -13.211 -11.342 -12.140 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.608 -10.725 -11.491 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.353 -10.701 -9.905 1.00 0.00 H new ATOM 0 HG SER A 14 -10.616 -12.819 -10.497 1.00 0.00 H new ATOM 186 N ALA A 15 -14.304 -8.968 -10.514 1.00 0.00 N ATOM 187 CA ALA A 15 -15.246 -8.498 -9.506 1.00 0.00 C ATOM 188 C ALA A 15 -16.451 -7.825 -10.158 1.00 0.00 C ATOM 189 O ALA A 15 -16.341 -7.276 -11.254 1.00 0.00 O ATOM 190 CB ALA A 15 -14.552 -7.542 -8.558 1.00 0.00 C ATOM 0 H ALA A 15 -14.132 -8.308 -11.273 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.607 -9.357 -8.941 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.262 -7.195 -7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.725 -8.054 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.169 -6.689 -9.118 1.00 0.00 H new ATOM 196 N PRO A 16 -17.625 -7.872 -9.494 1.00 0.00 N ATOM 197 CA PRO A 16 -18.853 -7.277 -10.010 1.00 0.00 C ATOM 198 C PRO A 16 -18.614 -5.924 -10.681 1.00 0.00 C ATOM 199 O PRO A 16 -17.515 -5.375 -10.623 1.00 0.00 O ATOM 200 CB PRO A 16 -19.737 -7.100 -8.769 1.00 0.00 C ATOM 201 CG PRO A 16 -19.081 -7.863 -7.654 1.00 0.00 C ATOM 202 CD PRO A 16 -17.846 -8.528 -8.202 1.00 0.00 C ATOM 0 HA PRO A 16 -19.301 -7.906 -10.779 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.833 -6.045 -8.511 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.743 -7.476 -8.955 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.820 -7.192 -6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.766 -8.608 -7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.993 -8.394 -7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.992 -9.602 -8.321 1.00 0.00 H new ATOM 210 N PRO A 17 -19.645 -5.373 -11.335 1.00 0.00 N ATOM 211 CA PRO A 17 -19.537 -4.090 -12.027 1.00 0.00 C ATOM 212 C PRO A 17 -18.908 -2.990 -11.173 1.00 0.00 C ATOM 213 O PRO A 17 -17.808 -2.535 -11.461 1.00 0.00 O ATOM 214 CB PRO A 17 -20.983 -3.741 -12.360 1.00 0.00 C ATOM 215 CG PRO A 17 -21.698 -5.047 -12.420 1.00 0.00 C ATOM 216 CD PRO A 17 -20.993 -5.962 -11.457 1.00 0.00 C ATOM 0 HA PRO A 17 -18.884 -4.166 -12.897 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.416 -3.090 -11.600 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.051 -3.211 -13.310 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.746 -4.929 -12.146 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.676 -5.455 -13.430 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.502 -5.999 -10.494 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.951 -6.984 -11.834 1.00 0.00 H new ATOM 224 N GLN A 18 -19.617 -2.555 -10.137 1.00 0.00 N ATOM 225 CA GLN A 18 -19.127 -1.495 -9.259 1.00 0.00 C ATOM 226 C GLN A 18 -17.960 -1.970 -8.406 1.00 0.00 C ATOM 227 O GLN A 18 -17.293 -1.165 -7.757 1.00 0.00 O ATOM 228 CB GLN A 18 -20.258 -0.978 -8.368 1.00 0.00 C ATOM 229 CG GLN A 18 -20.876 -2.050 -7.482 1.00 0.00 C ATOM 230 CD GLN A 18 -22.324 -2.357 -7.830 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.677 -2.243 -9.108 1.00 0.00 O flip ATOM 232 NE2 GLN A 18 -23.120 -2.698 -6.954 1.00 0.00 N flip ATOM 0 H GLN A 18 -20.535 -2.920 -9.883 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.769 -0.681 -9.890 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.875 -0.175 -7.738 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.036 -0.546 -8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.288 -2.964 -7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.820 -1.729 -6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -22.810 -2.774 -5.985 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -24.089 -2.905 -7.198 1.00 0.00 H new ATOM 241 N GLU A 19 -17.693 -3.269 -8.426 1.00 0.00 N ATOM 242 CA GLU A 19 -16.580 -3.815 -7.669 1.00 0.00 C ATOM 243 C GLU A 19 -15.325 -3.825 -8.533 1.00 0.00 C ATOM 244 O GLU A 19 -14.526 -4.759 -8.473 1.00 0.00 O ATOM 245 CB GLU A 19 -16.897 -5.229 -7.177 1.00 0.00 C ATOM 246 CG GLU A 19 -17.666 -5.255 -5.867 1.00 0.00 C ATOM 247 CD GLU A 19 -17.231 -6.389 -4.960 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.035 -6.440 -4.602 1.00 0.00 O ATOM 249 OE2 GLU A 19 -18.087 -7.229 -4.608 1.00 0.00 O ATOM 0 H GLU A 19 -18.228 -3.958 -8.954 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.410 -3.184 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.476 -5.750 -7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.965 -5.780 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.527 -4.306 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.731 -5.350 -6.077 1.00 0.00 H new ATOM 256 N GLN A 20 -15.132 -2.750 -9.298 1.00 0.00 N ATOM 257 CA GLN A 20 -13.937 -2.614 -10.124 1.00 0.00 C ATOM 258 C GLN A 20 -12.721 -2.372 -9.236 1.00 0.00 C ATOM 259 O GLN A 20 -11.958 -3.286 -8.927 1.00 0.00 O ATOM 260 CB GLN A 20 -14.067 -1.489 -11.166 1.00 0.00 C ATOM 261 CG GLN A 20 -15.493 -1.106 -11.509 1.00 0.00 C ATOM 262 CD GLN A 20 -15.585 -0.257 -12.766 1.00 0.00 C ATOM 263 OE1 GLN A 20 -14.514 0.472 -13.080 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -16.608 -0.254 -13.449 1.00 0.00 N flip ATOM 0 H GLN A 20 -15.783 -1.968 -9.361 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.813 -3.546 -10.675 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.547 -0.606 -10.794 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.558 -1.797 -12.079 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.086 -2.011 -11.642 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.929 -0.559 -10.673 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.406 -0.826 -13.174 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -16.658 0.321 -14.290 1.00 0.00 H new ATOM 273 N LYS A 21 -12.566 -1.114 -8.819 1.00 0.00 N ATOM 274 CA LYS A 21 -11.467 -0.703 -7.948 1.00 0.00 C ATOM 275 C LYS A 21 -11.753 -1.068 -6.492 1.00 0.00 C ATOM 276 O LYS A 21 -11.123 -0.537 -5.578 1.00 0.00 O ATOM 277 CB LYS A 21 -11.218 0.804 -8.072 1.00 0.00 C ATOM 278 CG LYS A 21 -11.728 1.407 -9.371 1.00 0.00 C ATOM 279 CD LYS A 21 -10.702 2.333 -10.007 1.00 0.00 C ATOM 280 CE LYS A 21 -9.643 1.550 -10.765 1.00 0.00 C ATOM 281 NZ LYS A 21 -8.938 2.392 -11.773 1.00 0.00 N ATOM 0 H LYS A 21 -13.197 -0.355 -9.075 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.572 -1.237 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.697 1.312 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.148 0.994 -7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.978 0.608 -10.069 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.647 1.961 -9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.203 3.022 -10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.227 2.937 -9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.917 1.146 -10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.109 0.701 -11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.225 1.818 -12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.626 2.757 -12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.471 3.189 -11.294 1.00 0.00 H new ATOM 295 N GLN A 22 -12.704 -1.973 -6.279 1.00 0.00 N ATOM 296 CA GLN A 22 -13.071 -2.393 -4.931 1.00 0.00 C ATOM 297 C GLN A 22 -11.925 -3.110 -4.242 1.00 0.00 C ATOM 298 O GLN A 22 -11.405 -2.635 -3.232 1.00 0.00 O ATOM 299 CB GLN A 22 -14.303 -3.297 -4.969 1.00 0.00 C ATOM 300 CG GLN A 22 -15.394 -2.868 -4.002 1.00 0.00 C ATOM 301 CD GLN A 22 -15.765 -3.954 -3.011 1.00 0.00 C ATOM 302 OE1 GLN A 22 -15.043 -4.938 -2.852 1.00 0.00 O ATOM 303 NE2 GLN A 22 -16.896 -3.779 -2.339 1.00 0.00 N ATOM 0 H GLN A 22 -13.234 -2.429 -7.022 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.303 -1.495 -4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.707 -3.306 -5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.003 -4.319 -4.737 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.063 -1.984 -3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.281 -2.580 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -17.463 -2.947 -2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -17.198 -4.476 -1.658 1.00 0.00 H new ATOM 312 N MET A 23 -11.525 -4.253 -4.785 1.00 0.00 N ATOM 313 CA MET A 23 -10.437 -5.011 -4.201 1.00 0.00 C ATOM 314 C MET A 23 -9.168 -4.161 -4.159 1.00 0.00 C ATOM 315 O MET A 23 -8.927 -3.457 -3.182 1.00 0.00 O ATOM 316 CB MET A 23 -10.212 -6.311 -4.984 1.00 0.00 C ATOM 317 CG MET A 23 -11.495 -7.076 -5.272 1.00 0.00 C ATOM 318 SD MET A 23 -11.642 -8.587 -4.298 1.00 0.00 S ATOM 319 CE MET A 23 -11.569 -7.929 -2.635 1.00 0.00 C ATOM 0 H MET A 23 -11.936 -4.669 -5.621 1.00 0.00 H new ATOM 0 HA MET A 23 -10.698 -5.279 -3.177 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.719 -6.077 -5.927 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.535 -6.953 -4.420 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.350 -6.432 -5.067 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.533 -7.327 -6.332 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.858 -8.703 -1.924 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.553 -7.599 -2.419 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.251 -7.084 -2.548 1.00 0.00 H new ATOM 329 N LEU A 24 -8.363 -4.229 -5.217 1.00 0.00 N ATOM 330 CA LEU A 24 -7.122 -3.464 -5.303 1.00 0.00 C ATOM 331 C LEU A 24 -7.357 -1.948 -5.307 1.00 0.00 C ATOM 332 O LEU A 24 -6.919 -1.264 -6.231 1.00 0.00 O ATOM 333 CB LEU A 24 -6.341 -3.871 -6.559 1.00 0.00 C ATOM 334 CG LEU A 24 -7.167 -4.099 -7.825 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.954 -2.849 -8.190 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.252 -4.520 -8.966 1.00 0.00 C ATOM 0 H LEU A 24 -8.551 -4.811 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.543 -3.697 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.601 -3.098 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.792 -4.787 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.885 -4.898 -7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.534 -3.035 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.628 -2.592 -7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.265 -2.023 -8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.844 -4.682 -9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.517 -3.737 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.739 -5.444 -8.699 1.00 0.00 H new ATOM 348 N GLY A 25 -8.024 -1.417 -4.270 1.00 0.00 N ATOM 349 CA GLY A 25 -8.277 0.017 -4.190 1.00 0.00 C ATOM 350 C GLY A 25 -8.400 0.674 -5.551 1.00 0.00 C ATOM 351 O GLY A 25 -8.878 0.056 -6.502 1.00 0.00 O ATOM 0 H GLY A 25 -8.391 -1.958 -3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.194 0.188 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.468 0.493 -3.635 1.00 0.00 H new ATOM 355 N GLU A 26 -7.949 1.918 -5.656 1.00 0.00 N ATOM 356 CA GLU A 26 -7.995 2.622 -6.928 1.00 0.00 C ATOM 357 C GLU A 26 -6.916 2.071 -7.862 1.00 0.00 C ATOM 358 O GLU A 26 -7.193 1.244 -8.727 1.00 0.00 O ATOM 359 CB GLU A 26 -7.862 4.155 -6.770 1.00 0.00 C ATOM 360 CG GLU A 26 -7.652 4.657 -5.340 1.00 0.00 C ATOM 361 CD GLU A 26 -8.346 5.978 -5.063 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.067 6.960 -5.777 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.178 6.025 -4.134 1.00 0.00 O ATOM 0 H GLU A 26 -7.552 2.454 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.978 2.447 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.026 4.494 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.761 4.623 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.020 3.907 -4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.584 4.769 -5.154 1.00 0.00 H new ATOM 370 N ARG A 27 -5.686 2.552 -7.689 1.00 0.00 N ATOM 371 CA ARG A 27 -4.577 2.113 -8.541 1.00 0.00 C ATOM 372 C ARG A 27 -3.225 2.086 -7.816 1.00 0.00 C ATOM 373 O ARG A 27 -2.183 1.962 -8.461 1.00 0.00 O ATOM 374 CB ARG A 27 -4.477 3.018 -9.772 1.00 0.00 C ATOM 375 CG ARG A 27 -5.260 2.510 -10.974 1.00 0.00 C ATOM 376 CD ARG A 27 -4.854 1.099 -11.363 1.00 0.00 C ATOM 377 NE ARG A 27 -3.404 0.952 -11.476 1.00 0.00 N ATOM 378 CZ ARG A 27 -2.790 0.346 -12.494 1.00 0.00 C ATOM 379 NH1 ARG A 27 -3.488 -0.134 -13.517 1.00 0.00 N ATOM 380 NH2 ARG A 27 -1.471 0.224 -12.490 1.00 0.00 N ATOM 0 H ARG A 27 -5.432 3.237 -6.977 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.800 1.087 -8.835 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.837 4.013 -9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.428 3.122 -10.051 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.326 2.531 -10.747 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.101 3.179 -11.820 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.232 0.396 -10.620 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.319 0.838 -12.314 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.825 1.337 -10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.504 -0.041 -13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.008 -0.595 -14.290 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.927 0.593 -11.710 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.999 -0.239 -13.267 1.00 0.00 H new ATOM 394 N LEU A 28 -3.227 2.184 -6.491 1.00 0.00 N ATOM 395 CA LEU A 28 -1.973 2.156 -5.733 1.00 0.00 C ATOM 396 C LEU A 28 -1.461 0.737 -5.530 1.00 0.00 C ATOM 397 O LEU A 28 -0.258 0.492 -5.593 1.00 0.00 O ATOM 398 CB LEU A 28 -2.143 2.842 -4.384 1.00 0.00 C ATOM 399 CG LEU A 28 -2.754 4.227 -4.482 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.436 4.618 -3.188 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.699 5.251 -4.873 1.00 0.00 C ATOM 0 H LEU A 28 -4.068 2.282 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.233 2.699 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.771 2.221 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.170 2.916 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.515 4.205 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.864 5.615 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.229 3.904 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.707 4.617 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.157 6.238 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.910 5.266 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.273 4.984 -5.840 1.00 0.00 H new ATOM 413 N PHE A 29 -2.372 -0.194 -5.280 1.00 0.00 N ATOM 414 CA PHE A 29 -1.990 -1.582 -5.064 1.00 0.00 C ATOM 415 C PHE A 29 -1.199 -2.119 -6.259 1.00 0.00 C ATOM 416 O PHE A 29 -0.161 -2.757 -6.089 1.00 0.00 O ATOM 417 CB PHE A 29 -3.223 -2.437 -4.782 1.00 0.00 C ATOM 418 CG PHE A 29 -2.929 -3.885 -4.496 1.00 0.00 C ATOM 419 CD1 PHE A 29 -1.712 -4.305 -3.965 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.891 -4.834 -4.776 1.00 0.00 C ATOM 421 CE1 PHE A 29 -1.488 -5.654 -3.729 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.668 -6.168 -4.545 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.465 -6.581 -4.024 1.00 0.00 C ATOM 0 H PHE A 29 -3.374 -0.015 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.341 -1.632 -4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.756 -2.013 -3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.893 -2.378 -5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.943 -3.581 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.840 -4.520 -5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.546 -5.979 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.436 -6.892 -4.772 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.285 -7.631 -3.846 1.00 0.00 H new ATOM 433 N PRO A 30 -1.656 -1.841 -7.492 1.00 0.00 N ATOM 434 CA PRO A 30 -0.948 -2.276 -8.693 1.00 0.00 C ATOM 435 C PRO A 30 0.462 -1.688 -8.736 1.00 0.00 C ATOM 436 O PRO A 30 1.434 -2.395 -9.000 1.00 0.00 O ATOM 437 CB PRO A 30 -1.797 -1.718 -9.847 1.00 0.00 C ATOM 438 CG PRO A 30 -3.125 -1.410 -9.246 1.00 0.00 C ATOM 439 CD PRO A 30 -2.863 -1.067 -7.809 1.00 0.00 C ATOM 0 HA PRO A 30 -0.830 -3.359 -8.738 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.342 -0.824 -10.274 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.890 -2.445 -10.654 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.604 -0.579 -9.764 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.797 -2.265 -9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.702 0.003 -7.674 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.700 -1.347 -7.169 1.00 0.00 H new ATOM 447 N LEU A 31 0.559 -0.381 -8.479 1.00 0.00 N ATOM 448 CA LEU A 31 1.850 0.310 -8.495 1.00 0.00 C ATOM 449 C LEU A 31 2.729 -0.121 -7.317 1.00 0.00 C ATOM 450 O LEU A 31 3.936 -0.344 -7.469 1.00 0.00 O ATOM 451 CB LEU A 31 1.652 1.829 -8.471 1.00 0.00 C ATOM 452 CG LEU A 31 0.559 2.362 -9.404 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.171 3.784 -9.023 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.017 2.312 -10.853 1.00 0.00 C ATOM 0 H LEU A 31 -0.237 0.217 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 31 2.358 0.033 -9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.415 2.132 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.596 2.306 -8.734 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.318 1.723 -9.295 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.606 4.142 -9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.203 3.797 -7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.044 4.432 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.226 2.695 -11.498 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.911 2.924 -10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.243 1.282 -11.128 1.00 0.00 H new ATOM 466 N ILE A 32 2.121 -0.259 -6.144 1.00 0.00 N ATOM 467 CA ILE A 32 2.868 -0.679 -4.969 1.00 0.00 C ATOM 468 C ILE A 32 3.324 -2.119 -5.141 1.00 0.00 C ATOM 469 O ILE A 32 4.492 -2.426 -4.936 1.00 0.00 O ATOM 470 CB ILE A 32 2.061 -0.522 -3.668 1.00 0.00 C ATOM 471 CG1 ILE A 32 3.001 -0.600 -2.460 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.962 -1.567 -3.582 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.390 -2.010 -2.066 1.00 0.00 C ATOM 0 H ILE A 32 1.128 -0.089 -5.984 1.00 0.00 H new ATOM 0 HA ILE A 32 3.735 -0.025 -4.880 1.00 0.00 H new ATOM 0 HB ILE A 32 1.579 0.456 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.906 -0.034 -2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.522 -0.116 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.406 -1.435 -2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.286 -1.454 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.405 -2.563 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.056 -1.976 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.494 -2.577 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.900 -2.493 -2.899 1.00 0.00 H new ATOM 485 N GLN A 33 2.406 -2.994 -5.557 1.00 0.00 N ATOM 486 CA GLN A 33 2.745 -4.393 -5.801 1.00 0.00 C ATOM 487 C GLN A 33 4.083 -4.483 -6.535 1.00 0.00 C ATOM 488 O GLN A 33 4.934 -5.313 -6.216 1.00 0.00 O ATOM 489 CB GLN A 33 1.651 -5.065 -6.637 1.00 0.00 C ATOM 490 CG GLN A 33 0.636 -5.837 -5.810 1.00 0.00 C ATOM 491 CD GLN A 33 0.530 -7.291 -6.231 1.00 0.00 C ATOM 492 OE1 GLN A 33 0.959 -7.667 -7.321 1.00 0.00 O ATOM 493 NE2 GLN A 33 -0.045 -8.119 -5.365 1.00 0.00 N ATOM 0 H GLN A 33 1.429 -2.758 -5.730 1.00 0.00 H new ATOM 0 HA GLN A 33 2.824 -4.907 -4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.130 -4.303 -7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.117 -5.745 -7.350 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.915 -5.786 -4.758 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.341 -5.363 -5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.387 -7.765 -4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.144 -9.108 -5.594 1.00 0.00 H new ATOM 502 N ALA A 34 4.247 -3.608 -7.526 1.00 0.00 N ATOM 503 CA ALA A 34 5.463 -3.556 -8.337 1.00 0.00 C ATOM 504 C ALA A 34 6.694 -3.260 -7.491 1.00 0.00 C ATOM 505 O ALA A 34 7.797 -3.716 -7.794 1.00 0.00 O ATOM 506 CB ALA A 34 5.316 -2.513 -9.435 1.00 0.00 C ATOM 0 H ALA A 34 3.544 -2.918 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 34 5.602 -4.538 -8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.227 -2.483 -10.033 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.472 -2.773 -10.073 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.144 -1.535 -8.987 1.00 0.00 H new ATOM 512 N MET A 35 6.493 -2.491 -6.440 1.00 0.00 N ATOM 513 CA MET A 35 7.590 -2.120 -5.543 1.00 0.00 C ATOM 514 C MET A 35 7.602 -3.003 -4.295 1.00 0.00 C ATOM 515 O MET A 35 8.615 -3.627 -3.978 1.00 0.00 O ATOM 516 CB MET A 35 7.477 -0.648 -5.149 1.00 0.00 C ATOM 517 CG MET A 35 7.328 0.284 -6.340 1.00 0.00 C ATOM 518 SD MET A 35 8.797 0.317 -7.386 1.00 0.00 S ATOM 519 CE MET A 35 9.845 1.443 -6.469 1.00 0.00 C ATOM 0 H MET A 35 5.585 -2.107 -6.179 1.00 0.00 H new ATOM 0 HA MET A 35 8.529 -2.273 -6.075 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.620 -0.521 -4.488 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.363 -0.362 -4.581 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.470 -0.028 -6.935 1.00 0.00 H new ATOM 0 HG3 MET A 35 7.118 1.292 -5.983 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.793 1.565 -6.992 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.351 2.411 -6.382 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.029 1.039 -5.473 1.00 0.00 H new ATOM 529 N HIS A 36 6.469 -3.081 -3.609 1.00 0.00 N ATOM 530 CA HIS A 36 6.349 -3.921 -2.422 1.00 0.00 C ATOM 531 C HIS A 36 7.322 -3.518 -1.322 1.00 0.00 C ATOM 532 O HIS A 36 7.956 -4.375 -0.707 1.00 0.00 O ATOM 533 CB HIS A 36 6.596 -5.382 -2.781 1.00 0.00 C ATOM 534 CG HIS A 36 5.356 -6.107 -3.174 1.00 0.00 C ATOM 535 ND1 HIS A 36 4.077 -5.687 -3.213 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 5.341 -7.424 -3.581 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 3.313 -6.746 -3.636 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 4.099 -7.783 -3.853 1.00 0.00 N flip ATOM 0 H HIS A 36 5.619 -2.573 -3.853 1.00 0.00 H new ATOM 0 HA HIS A 36 5.335 -3.786 -2.047 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.313 -5.432 -3.600 1.00 0.00 H new ATOM 0 HB3 HIS A 36 7.050 -5.887 -1.928 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.208 -8.062 -3.664 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.241 -6.732 -3.770 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.799 -8.703 -4.175 1.00 0.00 H new ATOM 546 N PRO A 37 7.443 -2.223 -1.027 1.00 0.00 N ATOM 547 CA PRO A 37 8.331 -1.779 0.032 1.00 0.00 C ATOM 548 C PRO A 37 7.872 -2.334 1.374 1.00 0.00 C ATOM 549 O PRO A 37 8.483 -3.253 1.920 1.00 0.00 O ATOM 550 CB PRO A 37 8.226 -0.252 -0.005 1.00 0.00 C ATOM 551 CG PRO A 37 6.960 0.044 -0.739 1.00 0.00 C ATOM 552 CD PRO A 37 6.718 -1.114 -1.665 1.00 0.00 C ATOM 0 HA PRO A 37 9.357 -2.121 -0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.202 0.164 1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.085 0.188 -0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.129 0.164 -0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.045 0.976 -1.298 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.655 -1.334 -1.763 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.096 -0.912 -2.667 1.00 0.00 H new ATOM 560 N THR A 38 6.805 -1.756 1.912 1.00 0.00 N ATOM 561 CA THR A 38 6.274 -2.172 3.199 1.00 0.00 C ATOM 562 C THR A 38 5.298 -3.328 3.037 1.00 0.00 C ATOM 563 O THR A 38 5.584 -4.450 3.452 1.00 0.00 O ATOM 564 CB THR A 38 5.591 -0.989 3.895 1.00 0.00 C ATOM 565 OG1 THR A 38 4.295 -0.762 3.368 1.00 0.00 O ATOM 566 CG2 THR A 38 6.368 0.304 3.766 1.00 0.00 C ATOM 0 H THR A 38 6.290 -0.994 1.472 1.00 0.00 H new ATOM 0 HA THR A 38 7.103 -2.515 3.818 1.00 0.00 H new ATOM 0 HB THR A 38 5.540 -1.269 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.882 -0.003 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.833 1.103 4.279 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.354 0.182 4.214 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.477 0.559 2.712 1.00 0.00 H new ATOM 574 N LEU A 39 4.145 -3.053 2.443 1.00 0.00 N ATOM 575 CA LEU A 39 3.142 -4.090 2.253 1.00 0.00 C ATOM 576 C LEU A 39 1.997 -3.626 1.355 1.00 0.00 C ATOM 577 O LEU A 39 1.147 -2.845 1.779 1.00 0.00 O ATOM 578 CB LEU A 39 2.589 -4.514 3.615 1.00 0.00 C ATOM 579 CG LEU A 39 2.153 -5.977 3.729 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.450 -6.220 5.057 1.00 0.00 C ATOM 581 CD2 LEU A 39 1.248 -6.356 2.567 1.00 0.00 C ATOM 0 H LEU A 39 3.883 -2.133 2.089 1.00 0.00 H new ATOM 0 HA LEU A 39 3.624 -4.934 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.350 -4.321 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.735 -3.880 3.853 1.00 0.00 H new ATOM 0 HG LEU A 39 3.042 -6.607 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.146 -7.265 5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.130 -5.988 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.569 -5.581 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.948 -7.399 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.362 -5.721 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.785 -6.219 1.628 1.00 0.00 H new ATOM 593 N ALA A 40 1.954 -4.146 0.128 1.00 0.00 N ATOM 594 CA ALA A 40 0.882 -3.832 -0.826 1.00 0.00 C ATOM 595 C ALA A 40 -0.496 -4.026 -0.188 1.00 0.00 C ATOM 596 O ALA A 40 -0.613 -4.318 1.002 1.00 0.00 O ATOM 597 CB ALA A 40 1.035 -4.707 -2.061 1.00 0.00 C ATOM 0 H ALA A 40 2.655 -4.793 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 40 0.962 -2.785 -1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.241 -4.476 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.003 -4.516 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.971 -5.756 -1.774 1.00 0.00 H new ATOM 603 N GLY A 41 -1.528 -3.870 -1.001 1.00 0.00 N ATOM 604 CA GLY A 41 -2.895 -4.034 -0.540 1.00 0.00 C ATOM 605 C GLY A 41 -3.292 -2.992 0.487 1.00 0.00 C ATOM 606 O GLY A 41 -4.058 -2.076 0.193 1.00 0.00 O ATOM 0 H GLY A 41 -1.443 -3.629 -1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.572 -3.975 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.012 -5.028 -0.108 1.00 0.00 H new ATOM 610 N LYS A 42 -2.773 -3.143 1.696 1.00 0.00 N ATOM 611 CA LYS A 42 -3.077 -2.210 2.778 1.00 0.00 C ATOM 612 C LYS A 42 -2.440 -0.850 2.508 1.00 0.00 C ATOM 613 O LYS A 42 -3.049 0.196 2.747 1.00 0.00 O ATOM 614 CB LYS A 42 -2.600 -2.772 4.119 1.00 0.00 C ATOM 615 CG LYS A 42 -3.658 -2.711 5.207 1.00 0.00 C ATOM 616 CD LYS A 42 -3.471 -1.494 6.098 1.00 0.00 C ATOM 617 CE LYS A 42 -4.255 -1.620 7.394 1.00 0.00 C ATOM 618 NZ LYS A 42 -5.477 -0.768 7.389 1.00 0.00 N ATOM 0 H LYS A 42 -2.140 -3.900 1.955 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.158 -2.078 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.290 -3.808 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.721 -2.217 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.648 -2.681 4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.612 -3.617 5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.412 -1.368 6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.792 -0.599 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.539 -2.661 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.618 -1.337 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.774 -0.582 8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.270 0.133 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.241 -1.260 6.883 1.00 0.00 H new ATOM 632 N ILE A 43 -1.219 -0.870 1.984 1.00 0.00 N ATOM 633 CA ILE A 43 -0.508 0.359 1.654 1.00 0.00 C ATOM 634 C ILE A 43 -1.373 1.234 0.758 1.00 0.00 C ATOM 635 O ILE A 43 -1.384 2.459 0.876 1.00 0.00 O ATOM 636 CB ILE A 43 0.810 0.052 0.925 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.574 1.338 0.610 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.533 -0.724 -0.348 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.075 1.174 0.677 1.00 0.00 C ATOM 0 H ILE A 43 -0.701 -1.725 1.779 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.287 0.880 2.585 1.00 0.00 H new ATOM 0 HB ILE A 43 1.431 -0.557 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.297 1.682 -0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.269 2.115 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.473 -0.936 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.034 -1.661 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.108 -0.133 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.556 2.124 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.362 0.860 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.391 0.420 -0.044 1.00 0.00 H new ATOM 651 N THR A 44 -2.101 0.577 -0.138 1.00 0.00 N ATOM 652 CA THR A 44 -2.985 1.258 -1.071 1.00 0.00 C ATOM 653 C THR A 44 -4.004 2.119 -0.335 1.00 0.00 C ATOM 654 O THR A 44 -4.256 3.259 -0.716 1.00 0.00 O ATOM 655 CB THR A 44 -3.709 0.232 -1.944 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.783 -0.532 -2.694 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.691 0.849 -2.918 1.00 0.00 C ATOM 0 H THR A 44 -2.094 -0.438 -0.236 1.00 0.00 H new ATOM 0 HA THR A 44 -2.378 1.910 -1.700 1.00 0.00 H new ATOM 0 HB THR A 44 -4.265 -0.393 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.521 -1.324 -2.181 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.166 0.062 -3.503 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.452 1.401 -2.367 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.162 1.529 -3.586 1.00 0.00 H new ATOM 665 N GLY A 45 -4.586 1.575 0.725 1.00 0.00 N ATOM 666 CA GLY A 45 -5.570 2.324 1.485 1.00 0.00 C ATOM 667 C GLY A 45 -5.013 3.629 2.000 1.00 0.00 C ATOM 668 O GLY A 45 -5.724 4.629 2.098 1.00 0.00 O ATOM 0 H GLY A 45 -4.397 0.635 1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.438 2.523 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.916 1.721 2.325 1.00 0.00 H new ATOM 672 N MET A 46 -3.732 3.613 2.323 1.00 0.00 N ATOM 673 CA MET A 46 -3.058 4.794 2.833 1.00 0.00 C ATOM 674 C MET A 46 -2.860 5.822 1.731 1.00 0.00 C ATOM 675 O MET A 46 -3.312 6.961 1.848 1.00 0.00 O ATOM 676 CB MET A 46 -1.722 4.403 3.451 1.00 0.00 C ATOM 677 CG MET A 46 -1.870 3.856 4.856 1.00 0.00 C ATOM 678 SD MET A 46 -2.786 2.306 4.905 1.00 0.00 S ATOM 679 CE MET A 46 -1.465 1.162 5.294 1.00 0.00 C ATOM 0 H MET A 46 -3.135 2.790 2.241 1.00 0.00 H new ATOM 0 HA MET A 46 -3.682 5.246 3.603 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.240 3.655 2.822 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.066 5.273 3.471 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.881 3.703 5.288 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.378 4.594 5.477 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.680 0.192 4.846 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.524 1.544 4.898 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.385 1.052 6.376 1.00 0.00 H new ATOM 689 N LEU A 47 -2.171 5.427 0.663 1.00 0.00 N ATOM 690 CA LEU A 47 -1.917 6.338 -0.431 1.00 0.00 C ATOM 691 C LEU A 47 -3.227 6.869 -1.000 1.00 0.00 C ATOM 692 O LEU A 47 -3.233 7.872 -1.712 1.00 0.00 O ATOM 693 CB LEU A 47 -1.115 5.632 -1.523 1.00 0.00 C ATOM 694 CG LEU A 47 0.336 5.296 -1.188 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.268 6.397 -1.687 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.536 5.049 0.302 1.00 0.00 C ATOM 0 H LEU A 47 -1.785 4.491 0.539 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.338 7.181 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.630 4.706 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.124 6.260 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 47 0.585 4.368 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.298 6.141 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.168 6.496 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.004 7.341 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.583 4.813 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.257 5.943 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.088 4.214 0.619 1.00 0.00 H new ATOM 708 N LEU A 48 -4.340 6.185 -0.705 1.00 0.00 N ATOM 709 CA LEU A 48 -5.656 6.589 -1.212 1.00 0.00 C ATOM 710 C LEU A 48 -6.056 8.001 -0.756 1.00 0.00 C ATOM 711 O LEU A 48 -7.228 8.372 -0.834 1.00 0.00 O ATOM 712 CB LEU A 48 -6.722 5.574 -0.768 1.00 0.00 C ATOM 713 CG LEU A 48 -7.480 4.879 -1.908 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.590 3.874 -2.616 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.732 4.187 -1.393 1.00 0.00 C ATOM 0 H LEU A 48 -4.355 5.351 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.590 6.609 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.241 4.811 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.444 6.085 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.777 5.649 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.150 3.395 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.723 4.386 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.257 3.118 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.248 3.704 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.455 3.437 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.392 4.923 -0.935 1.00 0.00 H new ATOM 727 N GLU A 49 -5.086 8.792 -0.299 1.00 0.00 N ATOM 728 CA GLU A 49 -5.348 10.155 0.143 1.00 0.00 C ATOM 729 C GLU A 49 -5.588 11.075 -1.054 1.00 0.00 C ATOM 730 O GLU A 49 -5.984 12.229 -0.888 1.00 0.00 O ATOM 731 CB GLU A 49 -4.158 10.672 0.962 1.00 0.00 C ATOM 732 CG GLU A 49 -4.555 11.396 2.237 1.00 0.00 C ATOM 733 CD GLU A 49 -4.548 12.906 2.081 1.00 0.00 C ATOM 734 OE1 GLU A 49 -4.439 13.385 0.933 1.00 0.00 O ATOM 735 OE2 GLU A 49 -4.650 13.609 3.109 1.00 0.00 O ATOM 0 H GLU A 49 -4.109 8.508 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.244 10.152 0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.514 9.831 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.568 11.347 0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.550 11.071 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.871 11.115 3.038 1.00 0.00 H new ATOM 742 N ILE A 50 -5.340 10.560 -2.261 1.00 0.00 N ATOM 743 CA ILE A 50 -5.521 11.343 -3.477 1.00 0.00 C ATOM 744 C ILE A 50 -6.729 10.856 -4.290 1.00 0.00 C ATOM 745 O ILE A 50 -7.286 9.792 -4.019 1.00 0.00 O ATOM 746 CB ILE A 50 -4.239 11.324 -4.337 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.114 12.623 -5.128 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.206 10.118 -5.261 1.00 0.00 C ATOM 749 CD1 ILE A 50 -2.793 13.322 -4.911 1.00 0.00 C ATOM 0 H ILE A 50 -5.014 9.606 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.720 12.372 -3.177 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.383 11.242 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.235 12.408 -6.190 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.925 13.294 -4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.290 10.137 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.237 9.204 -4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.068 10.147 -5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.765 14.239 -5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.680 13.566 -3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.979 12.667 -5.221 1.00 0.00 H new ATOM 761 N ASP A 51 -7.110 11.636 -5.302 1.00 0.00 N ATOM 762 CA ASP A 51 -8.227 11.290 -6.180 1.00 0.00 C ATOM 763 C ASP A 51 -7.855 10.171 -7.155 1.00 0.00 C ATOM 764 O ASP A 51 -6.746 10.155 -7.686 1.00 0.00 O ATOM 765 CB ASP A 51 -8.694 12.523 -6.955 1.00 0.00 C ATOM 766 CG ASP A 51 -10.062 12.326 -7.580 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.034 12.115 -6.826 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.161 12.383 -8.823 1.00 0.00 O ATOM 0 H ASP A 51 -6.656 12.519 -5.535 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.040 10.929 -5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.724 13.381 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.970 12.754 -7.736 1.00 0.00 H new ATOM 773 N ASN A 52 -8.790 9.251 -7.414 1.00 0.00 N ATOM 774 CA ASN A 52 -8.538 8.157 -8.359 1.00 0.00 C ATOM 775 C ASN A 52 -7.905 8.675 -9.657 1.00 0.00 C ATOM 776 O ASN A 52 -7.266 7.919 -10.383 1.00 0.00 O ATOM 777 CB ASN A 52 -9.852 7.418 -8.670 1.00 0.00 C ATOM 778 CG ASN A 52 -9.774 6.529 -9.907 1.00 0.00 C ATOM 779 OD1 ASN A 52 -9.999 5.227 -9.727 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -9.523 7.008 -11.013 1.00 0.00 N flip ATOM 0 H ASN A 52 -9.717 9.241 -6.989 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.835 7.465 -7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.128 6.807 -7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.647 8.151 -8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.357 8.010 -11.109 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.481 6.403 -11.833 1.00 0.00 H new ATOM 787 N SER A 53 -8.111 9.955 -9.961 1.00 0.00 N ATOM 788 CA SER A 53 -7.582 10.548 -11.193 1.00 0.00 C ATOM 789 C SER A 53 -6.062 10.724 -11.158 1.00 0.00 C ATOM 790 O SER A 53 -5.407 10.714 -12.203 1.00 0.00 O ATOM 791 CB SER A 53 -8.256 11.897 -11.464 1.00 0.00 C ATOM 792 OG SER A 53 -9.072 11.835 -12.621 1.00 0.00 O ATOM 0 H SER A 53 -8.639 10.602 -9.375 1.00 0.00 H new ATOM 0 HA SER A 53 -7.808 9.852 -12.001 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.860 12.185 -10.604 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.496 12.668 -11.592 1.00 0.00 H new ATOM 0 HG SER A 53 -9.492 12.707 -12.772 1.00 0.00 H new ATOM 798 N GLU A 54 -5.500 10.882 -9.967 1.00 0.00 N ATOM 799 CA GLU A 54 -4.057 11.058 -9.833 1.00 0.00 C ATOM 800 C GLU A 54 -3.332 9.729 -9.988 1.00 0.00 C ATOM 801 O GLU A 54 -2.250 9.658 -10.569 1.00 0.00 O ATOM 802 CB GLU A 54 -3.720 11.680 -8.480 1.00 0.00 C ATOM 803 CG GLU A 54 -3.524 13.186 -8.539 1.00 0.00 C ATOM 804 CD GLU A 54 -2.184 13.572 -9.132 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.900 13.157 -10.275 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.418 14.287 -8.452 1.00 0.00 O ATOM 0 H GLU A 54 -6.014 10.892 -9.086 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.724 11.729 -10.625 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.520 11.453 -7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.812 11.218 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.323 13.630 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.606 13.600 -7.534 1.00 0.00 H new ATOM 813 N LEU A 55 -3.942 8.682 -9.463 1.00 0.00 N ATOM 814 CA LEU A 55 -3.369 7.347 -9.532 1.00 0.00 C ATOM 815 C LEU A 55 -3.209 6.902 -10.979 1.00 0.00 C ATOM 816 O LEU A 55 -2.213 6.275 -11.338 1.00 0.00 O ATOM 817 CB LEU A 55 -4.245 6.362 -8.773 1.00 0.00 C ATOM 818 CG LEU A 55 -4.378 6.644 -7.279 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.489 7.640 -7.008 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.649 5.365 -6.534 1.00 0.00 C ATOM 0 H LEU A 55 -4.840 8.730 -8.981 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.382 7.372 -9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.240 6.364 -9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.838 5.359 -8.905 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.439 7.074 -6.932 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.561 7.822 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.271 8.577 -7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.435 7.238 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.742 5.577 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.576 4.921 -6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.826 4.669 -6.695 1.00 0.00 H new ATOM 832 N LEU A 56 -4.184 7.250 -11.808 1.00 0.00 N ATOM 833 CA LEU A 56 -4.126 6.901 -13.218 1.00 0.00 C ATOM 834 C LEU A 56 -2.935 7.606 -13.852 1.00 0.00 C ATOM 835 O LEU A 56 -2.232 7.040 -14.689 1.00 0.00 O ATOM 836 CB LEU A 56 -5.429 7.286 -13.923 1.00 0.00 C ATOM 837 CG LEU A 56 -6.574 6.274 -13.779 1.00 0.00 C ATOM 838 CD1 LEU A 56 -6.614 5.693 -12.372 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.908 6.925 -14.124 1.00 0.00 C ATOM 0 H LEU A 56 -5.017 7.769 -11.530 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.003 5.823 -13.323 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.764 8.247 -13.533 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.221 7.427 -14.984 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.394 5.458 -14.478 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.434 4.979 -12.296 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.672 5.187 -12.160 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.765 6.496 -11.651 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.709 6.193 -14.017 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.089 7.763 -13.450 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.882 7.286 -15.152 1.00 0.00 H new ATOM 851 N HIS A 57 -2.701 8.841 -13.415 1.00 0.00 N ATOM 852 CA HIS A 57 -1.575 9.628 -13.905 1.00 0.00 C ATOM 853 C HIS A 57 -0.266 8.919 -13.575 1.00 0.00 C ATOM 854 O HIS A 57 0.664 8.892 -14.382 1.00 0.00 O ATOM 855 CB HIS A 57 -1.582 11.019 -13.270 1.00 0.00 C ATOM 856 CG HIS A 57 -2.313 12.046 -14.075 1.00 0.00 C ATOM 857 ND1 HIS A 57 -2.012 12.328 -15.389 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.337 12.865 -13.742 1.00 0.00 C ATOM 859 CE1 HIS A 57 -2.817 13.276 -15.831 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.633 13.619 -14.850 1.00 0.00 N ATOM 0 H HIS A 57 -3.278 9.318 -12.722 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.666 9.734 -14.986 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.037 10.955 -12.281 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.553 11.348 -13.127 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.280 11.874 -15.936 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.830 12.916 -12.782 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.810 13.699 -16.825 1.00 0.00 H new ATOM 868 N MET A 58 -0.207 8.346 -12.378 1.00 0.00 N ATOM 869 CA MET A 58 0.978 7.630 -11.926 1.00 0.00 C ATOM 870 C MET A 58 1.280 6.445 -12.842 1.00 0.00 C ATOM 871 O MET A 58 2.430 6.201 -13.207 1.00 0.00 O ATOM 872 CB MET A 58 0.773 7.143 -10.489 1.00 0.00 C ATOM 873 CG MET A 58 0.528 8.263 -9.488 1.00 0.00 C ATOM 874 SD MET A 58 0.287 7.648 -7.810 1.00 0.00 S ATOM 875 CE MET A 58 -1.164 8.570 -7.305 1.00 0.00 C ATOM 0 H MET A 58 -0.970 8.364 -11.701 1.00 0.00 H new ATOM 0 HA MET A 58 1.828 8.312 -11.959 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.073 6.456 -10.466 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.651 6.577 -10.179 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.374 8.950 -9.502 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.350 8.833 -9.792 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.068 8.855 -6.257 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.257 9.467 -7.918 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.052 7.950 -7.433 1.00 0.00 H new ATOM 885 N LEU A 59 0.236 5.704 -13.190 1.00 0.00 N ATOM 886 CA LEU A 59 0.380 4.527 -14.047 1.00 0.00 C ATOM 887 C LEU A 59 0.965 4.914 -15.405 1.00 0.00 C ATOM 888 O LEU A 59 1.650 4.115 -16.044 1.00 0.00 O ATOM 889 CB LEU A 59 -0.977 3.825 -14.219 1.00 0.00 C ATOM 890 CG LEU A 59 -1.184 3.067 -15.542 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.639 1.640 -15.277 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.195 3.794 -16.417 1.00 0.00 C ATOM 0 H LEU A 59 -0.721 5.894 -12.894 1.00 0.00 H new ATOM 0 HA LEU A 59 1.071 3.833 -13.568 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.106 3.121 -13.397 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.764 4.573 -14.125 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.231 3.030 -16.070 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.780 1.121 -16.225 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.883 1.121 -14.688 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.581 1.654 -14.728 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.330 3.245 -17.349 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.149 3.860 -15.893 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.831 4.798 -16.636 1.00 0.00 H new ATOM 904 N GLU A 60 0.705 6.143 -15.839 1.00 0.00 N ATOM 905 CA GLU A 60 1.225 6.617 -17.120 1.00 0.00 C ATOM 906 C GLU A 60 2.373 7.610 -16.924 1.00 0.00 C ATOM 907 O GLU A 60 2.952 8.099 -17.894 1.00 0.00 O ATOM 908 CB GLU A 60 0.109 7.256 -17.954 1.00 0.00 C ATOM 909 CG GLU A 60 -0.398 8.574 -17.398 1.00 0.00 C ATOM 910 CD GLU A 60 0.292 9.774 -18.018 1.00 0.00 C ATOM 911 OE1 GLU A 60 0.944 9.606 -19.070 1.00 0.00 O ATOM 912 OE2 GLU A 60 0.180 10.881 -17.451 1.00 0.00 O ATOM 0 H GLU A 60 0.143 6.825 -15.329 1.00 0.00 H new ATOM 0 HA GLU A 60 1.614 5.752 -17.657 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.474 7.417 -18.968 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.725 6.557 -18.023 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.472 8.648 -17.571 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.247 8.591 -16.319 1.00 0.00 H new ATOM 919 N SER A 61 2.703 7.898 -15.664 1.00 0.00 N ATOM 920 CA SER A 61 3.786 8.824 -15.346 1.00 0.00 C ATOM 921 C SER A 61 4.546 8.352 -14.107 1.00 0.00 C ATOM 922 O SER A 61 4.234 8.757 -12.987 1.00 0.00 O ATOM 923 CB SER A 61 3.236 10.235 -15.117 1.00 0.00 C ATOM 924 OG SER A 61 3.970 11.197 -15.856 1.00 0.00 O ATOM 0 H SER A 61 2.235 7.502 -14.849 1.00 0.00 H new ATOM 0 HA SER A 61 4.473 8.849 -16.192 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.187 10.271 -15.409 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.280 10.477 -14.055 1.00 0.00 H new ATOM 0 HG SER A 61 3.597 12.089 -15.693 1.00 0.00 H new ATOM 930 N PRO A 62 5.557 7.483 -14.292 1.00 0.00 N ATOM 931 CA PRO A 62 6.360 6.953 -13.183 1.00 0.00 C ATOM 932 C PRO A 62 6.894 8.054 -12.274 1.00 0.00 C ATOM 933 O PRO A 62 7.089 7.847 -11.077 1.00 0.00 O ATOM 934 CB PRO A 62 7.513 6.238 -13.891 1.00 0.00 C ATOM 935 CG PRO A 62 6.967 5.864 -15.224 1.00 0.00 C ATOM 936 CD PRO A 62 5.993 6.949 -15.596 1.00 0.00 C ATOM 0 HA PRO A 62 5.775 6.306 -12.530 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.382 6.889 -13.988 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.834 5.358 -13.334 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.764 5.786 -15.963 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.473 4.893 -15.184 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.464 7.719 -16.208 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.154 6.555 -16.169 1.00 0.00 H new ATOM 944 N GLU A 63 7.131 9.223 -12.857 1.00 0.00 N ATOM 945 CA GLU A 63 7.648 10.368 -12.110 1.00 0.00 C ATOM 946 C GLU A 63 6.785 10.667 -10.887 1.00 0.00 C ATOM 947 O GLU A 63 7.293 10.786 -9.773 1.00 0.00 O ATOM 948 CB GLU A 63 7.716 11.599 -13.015 1.00 0.00 C ATOM 949 CG GLU A 63 6.497 11.767 -13.909 1.00 0.00 C ATOM 950 CD GLU A 63 6.860 11.886 -15.377 1.00 0.00 C ATOM 951 OE1 GLU A 63 7.157 10.845 -16.002 1.00 0.00 O ATOM 952 OE2 GLU A 63 6.850 13.019 -15.902 1.00 0.00 O ATOM 0 H GLU A 63 6.973 9.405 -13.848 1.00 0.00 H new ATOM 0 HA GLU A 63 8.651 10.119 -11.764 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.827 12.489 -12.396 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.607 11.532 -13.639 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.831 10.916 -13.772 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.946 12.656 -13.602 1.00 0.00 H new ATOM 959 N SER A 64 5.479 10.785 -11.101 1.00 0.00 N ATOM 960 CA SER A 64 4.547 11.063 -10.017 1.00 0.00 C ATOM 961 C SER A 64 4.205 9.776 -9.284 1.00 0.00 C ATOM 962 O SER A 64 3.902 9.782 -8.091 1.00 0.00 O ATOM 963 CB SER A 64 3.276 11.715 -10.565 1.00 0.00 C ATOM 964 OG SER A 64 3.568 12.946 -11.201 1.00 0.00 O ATOM 0 H SER A 64 5.042 10.692 -12.018 1.00 0.00 H new ATOM 0 HA SER A 64 5.017 11.754 -9.316 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.794 11.041 -11.274 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.569 11.881 -9.752 1.00 0.00 H new ATOM 0 HG SER A 64 2.740 13.342 -11.544 1.00 0.00 H new ATOM 970 N LEU A 65 4.257 8.671 -10.019 1.00 0.00 N ATOM 971 CA LEU A 65 3.958 7.365 -9.465 1.00 0.00 C ATOM 972 C LEU A 65 4.860 7.093 -8.271 1.00 0.00 C ATOM 973 O LEU A 65 4.389 6.977 -7.139 1.00 0.00 O ATOM 974 CB LEU A 65 4.182 6.300 -10.550 1.00 0.00 C ATOM 975 CG LEU A 65 3.475 4.952 -10.355 1.00 0.00 C ATOM 976 CD1 LEU A 65 4.027 3.937 -11.343 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.632 4.444 -8.928 1.00 0.00 C ATOM 0 H LEU A 65 4.506 8.659 -11.008 1.00 0.00 H new ATOM 0 HA LEU A 65 2.921 7.333 -9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.862 6.716 -11.505 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.253 6.114 -10.627 1.00 0.00 H new ATOM 0 HG LEU A 65 2.410 5.093 -10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.523 2.981 -11.202 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.858 4.290 -12.360 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.097 3.811 -11.176 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.120 3.488 -8.824 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.691 4.315 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.198 5.165 -8.235 1.00 0.00 H new ATOM 989 N ARG A 66 6.154 6.992 -8.525 1.00 0.00 N ATOM 990 CA ARG A 66 7.114 6.731 -7.459 1.00 0.00 C ATOM 991 C ARG A 66 7.131 7.862 -6.436 1.00 0.00 C ATOM 992 O ARG A 66 7.416 7.644 -5.259 1.00 0.00 O ATOM 993 CB ARG A 66 8.511 6.532 -8.042 1.00 0.00 C ATOM 994 CG ARG A 66 9.587 6.320 -6.988 1.00 0.00 C ATOM 995 CD ARG A 66 10.940 6.801 -7.482 1.00 0.00 C ATOM 996 NE ARG A 66 11.449 5.966 -8.566 1.00 0.00 N ATOM 997 CZ ARG A 66 12.185 4.872 -8.379 1.00 0.00 C ATOM 998 NH1 ARG A 66 12.508 4.480 -7.152 1.00 0.00 N ATOM 999 NH2 ARG A 66 12.600 4.166 -9.422 1.00 0.00 N ATOM 0 H ARG A 66 6.565 7.086 -9.454 1.00 0.00 H new ATOM 0 HA ARG A 66 6.805 5.819 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.497 5.673 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.771 7.402 -8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.318 6.855 -6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.645 5.262 -6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.856 7.832 -7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.651 6.798 -6.656 1.00 0.00 H new ATOM 0 HE ARG A 66 11.228 6.237 -9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.192 5.018 -6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.072 3.641 -7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.355 4.461 -10.367 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.164 3.328 -9.279 1.00 0.00 H new ATOM 1013 N SER A 67 6.836 9.072 -6.895 1.00 0.00 N ATOM 1014 CA SER A 67 6.831 10.243 -6.028 1.00 0.00 C ATOM 1015 C SER A 67 5.891 10.062 -4.841 1.00 0.00 C ATOM 1016 O SER A 67 6.244 10.379 -3.705 1.00 0.00 O ATOM 1017 CB SER A 67 6.411 11.476 -6.825 1.00 0.00 C ATOM 1018 OG SER A 67 7.533 12.114 -7.410 1.00 0.00 O ATOM 0 H SER A 67 6.596 9.268 -7.867 1.00 0.00 H new ATOM 0 HA SER A 67 7.842 10.374 -5.643 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.707 11.186 -7.605 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.891 12.176 -6.171 1.00 0.00 H new ATOM 0 HG SER A 67 7.661 11.779 -8.322 1.00 0.00 H new ATOM 1024 N LYS A 68 4.689 9.572 -5.112 1.00 0.00 N ATOM 1025 CA LYS A 68 3.689 9.375 -4.066 1.00 0.00 C ATOM 1026 C LYS A 68 3.967 8.096 -3.273 1.00 0.00 C ATOM 1027 O LYS A 68 4.010 8.118 -2.042 1.00 0.00 O ATOM 1028 CB LYS A 68 2.279 9.344 -4.673 1.00 0.00 C ATOM 1029 CG LYS A 68 2.141 10.158 -5.961 1.00 0.00 C ATOM 1030 CD LYS A 68 1.023 11.189 -5.872 1.00 0.00 C ATOM 1031 CE LYS A 68 1.409 12.494 -6.552 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.751 12.652 -7.881 1.00 0.00 N ATOM 0 H LYS A 68 4.381 9.303 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 68 3.750 10.215 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.005 8.309 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.569 9.722 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.083 10.663 -6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.946 9.484 -6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.121 10.789 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.786 11.380 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.134 13.331 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.491 12.530 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.421 13.079 -8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.454 11.720 -8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.082 13.267 -7.785 1.00 0.00 H new ATOM 1046 N VAL A 69 4.159 6.989 -3.983 1.00 0.00 N ATOM 1047 CA VAL A 69 4.440 5.702 -3.343 1.00 0.00 C ATOM 1048 C VAL A 69 5.666 5.788 -2.445 1.00 0.00 C ATOM 1049 O VAL A 69 5.614 5.445 -1.265 1.00 0.00 O ATOM 1050 CB VAL A 69 4.690 4.598 -4.386 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.692 3.231 -3.719 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.656 4.663 -5.501 1.00 0.00 C ATOM 0 H VAL A 69 4.126 6.954 -5.002 1.00 0.00 H new ATOM 0 HA VAL A 69 3.561 5.455 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 69 5.671 4.760 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.870 2.460 -4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.480 3.194 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.727 3.057 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.853 3.873 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.659 4.530 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.715 5.633 -5.995 1.00 0.00 H new ATOM 1062 N ASP A 70 6.765 6.255 -3.018 1.00 0.00 N ATOM 1063 CA ASP A 70 8.020 6.395 -2.281 1.00 0.00 C ATOM 1064 C ASP A 70 7.798 7.181 -0.998 1.00 0.00 C ATOM 1065 O ASP A 70 8.136 6.729 0.097 1.00 0.00 O ATOM 1066 CB ASP A 70 9.070 7.099 -3.145 1.00 0.00 C ATOM 1067 CG ASP A 70 10.455 7.047 -2.531 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.565 7.220 -1.299 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.429 6.834 -3.282 1.00 0.00 O ATOM 0 H ASP A 70 6.817 6.545 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 70 8.381 5.398 -2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.095 6.635 -4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.779 8.139 -3.290 1.00 0.00 H new ATOM 1074 N GLU A 71 7.219 8.360 -1.151 1.00 0.00 N ATOM 1075 CA GLU A 71 6.927 9.234 -0.025 1.00 0.00 C ATOM 1076 C GLU A 71 6.089 8.516 1.018 1.00 0.00 C ATOM 1077 O GLU A 71 6.513 8.362 2.163 1.00 0.00 O ATOM 1078 CB GLU A 71 6.223 10.484 -0.539 1.00 0.00 C ATOM 1079 CG GLU A 71 7.157 11.679 -0.685 1.00 0.00 C ATOM 1080 CD GLU A 71 8.278 11.435 -1.677 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.768 10.290 -1.753 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.670 12.394 -2.375 1.00 0.00 O ATOM 0 H GLU A 71 6.938 8.738 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 71 7.859 9.524 0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.768 10.266 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.414 10.744 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.580 12.548 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.586 11.920 0.288 1.00 0.00 H new ATOM 1089 N ALA A 72 4.913 8.062 0.618 1.00 0.00 N ATOM 1090 CA ALA A 72 4.029 7.341 1.517 1.00 0.00 C ATOM 1091 C ALA A 72 4.784 6.250 2.261 1.00 0.00 C ATOM 1092 O ALA A 72 4.699 6.137 3.481 1.00 0.00 O ATOM 1093 CB ALA A 72 2.899 6.731 0.732 1.00 0.00 C ATOM 0 H ALA A 72 4.548 8.181 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 72 3.631 8.044 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.237 6.190 1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.339 7.519 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.302 6.041 -0.010 1.00 0.00 H new ATOM 1099 N VAL A 73 5.522 5.447 1.507 1.00 0.00 N ATOM 1100 CA VAL A 73 6.290 4.353 2.080 1.00 0.00 C ATOM 1101 C VAL A 73 7.152 4.845 3.235 1.00 0.00 C ATOM 1102 O VAL A 73 7.308 4.157 4.241 1.00 0.00 O ATOM 1103 CB VAL A 73 7.181 3.681 1.014 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.161 2.705 1.650 1.00 0.00 C ATOM 1105 CG2 VAL A 73 6.318 2.978 -0.018 1.00 0.00 C ATOM 0 H VAL A 73 5.604 5.534 0.494 1.00 0.00 H new ATOM 0 HA VAL A 73 5.581 3.616 2.456 1.00 0.00 H new ATOM 0 HB VAL A 73 7.763 4.457 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.775 2.248 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.802 3.238 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.609 1.929 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.956 2.507 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.711 2.217 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.666 3.705 -0.503 1.00 0.00 H new ATOM 1115 N ALA A 74 7.689 6.046 3.097 1.00 0.00 N ATOM 1116 CA ALA A 74 8.506 6.631 4.143 1.00 0.00 C ATOM 1117 C ALA A 74 7.629 7.079 5.307 1.00 0.00 C ATOM 1118 O ALA A 74 7.775 6.603 6.433 1.00 0.00 O ATOM 1119 CB ALA A 74 9.312 7.799 3.596 1.00 0.00 C ATOM 0 H ALA A 74 7.573 6.633 2.271 1.00 0.00 H new ATOM 0 HA ALA A 74 9.203 5.876 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.920 8.227 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.961 7.449 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.634 8.559 3.209 1.00 0.00 H new ATOM 1125 N VAL A 75 6.717 8.001 5.019 1.00 0.00 N ATOM 1126 CA VAL A 75 5.807 8.534 6.025 1.00 0.00 C ATOM 1127 C VAL A 75 4.932 7.449 6.651 1.00 0.00 C ATOM 1128 O VAL A 75 4.996 7.195 7.853 1.00 0.00 O ATOM 1129 CB VAL A 75 4.905 9.629 5.419 1.00 0.00 C ATOM 1130 CG1 VAL A 75 4.228 9.176 4.134 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.886 10.125 6.437 1.00 0.00 C ATOM 0 H VAL A 75 6.588 8.397 4.088 1.00 0.00 H new ATOM 0 HA VAL A 75 6.429 8.961 6.811 1.00 0.00 H new ATOM 0 HB VAL A 75 5.553 10.464 5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.605 9.982 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.986 8.917 3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.607 8.303 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.264 10.896 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.258 9.294 6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.406 10.540 7.300 1.00 0.00 H new ATOM 1141 N LEU A 76 4.096 6.840 5.829 1.00 0.00 N ATOM 1142 CA LEU A 76 3.167 5.799 6.287 1.00 0.00 C ATOM 1143 C LEU A 76 3.884 4.726 7.098 1.00 0.00 C ATOM 1144 O LEU A 76 3.546 4.481 8.257 1.00 0.00 O ATOM 1145 CB LEU A 76 2.448 5.163 5.088 1.00 0.00 C ATOM 1146 CG LEU A 76 1.641 3.889 5.383 1.00 0.00 C ATOM 1147 CD1 LEU A 76 2.547 2.668 5.369 1.00 0.00 C ATOM 1148 CD2 LEU A 76 0.905 3.993 6.713 1.00 0.00 C ATOM 0 H LEU A 76 4.035 7.044 4.832 1.00 0.00 H new ATOM 0 HA LEU A 76 2.431 6.273 6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.774 5.905 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.192 4.930 4.326 1.00 0.00 H new ATOM 0 HG LEU A 76 0.894 3.779 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.958 1.775 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.013 2.572 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.320 2.780 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.344 3.076 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.626 4.140 7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.218 4.838 6.683 1.00 0.00 H new ATOM 1160 N GLN A 77 4.875 4.089 6.490 1.00 0.00 N ATOM 1161 CA GLN A 77 5.623 3.043 7.182 1.00 0.00 C ATOM 1162 C GLN A 77 6.079 3.550 8.549 1.00 0.00 C ATOM 1163 O GLN A 77 6.271 2.771 9.484 1.00 0.00 O ATOM 1164 CB GLN A 77 6.833 2.592 6.366 1.00 0.00 C ATOM 1165 CG GLN A 77 7.485 1.331 6.910 1.00 0.00 C ATOM 1166 CD GLN A 77 8.700 1.624 7.768 1.00 0.00 C ATOM 1167 OE1 GLN A 77 8.635 2.415 8.709 1.00 0.00 O ATOM 1168 NE2 GLN A 77 9.817 0.985 7.444 1.00 0.00 N ATOM 0 H GLN A 77 5.178 4.272 5.534 1.00 0.00 H new ATOM 0 HA GLN A 77 4.964 2.185 7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.524 2.418 5.335 1.00 0.00 H new ATOM 0 HB3 GLN A 77 7.570 3.395 6.346 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.755 0.775 7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.779 0.691 6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.824 0.338 6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.668 1.141 7.984 1.00 0.00 H new ATOM 1177 N ALA A 78 6.214 4.870 8.661 1.00 0.00 N ATOM 1178 CA ALA A 78 6.608 5.501 9.912 1.00 0.00 C ATOM 1179 C ALA A 78 5.405 5.655 10.842 1.00 0.00 C ATOM 1180 O ALA A 78 5.523 5.500 12.057 1.00 0.00 O ATOM 1181 CB ALA A 78 7.249 6.855 9.641 1.00 0.00 C ATOM 0 H ALA A 78 6.055 5.523 7.894 1.00 0.00 H new ATOM 0 HA ALA A 78 7.340 4.861 10.405 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.539 7.316 10.585 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.132 6.721 9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.535 7.499 9.127 1.00 0.00 H new ATOM 1187 N HIS A 79 4.245 5.968 10.261 1.00 0.00 N ATOM 1188 CA HIS A 79 3.022 6.150 11.035 1.00 0.00 C ATOM 1189 C HIS A 79 2.593 4.847 11.704 1.00 0.00 C ATOM 1190 O HIS A 79 2.556 4.753 12.931 1.00 0.00 O ATOM 1191 CB HIS A 79 1.895 6.682 10.142 1.00 0.00 C ATOM 1192 CG HIS A 79 1.672 8.156 10.282 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.837 8.704 11.231 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.183 9.201 9.587 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.841 10.020 11.116 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.650 10.346 10.125 1.00 0.00 N ATOM 0 H HIS A 79 4.130 6.100 9.256 1.00 0.00 H new ATOM 0 HA HIS A 79 3.228 6.881 11.816 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.127 6.454 9.102 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.971 6.157 10.384 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.880 9.144 8.764 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.279 10.710 11.728 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.847 11.296 9.810 1.00 0.00 H new ATOM 1536 N LYS B 5 5.538 13.324 4.233 1.00 0.00 N ATOM 1537 CA LYS B 5 5.742 13.062 2.815 1.00 0.00 C ATOM 1538 C LYS B 5 4.503 13.442 1.994 1.00 0.00 C ATOM 1539 O LYS B 5 3.598 14.111 2.494 1.00 0.00 O ATOM 1540 CB LYS B 5 6.105 11.594 2.608 1.00 0.00 C ATOM 1541 CG LYS B 5 7.265 11.127 3.472 1.00 0.00 C ATOM 1542 CD LYS B 5 8.580 11.739 3.015 1.00 0.00 C ATOM 1543 CE LYS B 5 9.747 10.792 3.240 1.00 0.00 C ATOM 1544 NZ LYS B 5 11.056 11.489 3.117 1.00 0.00 N ATOM 0 HA LYS B 5 6.566 13.682 2.463 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.232 10.978 2.823 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.357 11.435 1.559 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.078 11.397 4.511 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.335 10.040 3.433 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.515 11.993 1.957 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.756 12.669 3.555 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.666 10.344 4.230 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.699 9.978 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 11.827 10.810 3.277 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 11.145 11.895 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 11.112 12.250 3.824 1.00 0.00 H new ATOM 1558 N LEU B 6 4.477 13.022 0.730 1.00 0.00 N ATOM 1559 CA LEU B 6 3.363 13.328 -0.168 1.00 0.00 C ATOM 1560 C LEU B 6 2.090 12.622 0.276 1.00 0.00 C ATOM 1561 O LEU B 6 1.007 13.208 0.253 1.00 0.00 O ATOM 1562 CB LEU B 6 3.708 12.922 -1.603 1.00 0.00 C ATOM 1563 CG LEU B 6 4.452 13.985 -2.418 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.693 13.392 -3.072 1.00 0.00 C ATOM 1565 CD2 LEU B 6 3.534 14.595 -3.468 1.00 0.00 C ATOM 0 H LEU B 6 5.218 12.466 0.303 1.00 0.00 H new ATOM 0 HA LEU B 6 3.191 14.404 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.317 12.018 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.785 12.667 -2.124 1.00 0.00 H new ATOM 0 HG LEU B 6 4.769 14.775 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.206 14.164 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.362 13.007 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.401 12.580 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.081 15.348 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.184 13.814 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.679 15.061 -2.978 1.00 0.00 H new ATOM 1577 N SER B 7 2.225 11.374 0.708 1.00 0.00 N ATOM 1578 CA SER B 7 1.083 10.615 1.190 1.00 0.00 C ATOM 1579 C SER B 7 1.162 10.447 2.701 1.00 0.00 C ATOM 1580 O SER B 7 2.074 10.963 3.343 1.00 0.00 O ATOM 1581 CB SER B 7 1.027 9.245 0.529 1.00 0.00 C ATOM 1582 OG SER B 7 -0.253 8.666 0.679 1.00 0.00 O ATOM 0 H SER B 7 3.111 10.870 0.734 1.00 0.00 H new ATOM 0 HA SER B 7 0.178 11.166 0.934 1.00 0.00 H new ATOM 0 HB2 SER B 7 1.267 9.338 -0.530 1.00 0.00 H new ATOM 0 HB3 SER B 7 1.780 8.592 0.971 1.00 0.00 H new ATOM 0 HG SER B 7 -0.897 9.147 0.119 1.00 0.00 H new ATOM 1588 N VAL B 8 0.205 9.719 3.259 1.00 0.00 N ATOM 1589 CA VAL B 8 0.161 9.477 4.697 1.00 0.00 C ATOM 1590 C VAL B 8 -0.609 8.196 4.997 1.00 0.00 C ATOM 1591 O VAL B 8 -1.021 7.485 4.081 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.501 10.654 5.447 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.508 11.760 5.717 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.690 11.192 4.662 1.00 0.00 C ATOM 0 H VAL B 8 -0.555 9.283 2.736 1.00 0.00 H new ATOM 0 HA VAL B 8 1.190 9.377 5.042 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.863 10.283 6.406 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.019 12.578 6.246 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.322 11.369 6.327 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.907 12.127 4.771 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.142 12.020 5.208 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.354 11.541 3.686 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.427 10.400 4.530 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.800 7.898 6.277 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.522 6.697 6.681 1.00 0.00 C ATOM 1606 C ASN B 9 -3.039 6.871 6.520 1.00 0.00 C ATOM 1607 O ASN B 9 -3.807 6.527 7.421 1.00 0.00 O ATOM 1608 CB ASN B 9 -1.184 6.357 8.134 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.639 7.434 9.098 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.969 8.454 9.270 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -2.783 7.215 9.733 1.00 0.00 N ATOM 0 H ASN B 9 -0.466 8.471 7.052 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.211 5.879 6.031 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.654 5.411 8.402 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -0.107 6.217 8.231 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -3.140 7.905 10.394 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -3.306 6.356 9.560 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.469 7.422 5.380 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.888 7.657 5.121 1.00 0.00 C ATOM 1620 C ALA B 10 -5.730 6.412 5.402 1.00 0.00 C ATOM 1621 O ALA B 10 -5.196 5.363 5.757 1.00 0.00 O ATOM 1622 CB ALA B 10 -5.086 8.116 3.685 1.00 0.00 C ATOM 0 H ALA B 10 -2.851 7.713 4.622 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.225 8.440 5.800 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.146 8.289 3.501 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.534 9.041 3.519 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.720 7.348 3.004 1.00 0.00 H new ATOM 1628 N PRO B 11 -7.066 6.523 5.252 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.989 5.406 5.492 1.00 0.00 C ATOM 1630 C PRO B 11 -7.575 4.137 4.752 1.00 0.00 C ATOM 1631 O PRO B 11 -6.439 4.020 4.296 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.324 5.931 4.963 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.223 7.408 5.109 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.783 7.746 4.842 1.00 0.00 C ATOM 0 HA PRO B 11 -8.017 5.118 6.543 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.480 5.644 3.923 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.163 5.531 5.533 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.882 7.917 4.405 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.520 7.724 6.109 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.613 7.979 3.791 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.460 8.614 5.417 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.501 3.197 4.603 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.226 1.958 3.885 1.00 0.00 C ATOM 1644 C GLU B 12 -8.373 2.149 2.374 1.00 0.00 C ATOM 1645 O GLU B 12 -8.607 3.257 1.891 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.170 0.851 4.365 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.596 -0.550 4.226 1.00 0.00 C ATOM 1648 CD GLU B 12 -8.820 -1.404 5.459 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -9.875 -2.066 5.537 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -7.940 -1.411 6.344 1.00 0.00 O ATOM 0 H GLU B 12 -9.450 3.269 4.970 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.196 1.670 4.093 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.420 1.029 5.411 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -10.100 0.910 3.800 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.050 -1.039 3.364 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.526 -0.481 4.027 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.235 1.048 1.644 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.355 1.073 0.190 1.00 0.00 C ATOM 1659 C PHE B 13 -9.718 0.535 -0.235 1.00 0.00 C ATOM 1660 O PHE B 13 -10.017 -0.652 -0.105 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.213 0.305 -0.492 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.176 -1.172 -0.219 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.989 -1.668 1.060 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.315 -2.066 -1.261 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.948 -3.030 1.288 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.274 -3.424 -1.041 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.092 -3.907 0.231 1.00 0.00 C ATOM 0 H PHE B 13 -8.040 0.126 2.035 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.274 2.110 -0.136 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.288 0.456 -1.569 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.265 0.740 -0.175 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.874 -0.984 1.887 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.458 -1.694 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.804 -3.408 2.290 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.385 -4.109 -1.868 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.061 -4.972 0.405 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.526 1.455 -0.757 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.869 1.160 -1.238 1.00 0.00 C ATOM 1679 C TYR B 14 -11.991 1.443 -2.736 1.00 0.00 C ATOM 1680 O TYR B 14 -11.073 1.998 -3.342 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.882 1.983 -0.445 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.342 1.291 0.817 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.501 1.189 1.918 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -14.611 0.735 0.904 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -12.914 0.552 3.072 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.031 0.097 2.056 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.179 0.007 3.135 1.00 0.00 C ATOM 1688 OH TYR B 14 -14.593 -0.626 4.284 1.00 0.00 O ATOM 0 H TYR B 14 -10.262 2.435 -0.858 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.074 0.100 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.438 2.944 -0.185 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.747 2.191 -1.075 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.509 1.614 1.871 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.280 0.802 0.059 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.250 0.481 3.920 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.022 -0.329 2.110 1.00 0.00 H new ATOM 0 HH TYR B 14 -15.509 -0.953 4.165 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.127 1.073 -3.360 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.347 1.305 -4.792 1.00 0.00 C ATOM 1700 C PRO B 15 -13.507 2.781 -5.138 1.00 0.00 C ATOM 1701 O PRO B 15 -14.613 3.326 -5.148 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.636 0.551 -5.087 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.350 0.491 -3.782 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.280 0.401 -2.729 1.00 0.00 C ATOM 0 HA PRO B 15 -12.494 0.970 -5.383 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.232 1.066 -5.840 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.431 -0.448 -5.472 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.969 1.376 -3.635 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.013 -0.373 -3.739 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.580 0.898 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.052 -0.634 -2.474 1.00 0.00 H new ATOM 1712 N SER B 16 -12.388 3.407 -5.464 1.00 0.00 N ATOM 1713 CA SER B 16 -12.370 4.812 -5.847 1.00 0.00 C ATOM 1714 C SER B 16 -13.277 5.057 -7.042 1.00 0.00 C ATOM 1715 O SER B 16 -14.182 5.891 -6.983 1.00 0.00 O ATOM 1716 CB SER B 16 -10.950 5.238 -6.174 1.00 0.00 C ATOM 1717 OG SER B 16 -10.766 6.619 -5.908 1.00 0.00 O ATOM 0 H SER B 16 -11.471 2.960 -5.471 1.00 0.00 H new ATOM 0 HA SER B 16 -12.740 5.405 -5.010 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.245 4.652 -5.585 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.736 5.033 -7.223 1.00 0.00 H new ATOM 0 HG SER B 16 -10.599 6.748 -4.951 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.047 4.321 -8.126 1.00 0.00 N ATOM 1724 CA GLY B 17 -13.870 4.474 -9.306 1.00 0.00 C ATOM 1725 C GLY B 17 -15.122 3.623 -9.250 1.00 0.00 C ATOM 1726 O GLY B 17 -15.415 2.885 -10.190 1.00 0.00 O ATOM 0 H GLY B 17 -12.307 3.624 -8.205 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.150 5.521 -9.417 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.290 4.204 -10.188 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.870 3.730 -8.157 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.103 2.970 -8.003 1.00 0.00 C ATOM 1732 C TYR B 18 -18.105 3.347 -9.089 1.00 0.00 C ATOM 1733 O TYR B 18 -18.318 4.529 -9.363 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.716 3.240 -6.630 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.445 2.057 -6.036 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.756 0.910 -5.676 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.816 2.093 -5.825 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.409 -0.172 -5.121 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.480 1.015 -5.271 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.772 -0.115 -4.919 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.431 -1.188 -4.362 1.00 0.00 O ATOM 0 H TYR B 18 -15.644 4.334 -7.367 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.866 1.910 -8.094 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.926 3.547 -5.945 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.410 4.077 -6.712 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.688 0.862 -5.833 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.373 2.977 -6.098 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.856 -1.058 -4.847 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.548 1.057 -5.115 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.386 -0.983 -4.288 1.00 0.00 H new