USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 19 TYR OH : rot -27:sc= -0.0902! USER MOD Set 1.2: A 21 ASN : amide:sc= -0.602 K(o=-0.69,f=0.25) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.1 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0.44) USER MOD Single : A 8 THR OG1 : rot -97:sc= -0.495! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 140:sc= -0.0146 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0407 X(o=-0.041,f=-0.18) USER MOD Single : A 18 ASN : amide:sc= -3.65! C(o=-3.6!,f=-4!) USER MOD Single : B 1 PHE N :NH3+ 172:sc= 1.28 (180deg=1.26) USER MOD Single : B 3 ASN : amide:sc= -4.08! K(o=-4.1!,f=-2.3) USER MOD Single : B 4 GLN : amide:sc= -1.52! X(o=-1.5!,f=-1.8) USER MOD Single : B 5 HIS : no HE2:sc= -16.4! C(o=-16!,f=-10!) USER MOD Single : B 9 SER OG : rot -78:sc= 0.857 USER MOD Single : B 10 HIS : no HD1:sc= -5.03! C(o=-5!,f=-5.3!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= -1.32! USER MOD Single : B 29 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0202) USER MOD Single : B 30 THR OG1 : rot -74:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.025 9.393 -5.331 1.00 0.00 N ATOM 2 CA GLY A 1 -0.156 8.839 -3.953 1.00 0.00 C ATOM 3 C GLY A 1 1.228 8.473 -3.415 1.00 0.00 C ATOM 4 O GLY A 1 2.214 8.532 -4.122 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.430 10.351 -5.360 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.980 9.434 -5.595 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.534 8.782 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.630 9.571 -3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.798 7.958 -3.963 1.00 0.00 H new ATOM 10 N ILE A 2 1.309 8.095 -2.169 1.00 0.00 N ATOM 11 CA ILE A 2 2.631 7.726 -1.588 1.00 0.00 C ATOM 12 C ILE A 2 3.129 6.432 -2.233 1.00 0.00 C ATOM 13 O ILE A 2 4.316 6.218 -2.378 1.00 0.00 O ATOM 14 CB ILE A 2 2.493 7.525 -0.076 1.00 0.00 C ATOM 15 CG1 ILE A 2 1.185 6.788 0.228 1.00 0.00 C ATOM 16 CG2 ILE A 2 2.481 8.887 0.620 1.00 0.00 C ATOM 17 CD1 ILE A 2 1.347 5.968 1.511 1.00 0.00 C ATOM 0 H ILE A 2 0.518 8.026 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 2 3.345 8.526 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 2 3.334 6.936 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.370 7.503 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.922 6.134 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.383 8.745 1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.412 9.413 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.640 9.475 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.416 5.443 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.150 5.243 1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.590 6.633 2.340 1.00 0.00 H new ATOM 29 N VAL A 3 2.233 5.569 -2.624 1.00 0.00 N ATOM 30 CA VAL A 3 2.648 4.296 -3.259 1.00 0.00 C ATOM 31 C VAL A 3 3.288 4.596 -4.617 1.00 0.00 C ATOM 32 O VAL A 3 4.301 4.030 -4.977 1.00 0.00 O ATOM 33 CB VAL A 3 1.404 3.416 -3.429 1.00 0.00 C ATOM 34 CG1 VAL A 3 1.612 2.422 -4.566 1.00 0.00 C ATOM 35 CG2 VAL A 3 1.144 2.651 -2.130 1.00 0.00 C ATOM 0 H VAL A 3 1.225 5.696 -2.528 1.00 0.00 H new ATOM 0 HA VAL A 3 3.379 3.774 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 3 0.550 4.051 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.721 1.803 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.794 2.964 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.469 1.787 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.260 2.024 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.005 2.024 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.981 3.359 -1.317 1.00 0.00 H new ATOM 45 N GLU A 4 2.705 5.484 -5.370 1.00 0.00 N ATOM 46 CA GLU A 4 3.278 5.823 -6.702 1.00 0.00 C ATOM 47 C GLU A 4 4.711 6.323 -6.522 1.00 0.00 C ATOM 48 O GLU A 4 5.616 5.919 -7.225 1.00 0.00 O ATOM 49 CB GLU A 4 2.433 6.917 -7.358 1.00 0.00 C ATOM 50 CG GLU A 4 2.709 6.943 -8.862 1.00 0.00 C ATOM 51 CD GLU A 4 3.886 7.876 -9.150 1.00 0.00 C ATOM 52 OE1 GLU A 4 3.841 9.010 -8.702 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.813 7.440 -9.813 1.00 0.00 O ATOM 0 H GLU A 4 1.855 5.991 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 4 3.277 4.937 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.374 6.732 -7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.668 7.886 -6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.933 5.938 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.823 7.282 -9.399 1.00 0.00 H new ATOM 60 N GLN A 5 4.921 7.197 -5.580 1.00 0.00 N ATOM 61 CA GLN A 5 6.293 7.728 -5.343 1.00 0.00 C ATOM 62 C GLN A 5 7.087 6.731 -4.498 1.00 0.00 C ATOM 63 O GLN A 5 8.272 6.542 -4.690 1.00 0.00 O ATOM 64 CB GLN A 5 6.199 9.063 -4.601 1.00 0.00 C ATOM 65 CG GLN A 5 7.505 9.839 -4.776 1.00 0.00 C ATOM 66 CD GLN A 5 8.276 9.847 -3.455 1.00 0.00 C ATOM 67 OE1 GLN A 5 9.018 8.929 -3.165 1.00 0.00 O ATOM 68 NE2 GLN A 5 8.130 10.852 -2.634 1.00 0.00 N ATOM 0 H GLN A 5 4.200 7.569 -4.961 1.00 0.00 H new ATOM 0 HA GLN A 5 6.796 7.876 -6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.363 9.647 -4.986 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.006 8.890 -3.542 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.110 9.382 -5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.294 10.861 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.507 11.623 -2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.639 10.866 -1.750 1.00 0.00 H new ATOM 77 N CYS A 6 6.441 6.096 -3.561 1.00 0.00 N ATOM 78 CA CYS A 6 7.150 5.113 -2.693 1.00 0.00 C ATOM 79 C CYS A 6 7.519 3.869 -3.509 1.00 0.00 C ATOM 80 O CYS A 6 8.227 2.999 -3.043 1.00 0.00 O ATOM 81 CB CYS A 6 6.232 4.713 -1.536 1.00 0.00 C ATOM 82 SG CYS A 6 6.964 3.331 -0.629 1.00 0.00 S ATOM 0 H CYS A 6 5.449 6.215 -3.357 1.00 0.00 H new ATOM 0 HA CYS A 6 8.062 5.565 -2.302 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.082 5.561 -0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.251 4.431 -1.918 1.00 0.00 H new ATOM 87 N CYS A 7 7.043 3.776 -4.720 1.00 0.00 N ATOM 88 CA CYS A 7 7.366 2.585 -5.560 1.00 0.00 C ATOM 89 C CYS A 7 8.877 2.506 -5.792 1.00 0.00 C ATOM 90 O CYS A 7 9.486 3.426 -6.300 1.00 0.00 O ATOM 91 CB CYS A 7 6.650 2.703 -6.907 1.00 0.00 C ATOM 92 SG CYS A 7 5.717 1.186 -7.229 1.00 0.00 S ATOM 0 H CYS A 7 6.445 4.472 -5.165 1.00 0.00 H new ATOM 0 HA CYS A 7 7.034 1.683 -5.046 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.978 3.561 -6.900 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.375 2.873 -7.703 1.00 0.00 H new ATOM 97 N THR A 8 9.487 1.408 -5.427 1.00 0.00 N ATOM 98 CA THR A 8 10.959 1.260 -5.629 1.00 0.00 C ATOM 99 C THR A 8 11.467 0.065 -4.819 1.00 0.00 C ATOM 100 O THR A 8 11.668 0.156 -3.624 1.00 0.00 O ATOM 101 CB THR A 8 11.675 2.530 -5.160 1.00 0.00 C ATOM 102 OG1 THR A 8 10.818 3.270 -4.301 1.00 0.00 O ATOM 103 CG2 THR A 8 12.051 3.385 -6.371 1.00 0.00 C ATOM 0 H THR A 8 9.028 0.605 -4.997 1.00 0.00 H new ATOM 0 HA THR A 8 11.162 1.099 -6.688 1.00 0.00 H new ATOM 0 HB THR A 8 12.580 2.255 -4.618 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.365 3.970 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.560 4.288 -6.035 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.713 2.818 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.148 3.659 -6.917 1.00 0.00 H new ATOM 111 N SER A 9 11.679 -1.057 -5.457 1.00 0.00 N ATOM 112 CA SER A 9 12.174 -2.254 -4.715 1.00 0.00 C ATOM 113 C SER A 9 11.216 -2.567 -3.568 1.00 0.00 C ATOM 114 O SER A 9 10.302 -3.355 -3.704 1.00 0.00 O ATOM 115 CB SER A 9 13.560 -1.961 -4.145 1.00 0.00 C ATOM 116 OG SER A 9 14.545 -2.241 -5.131 1.00 0.00 O ATOM 0 H SER A 9 11.531 -1.196 -6.457 1.00 0.00 H new ATOM 0 HA SER A 9 12.229 -3.106 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.625 -0.918 -3.836 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.736 -2.568 -3.257 1.00 0.00 H new ATOM 0 HG SER A 9 15.435 -2.052 -4.767 1.00 0.00 H new ATOM 122 N ILE A 10 11.413 -1.941 -2.440 1.00 0.00 N ATOM 123 CA ILE A 10 10.511 -2.179 -1.274 1.00 0.00 C ATOM 124 C ILE A 10 9.819 -0.858 -0.937 1.00 0.00 C ATOM 125 O ILE A 10 10.455 0.166 -0.777 1.00 0.00 O ATOM 126 CB ILE A 10 11.316 -2.714 -0.068 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.050 -1.888 1.207 1.00 0.00 C ATOM 128 CG2 ILE A 10 12.802 -2.652 -0.397 1.00 0.00 C ATOM 129 CD1 ILE A 10 9.570 -1.988 1.605 1.00 0.00 C ATOM 0 H ILE A 10 12.164 -1.271 -2.274 1.00 0.00 H new ATOM 0 HA ILE A 10 9.763 -2.933 -1.519 1.00 0.00 H new ATOM 0 HB ILE A 10 11.002 -3.741 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.678 -2.250 2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.319 -0.845 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.378 -3.028 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.006 -3.264 -1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 10 13.087 -1.620 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.395 -1.401 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.949 -1.604 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.314 -3.030 1.796 1.00 0.00 H new ATOM 141 N CYS A 11 8.526 -0.877 -0.817 1.00 0.00 N ATOM 142 CA CYS A 11 7.804 0.371 -0.479 1.00 0.00 C ATOM 143 C CYS A 11 7.561 0.358 1.020 1.00 0.00 C ATOM 144 O CYS A 11 6.981 -0.568 1.540 1.00 0.00 O ATOM 145 CB CYS A 11 6.467 0.413 -1.220 1.00 0.00 C ATOM 146 SG CYS A 11 5.552 1.890 -0.717 1.00 0.00 S ATOM 0 H CYS A 11 7.939 -1.702 -0.938 1.00 0.00 H new ATOM 0 HA CYS A 11 8.385 1.246 -0.770 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.635 0.424 -2.297 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.886 -0.482 -0.997 1.00 0.00 H new ATOM 151 N SER A 12 8.036 1.365 1.708 1.00 0.00 N ATOM 152 CA SER A 12 7.889 1.436 3.191 1.00 0.00 C ATOM 153 C SER A 12 6.618 0.725 3.656 1.00 0.00 C ATOM 154 O SER A 12 5.590 1.340 3.860 1.00 0.00 O ATOM 155 CB SER A 12 7.836 2.904 3.614 1.00 0.00 C ATOM 156 OG SER A 12 9.146 3.453 3.565 1.00 0.00 O ATOM 0 H SER A 12 8.529 2.156 1.294 1.00 0.00 H new ATOM 0 HA SER A 12 8.743 0.938 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.171 3.461 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.430 2.990 4.622 1.00 0.00 H new ATOM 0 HG SER A 12 9.106 4.363 3.203 1.00 0.00 H new ATOM 162 N LEU A 13 6.684 -0.568 3.851 1.00 0.00 N ATOM 163 CA LEU A 13 5.485 -1.297 4.328 1.00 0.00 C ATOM 164 C LEU A 13 5.048 -0.616 5.609 1.00 0.00 C ATOM 165 O LEU A 13 3.880 -0.547 5.937 1.00 0.00 O ATOM 166 CB LEU A 13 5.838 -2.761 4.605 1.00 0.00 C ATOM 167 CG LEU A 13 4.588 -3.506 5.077 1.00 0.00 C ATOM 168 CD1 LEU A 13 4.004 -4.311 3.915 1.00 0.00 C ATOM 169 CD2 LEU A 13 4.963 -4.457 6.216 1.00 0.00 C ATOM 0 H LEU A 13 7.514 -1.142 3.700 1.00 0.00 H new ATOM 0 HA LEU A 13 4.690 -1.281 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.234 -3.228 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.618 -2.821 5.364 1.00 0.00 H new ATOM 0 HG LEU A 13 3.848 -2.787 5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.113 -4.842 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.738 -3.636 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.743 -5.030 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.073 -4.989 6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.703 -5.175 5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.380 -3.885 7.045 1.00 0.00 H new ATOM 181 N TYR A 14 5.998 -0.084 6.321 1.00 0.00 N ATOM 182 CA TYR A 14 5.670 0.637 7.580 1.00 0.00 C ATOM 183 C TYR A 14 4.898 1.902 7.217 1.00 0.00 C ATOM 184 O TYR A 14 3.915 2.247 7.844 1.00 0.00 O ATOM 185 CB TYR A 14 6.960 1.010 8.314 1.00 0.00 C ATOM 186 CG TYR A 14 6.920 0.460 9.719 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.401 -0.819 9.957 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.403 1.228 10.785 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.364 -1.328 11.260 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.367 0.719 12.089 1.00 0.00 C ATOM 191 CZ TYR A 14 6.848 -0.560 12.326 1.00 0.00 C ATOM 192 OH TYR A 14 6.812 -1.062 13.611 1.00 0.00 O ATOM 0 H TYR A 14 6.990 -0.117 6.086 1.00 0.00 H new ATOM 0 HA TYR A 14 5.069 0.003 8.232 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.822 0.610 7.781 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.075 2.094 8.340 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.029 -1.412 9.135 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.804 2.214 10.602 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.962 -2.313 11.443 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.739 1.312 12.911 1.00 0.00 H new ATOM 0 HH TYR A 14 7.187 -0.402 14.231 1.00 0.00 H new ATOM 202 N GLN A 15 5.325 2.586 6.192 1.00 0.00 N ATOM 203 CA GLN A 15 4.605 3.817 5.768 1.00 0.00 C ATOM 204 C GLN A 15 3.264 3.407 5.164 1.00 0.00 C ATOM 205 O GLN A 15 2.233 3.975 5.464 1.00 0.00 O ATOM 206 CB GLN A 15 5.432 4.567 4.722 1.00 0.00 C ATOM 207 CG GLN A 15 6.727 5.074 5.360 1.00 0.00 C ATOM 208 CD GLN A 15 6.521 6.503 5.865 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.132 7.375 5.114 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.767 6.781 7.116 1.00 0.00 N ATOM 0 H GLN A 15 6.142 2.345 5.630 1.00 0.00 H new ATOM 0 HA GLN A 15 4.447 4.471 6.626 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.661 3.909 3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.859 5.404 4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.017 4.424 6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.538 5.047 4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.094 6.049 7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.633 7.731 7.463 1.00 0.00 H new ATOM 219 N LEU A 16 3.270 2.408 4.321 1.00 0.00 N ATOM 220 CA LEU A 16 1.996 1.945 3.707 1.00 0.00 C ATOM 221 C LEU A 16 1.039 1.537 4.825 1.00 0.00 C ATOM 222 O LEU A 16 -0.103 1.950 4.863 1.00 0.00 O ATOM 223 CB LEU A 16 2.273 0.742 2.802 1.00 0.00 C ATOM 224 CG LEU A 16 3.155 1.178 1.632 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.755 -0.056 0.956 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.309 1.952 0.619 1.00 0.00 C ATOM 0 H LEU A 16 4.103 1.894 4.033 1.00 0.00 H new ATOM 0 HA LEU A 16 1.554 2.744 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.766 -0.047 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.335 0.329 2.430 1.00 0.00 H new ATOM 0 HG LEU A 16 3.958 1.816 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.384 0.256 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.357 -0.609 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.953 -0.695 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.936 2.264 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.506 1.313 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.881 2.832 1.099 1.00 0.00 H new ATOM 238 N GLU A 17 1.500 0.740 5.748 1.00 0.00 N ATOM 239 CA GLU A 17 0.623 0.323 6.870 1.00 0.00 C ATOM 240 C GLU A 17 0.342 1.541 7.750 1.00 0.00 C ATOM 241 O GLU A 17 -0.775 1.780 8.163 1.00 0.00 O ATOM 242 CB GLU A 17 1.322 -0.757 7.698 1.00 0.00 C ATOM 243 CG GLU A 17 0.278 -1.549 8.486 1.00 0.00 C ATOM 244 CD GLU A 17 0.480 -1.312 9.984 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.621 -1.316 10.416 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.510 -1.131 10.674 1.00 0.00 O ATOM 0 H GLU A 17 2.447 0.361 5.771 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.312 -0.079 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.884 -1.425 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.039 -0.300 8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.725 -1.242 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.366 -2.612 8.260 1.00 0.00 H new ATOM 253 N ASN A 18 1.354 2.317 8.033 1.00 0.00 N ATOM 254 CA ASN A 18 1.155 3.527 8.879 1.00 0.00 C ATOM 255 C ASN A 18 0.315 4.555 8.114 1.00 0.00 C ATOM 256 O ASN A 18 -0.287 5.435 8.697 1.00 0.00 O ATOM 257 CB ASN A 18 2.515 4.138 9.224 1.00 0.00 C ATOM 258 CG ASN A 18 3.274 3.201 10.165 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.685 2.579 11.028 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.566 3.072 10.035 1.00 0.00 N ATOM 0 H ASN A 18 2.311 2.164 7.714 1.00 0.00 H new ATOM 0 HA ASN A 18 0.638 3.246 9.797 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.093 4.302 8.314 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.379 5.111 9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.082 2.450 10.657 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.060 3.594 9.311 1.00 0.00 H new ATOM 267 N TYR A 19 0.266 4.449 6.813 1.00 0.00 N ATOM 268 CA TYR A 19 -0.537 5.416 6.017 1.00 0.00 C ATOM 269 C TYR A 19 -1.986 5.351 6.490 1.00 0.00 C ATOM 270 O TYR A 19 -2.544 6.324 6.957 1.00 0.00 O ATOM 271 CB TYR A 19 -0.451 5.035 4.530 1.00 0.00 C ATOM 272 CG TYR A 19 -1.621 5.618 3.766 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.813 4.891 3.643 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.511 6.883 3.180 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.892 5.432 2.933 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.589 7.424 2.471 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.780 6.699 2.347 1.00 0.00 C ATOM 278 OH TYR A 19 -4.843 7.232 1.647 1.00 0.00 O ATOM 0 H TYR A 19 0.748 3.734 6.269 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.156 6.429 6.149 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.485 5.401 4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.445 3.950 4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.899 3.914 4.096 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.593 7.443 3.275 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.811 4.872 2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.502 8.401 2.019 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.396 6.506 1.289 1.00 0.00 H new ATOM 288 N CYS A 20 -2.588 4.203 6.371 1.00 0.00 N ATOM 289 CA CYS A 20 -4.004 4.043 6.807 1.00 0.00 C ATOM 290 C CYS A 20 -4.812 5.284 6.423 1.00 0.00 C ATOM 291 O CYS A 20 -4.407 6.068 5.588 1.00 0.00 O ATOM 292 CB CYS A 20 -4.053 3.845 8.323 1.00 0.00 C ATOM 293 SG CYS A 20 -5.171 2.475 8.714 1.00 0.00 S ATOM 0 H CYS A 20 -2.158 3.361 5.988 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.435 3.172 6.313 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.054 3.635 8.706 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.395 4.758 8.809 1.00 0.00 H new ATOM 298 N ASN A 21 -5.956 5.466 7.023 1.00 0.00 N ATOM 299 CA ASN A 21 -6.791 6.655 6.692 1.00 0.00 C ATOM 300 C ASN A 21 -8.188 6.480 7.291 1.00 0.00 C ATOM 301 O ASN A 21 -8.910 7.461 7.359 1.00 0.00 O ATOM 302 CB ASN A 21 -6.902 6.795 5.172 1.00 0.00 C ATOM 303 CG ASN A 21 -6.386 8.170 4.747 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.252 8.305 4.332 1.00 0.00 O ATOM 305 ND2 ASN A 21 -7.176 9.205 4.832 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.513 5.367 7.671 1.00 0.00 O ATOM 0 H ASN A 21 -6.349 4.843 7.728 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.327 7.550 7.106 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.326 6.011 4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.939 6.672 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.841 10.126 4.550 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.128 9.093 5.180 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.047 -9.362 6.315 1.00 0.00 N ATOM 315 CA PHE B 1 11.907 -9.612 4.852 1.00 0.00 C ATOM 316 C PHE B 1 12.153 -8.310 4.086 1.00 0.00 C ATOM 317 O PHE B 1 12.160 -7.236 4.655 1.00 0.00 O ATOM 318 CB PHE B 1 10.495 -10.120 4.554 1.00 0.00 C ATOM 319 CG PHE B 1 10.124 -11.192 5.551 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.099 -12.081 6.018 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.805 -11.296 6.009 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.755 -13.075 6.942 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.461 -12.289 6.933 1.00 0.00 C ATOM 324 CZ PHE B 1 9.436 -13.179 7.400 1.00 0.00 C ATOM 0 H1 PHE B 1 11.749 -10.208 6.842 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.040 -9.148 6.537 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.450 -8.556 6.588 1.00 0.00 H new ATOM 0 HA PHE B 1 12.636 -10.360 4.540 1.00 0.00 H new ATOM 0 HB2 PHE B 1 9.782 -9.297 4.607 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.447 -10.519 3.541 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.117 -12.000 5.666 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.053 -10.610 5.649 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.507 -13.762 7.302 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.443 -12.369 7.286 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.171 -13.945 8.113 1.00 0.00 H new ATOM 336 N VAL B 2 12.354 -8.397 2.800 1.00 0.00 N ATOM 337 CA VAL B 2 12.598 -7.164 1.999 1.00 0.00 C ATOM 338 C VAL B 2 11.630 -7.125 0.816 1.00 0.00 C ATOM 339 O VAL B 2 10.899 -8.063 0.569 1.00 0.00 O ATOM 340 CB VAL B 2 14.037 -7.170 1.479 1.00 0.00 C ATOM 341 CG1 VAL B 2 15.003 -6.964 2.646 1.00 0.00 C ATOM 342 CG2 VAL B 2 14.329 -8.515 0.809 1.00 0.00 C ATOM 0 H VAL B 2 12.360 -9.268 2.269 1.00 0.00 H new ATOM 0 HA VAL B 2 12.442 -6.287 2.626 1.00 0.00 H new ATOM 0 HB VAL B 2 14.165 -6.365 0.755 1.00 0.00 H new ATOM 0 HG11 VAL B 2 16.028 -6.968 2.275 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.795 -6.008 3.126 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.876 -7.769 3.370 1.00 0.00 H new ATOM 0 HG21 VAL B 2 15.354 -8.522 0.438 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.201 -9.318 1.534 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.641 -8.664 -0.023 1.00 0.00 H new ATOM 352 N ASN B 3 11.618 -6.046 0.081 1.00 0.00 N ATOM 353 CA ASN B 3 10.697 -5.950 -1.085 1.00 0.00 C ATOM 354 C ASN B 3 9.315 -6.471 -0.685 1.00 0.00 C ATOM 355 O ASN B 3 9.036 -7.650 -0.779 1.00 0.00 O ATOM 356 CB ASN B 3 11.246 -6.792 -2.238 1.00 0.00 C ATOM 357 CG ASN B 3 11.074 -6.033 -3.555 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.041 -5.710 -4.214 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.873 -5.732 -3.967 1.00 0.00 N ATOM 0 H ASN B 3 12.206 -5.228 0.238 1.00 0.00 H new ATOM 0 HA ASN B 3 10.616 -4.910 -1.401 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.300 -7.014 -2.070 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.722 -7.747 -2.286 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.746 -5.225 -4.843 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.061 -6.004 -3.413 1.00 0.00 H new ATOM 366 N GLN B 4 8.448 -5.605 -0.238 1.00 0.00 N ATOM 367 CA GLN B 4 7.089 -6.058 0.169 1.00 0.00 C ATOM 368 C GLN B 4 6.070 -5.638 -0.890 1.00 0.00 C ATOM 369 O GLN B 4 4.960 -5.253 -0.580 1.00 0.00 O ATOM 370 CB GLN B 4 6.719 -5.428 1.513 1.00 0.00 C ATOM 371 CG GLN B 4 6.111 -6.494 2.427 1.00 0.00 C ATOM 372 CD GLN B 4 7.119 -7.627 2.631 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.999 -7.530 3.462 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.027 -8.705 1.901 1.00 0.00 N ATOM 0 H GLN B 4 8.622 -4.605 -0.137 1.00 0.00 H new ATOM 0 HA GLN B 4 7.085 -7.144 0.265 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.604 -4.996 1.980 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.009 -4.615 1.362 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.843 -6.054 3.388 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.193 -6.884 1.988 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.288 -8.787 1.203 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.694 -9.466 2.029 1.00 0.00 H new ATOM 383 N HIS B 5 6.437 -5.716 -2.138 1.00 0.00 N ATOM 384 CA HIS B 5 5.491 -5.327 -3.221 1.00 0.00 C ATOM 385 C HIS B 5 6.179 -5.469 -4.582 1.00 0.00 C ATOM 386 O HIS B 5 7.388 -5.541 -4.673 1.00 0.00 O ATOM 387 CB HIS B 5 5.049 -3.873 -3.021 1.00 0.00 C ATOM 388 CG HIS B 5 6.177 -2.946 -3.385 1.00 0.00 C ATOM 389 ND1 HIS B 5 7.373 -2.927 -2.687 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.305 -2.002 -4.374 1.00 0.00 C ATOM 391 CE1 HIS B 5 8.163 -2.001 -3.260 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.560 -1.407 -4.293 1.00 0.00 N ATOM 0 H HIS B 5 7.353 -6.033 -2.456 1.00 0.00 H new ATOM 0 HA HIS B 5 4.618 -5.979 -3.187 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.176 -3.660 -3.638 1.00 0.00 H new ATOM 0 HB3 HIS B 5 4.753 -3.712 -1.984 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.612 -3.509 -1.884 1.00 0.00 H new ATOM 0 HD2 HIS B 5 5.547 -1.759 -5.104 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.163 -1.767 -2.925 1.00 0.00 H new ATOM 400 N LEU B 6 5.415 -5.501 -5.639 1.00 0.00 N ATOM 401 CA LEU B 6 6.020 -5.629 -6.995 1.00 0.00 C ATOM 402 C LEU B 6 6.007 -4.262 -7.686 1.00 0.00 C ATOM 403 O LEU B 6 6.489 -4.111 -8.791 1.00 0.00 O ATOM 404 CB LEU B 6 5.210 -6.628 -7.824 1.00 0.00 C ATOM 405 CG LEU B 6 5.318 -8.019 -7.196 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.061 -8.309 -6.375 1.00 0.00 C ATOM 407 CD2 LEU B 6 5.455 -9.067 -8.303 1.00 0.00 C ATOM 0 H LEU B 6 4.397 -5.444 -5.622 1.00 0.00 H new ATOM 0 HA LEU B 6 7.047 -5.983 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.166 -6.318 -7.869 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.580 -6.650 -8.849 1.00 0.00 H new ATOM 0 HG LEU B 6 6.192 -8.057 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.139 -9.300 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.961 -7.563 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.186 -8.271 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.532 -10.059 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.580 -9.028 -8.952 1.00 0.00 H new ATOM 0 HD23 LEU B 6 6.351 -8.862 -8.889 1.00 0.00 H new ATOM 419 N CYS B 7 5.456 -3.267 -7.041 1.00 0.00 N ATOM 420 CA CYS B 7 5.407 -1.906 -7.649 1.00 0.00 C ATOM 421 C CYS B 7 4.444 -1.906 -8.839 1.00 0.00 C ATOM 422 O CYS B 7 4.322 -0.929 -9.551 1.00 0.00 O ATOM 423 CB CYS B 7 6.805 -1.502 -8.116 1.00 0.00 C ATOM 424 SG CYS B 7 6.792 0.230 -8.648 1.00 0.00 S ATOM 0 H CYS B 7 5.036 -3.340 -6.114 1.00 0.00 H new ATOM 0 HA CYS B 7 5.056 -1.191 -6.905 1.00 0.00 H new ATOM 0 HB2 CYS B 7 7.523 -1.639 -7.308 1.00 0.00 H new ATOM 0 HB3 CYS B 7 7.124 -2.143 -8.938 1.00 0.00 H new ATOM 429 N GLY B 8 3.752 -2.991 -9.053 1.00 0.00 N ATOM 430 CA GLY B 8 2.788 -3.052 -10.188 1.00 0.00 C ATOM 431 C GLY B 8 1.433 -3.514 -9.658 1.00 0.00 C ATOM 432 O GLY B 8 1.081 -4.673 -9.757 1.00 0.00 O ATOM 0 H GLY B 8 3.813 -3.839 -8.490 1.00 0.00 H new ATOM 0 HA2 GLY B 8 2.696 -2.073 -10.658 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.149 -3.740 -10.953 1.00 0.00 H new ATOM 436 N SER B 9 0.680 -2.615 -9.081 1.00 0.00 N ATOM 437 CA SER B 9 -0.654 -2.984 -8.520 1.00 0.00 C ATOM 438 C SER B 9 -0.468 -3.588 -7.124 1.00 0.00 C ATOM 439 O SER B 9 -1.187 -3.266 -6.199 1.00 0.00 O ATOM 440 CB SER B 9 -1.343 -4.001 -9.433 1.00 0.00 C ATOM 441 OG SER B 9 -1.121 -5.311 -8.927 1.00 0.00 O ATOM 0 H SER B 9 0.934 -1.633 -8.973 1.00 0.00 H new ATOM 0 HA SER B 9 -1.275 -2.091 -8.453 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.412 -3.795 -9.485 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.953 -3.919 -10.448 1.00 0.00 H new ATOM 0 HG SER B 9 -0.214 -5.602 -9.158 1.00 0.00 H new ATOM 447 N HIS B 10 0.492 -4.459 -6.964 1.00 0.00 N ATOM 448 CA HIS B 10 0.727 -5.080 -5.631 1.00 0.00 C ATOM 449 C HIS B 10 0.996 -3.989 -4.595 1.00 0.00 C ATOM 450 O HIS B 10 0.463 -4.009 -3.504 1.00 0.00 O ATOM 451 CB HIS B 10 1.942 -6.006 -5.711 1.00 0.00 C ATOM 452 CG HIS B 10 1.520 -7.418 -5.410 1.00 0.00 C ATOM 453 ND1 HIS B 10 0.815 -8.188 -6.321 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.698 -8.212 -4.305 1.00 0.00 C ATOM 455 CE1 HIS B 10 0.595 -9.388 -5.752 1.00 0.00 C ATOM 456 NE2 HIS B 10 1.113 -9.455 -4.522 1.00 0.00 N ATOM 0 H HIS B 10 1.125 -4.767 -7.702 1.00 0.00 H new ATOM 0 HA HIS B 10 -0.155 -5.650 -5.338 1.00 0.00 H new ATOM 0 HB2 HIS B 10 2.388 -5.953 -6.704 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.705 -5.684 -5.002 1.00 0.00 H new ATOM 0 HD2 HIS B 10 2.214 -7.916 -3.404 1.00 0.00 H new ATOM 0 HE1 HIS B 10 0.065 -10.198 -6.231 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.085 -10.247 -3.880 1.00 0.00 H new ATOM 464 N LEU B 11 1.828 -3.039 -4.925 1.00 0.00 N ATOM 465 CA LEU B 11 2.139 -1.952 -3.956 1.00 0.00 C ATOM 466 C LEU B 11 0.846 -1.256 -3.528 1.00 0.00 C ATOM 467 O LEU B 11 0.622 -1.011 -2.360 1.00 0.00 O ATOM 468 CB LEU B 11 3.070 -0.933 -4.613 1.00 0.00 C ATOM 469 CG LEU B 11 3.907 -0.243 -3.535 1.00 0.00 C ATOM 470 CD1 LEU B 11 4.651 0.944 -4.147 1.00 0.00 C ATOM 471 CD2 LEU B 11 2.987 0.253 -2.418 1.00 0.00 C ATOM 0 H LEU B 11 2.305 -2.969 -5.824 1.00 0.00 H new ATOM 0 HA LEU B 11 2.626 -2.380 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.721 -1.429 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU B 11 2.488 -0.195 -5.165 1.00 0.00 H new ATOM 0 HG LEU B 11 4.628 -0.951 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.247 1.435 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.306 0.591 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.931 1.653 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU B 11 3.582 0.745 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.266 0.961 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU B 11 2.457 -0.593 -1.981 1.00 0.00 H new ATOM 483 N VAL B 12 -0.006 -0.932 -4.461 1.00 0.00 N ATOM 484 CA VAL B 12 -1.277 -0.250 -4.093 1.00 0.00 C ATOM 485 C VAL B 12 -2.169 -1.222 -3.327 1.00 0.00 C ATOM 486 O VAL B 12 -2.676 -0.910 -2.268 1.00 0.00 O ATOM 487 CB VAL B 12 -1.996 0.222 -5.358 1.00 0.00 C ATOM 488 CG1 VAL B 12 -2.967 1.349 -5.003 1.00 0.00 C ATOM 489 CG2 VAL B 12 -0.967 0.736 -6.367 1.00 0.00 C ATOM 0 H VAL B 12 0.122 -1.109 -5.457 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.056 0.613 -3.465 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.549 -0.610 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.479 1.685 -5.904 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.700 0.984 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.414 2.182 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.478 1.073 -7.269 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.414 1.568 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.274 -0.066 -6.621 1.00 0.00 H new ATOM 499 N GLU B 13 -2.354 -2.402 -3.842 1.00 0.00 N ATOM 500 CA GLU B 13 -3.200 -3.390 -3.127 1.00 0.00 C ATOM 501 C GLU B 13 -2.658 -3.552 -1.708 1.00 0.00 C ATOM 502 O GLU B 13 -3.387 -3.841 -0.779 1.00 0.00 O ATOM 503 CB GLU B 13 -3.147 -4.735 -3.854 1.00 0.00 C ATOM 504 CG GLU B 13 -4.478 -4.984 -4.567 1.00 0.00 C ATOM 505 CD GLU B 13 -4.326 -6.152 -5.542 1.00 0.00 C ATOM 506 OE1 GLU B 13 -4.392 -7.285 -5.094 1.00 0.00 O ATOM 507 OE2 GLU B 13 -4.144 -5.894 -6.721 1.00 0.00 O ATOM 0 H GLU B 13 -1.957 -2.724 -4.725 1.00 0.00 H new ATOM 0 HA GLU B 13 -4.234 -3.046 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -2.330 -4.738 -4.575 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -2.948 -5.537 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.257 -5.205 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -4.788 -4.087 -5.103 1.00 0.00 H new ATOM 514 N ALA B 14 -1.377 -3.369 -1.537 1.00 0.00 N ATOM 515 CA ALA B 14 -0.776 -3.510 -0.184 1.00 0.00 C ATOM 516 C ALA B 14 -1.249 -2.365 0.710 1.00 0.00 C ATOM 517 O ALA B 14 -1.656 -2.568 1.836 1.00 0.00 O ATOM 518 CB ALA B 14 0.749 -3.474 -0.297 1.00 0.00 C ATOM 0 H ALA B 14 -0.721 -3.127 -2.279 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.086 -4.460 0.252 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.190 -3.577 0.695 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.086 -4.294 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.059 -2.525 -0.735 1.00 0.00 H new ATOM 524 N LEU B 15 -1.198 -1.162 0.214 1.00 0.00 N ATOM 525 CA LEU B 15 -1.641 0.003 1.030 1.00 0.00 C ATOM 526 C LEU B 15 -3.118 -0.152 1.374 1.00 0.00 C ATOM 527 O LEU B 15 -3.550 0.176 2.461 1.00 0.00 O ATOM 528 CB LEU B 15 -1.431 1.293 0.230 1.00 0.00 C ATOM 529 CG LEU B 15 -1.633 2.507 1.139 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.117 2.651 1.482 1.00 0.00 C ATOM 531 CD2 LEU B 15 -0.828 2.320 2.426 1.00 0.00 C ATOM 0 H LEU B 15 -0.868 -0.934 -0.724 1.00 0.00 H new ATOM 0 HA LEU B 15 -1.058 0.049 1.950 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.427 1.309 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.131 1.332 -0.605 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.292 3.405 0.624 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.258 3.516 2.130 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.691 2.786 0.565 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.460 1.753 1.996 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.972 3.185 3.074 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.168 1.421 2.940 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.230 2.221 2.182 1.00 0.00 H new ATOM 543 N TYR B 16 -3.899 -0.649 0.461 1.00 0.00 N ATOM 544 CA TYR B 16 -5.345 -0.821 0.753 1.00 0.00 C ATOM 545 C TYR B 16 -5.519 -1.931 1.786 1.00 0.00 C ATOM 546 O TYR B 16 -6.164 -1.758 2.800 1.00 0.00 O ATOM 547 CB TYR B 16 -6.086 -1.196 -0.532 1.00 0.00 C ATOM 548 CG TYR B 16 -6.042 -0.034 -1.496 1.00 0.00 C ATOM 549 CD1 TYR B 16 -6.250 1.269 -1.030 1.00 0.00 C ATOM 550 CD2 TYR B 16 -5.792 -0.261 -2.854 1.00 0.00 C ATOM 551 CE1 TYR B 16 -6.209 2.346 -1.924 1.00 0.00 C ATOM 552 CE2 TYR B 16 -5.751 0.815 -3.748 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.959 2.119 -3.283 1.00 0.00 C ATOM 554 OH TYR B 16 -5.919 3.181 -4.163 1.00 0.00 O ATOM 0 H TYR B 16 -3.601 -0.942 -0.470 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.753 0.111 1.144 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.628 -2.076 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -7.120 -1.456 -0.306 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.442 1.444 0.018 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -5.631 -1.267 -3.212 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.370 3.352 -1.565 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -5.559 0.639 -4.796 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.734 2.850 -5.067 1.00 0.00 H new ATOM 564 N LEU B 17 -4.945 -3.070 1.534 1.00 0.00 N ATOM 565 CA LEU B 17 -5.070 -4.199 2.496 1.00 0.00 C ATOM 566 C LEU B 17 -4.276 -3.908 3.770 1.00 0.00 C ATOM 567 O LEU B 17 -4.715 -4.199 4.865 1.00 0.00 O ATOM 568 CB LEU B 17 -4.551 -5.485 1.850 1.00 0.00 C ATOM 569 CG LEU B 17 -5.690 -6.500 1.748 1.00 0.00 C ATOM 570 CD1 LEU B 17 -6.180 -6.861 3.152 1.00 0.00 C ATOM 571 CD2 LEU B 17 -6.844 -5.892 0.948 1.00 0.00 C ATOM 0 H LEU B 17 -4.392 -3.270 0.701 1.00 0.00 H new ATOM 0 HA LEU B 17 -6.121 -4.320 2.758 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -4.151 -5.271 0.859 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -3.734 -5.898 2.442 1.00 0.00 H new ATOM 0 HG LEU B 17 -5.331 -7.398 1.246 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -6.992 -7.585 3.079 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -5.359 -7.293 3.724 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -6.539 -5.963 3.654 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -7.657 -6.615 0.875 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -7.202 -4.994 1.451 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -6.497 -5.634 -0.052 1.00 0.00 H new ATOM 583 N VAL B 18 -3.102 -3.357 3.641 1.00 0.00 N ATOM 584 CA VAL B 18 -2.281 -3.076 4.852 1.00 0.00 C ATOM 585 C VAL B 18 -3.061 -2.172 5.809 1.00 0.00 C ATOM 586 O VAL B 18 -3.165 -2.452 6.987 1.00 0.00 O ATOM 587 CB VAL B 18 -0.963 -2.403 4.449 1.00 0.00 C ATOM 588 CG1 VAL B 18 -1.202 -0.926 4.132 1.00 0.00 C ATOM 589 CG2 VAL B 18 0.035 -2.518 5.602 1.00 0.00 C ATOM 0 H VAL B 18 -2.676 -3.090 2.753 1.00 0.00 H new ATOM 0 HA VAL B 18 -2.056 -4.016 5.355 1.00 0.00 H new ATOM 0 HB VAL B 18 -0.566 -2.898 3.563 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -0.260 -0.458 3.847 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -1.913 -0.841 3.310 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.604 -0.425 5.013 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.974 -2.041 5.320 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.371 -2.025 6.485 1.00 0.00 H new ATOM 0 HG23 VAL B 18 0.215 -3.570 5.824 1.00 0.00 H new ATOM 599 N CYS B 19 -3.614 -1.092 5.326 1.00 0.00 N ATOM 600 CA CYS B 19 -4.381 -0.196 6.241 1.00 0.00 C ATOM 601 C CYS B 19 -5.325 0.702 5.442 1.00 0.00 C ATOM 602 O CYS B 19 -5.798 1.704 5.936 1.00 0.00 O ATOM 603 CB CYS B 19 -3.405 0.681 7.028 1.00 0.00 C ATOM 604 SG CYS B 19 -3.978 0.844 8.738 1.00 0.00 S ATOM 0 H CYS B 19 -3.570 -0.794 4.352 1.00 0.00 H new ATOM 0 HA CYS B 19 -4.967 -0.811 6.923 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -2.408 0.241 7.008 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.329 1.664 6.564 1.00 0.00 H new ATOM 609 N GLY B 20 -5.617 0.363 4.218 1.00 0.00 N ATOM 610 CA GLY B 20 -6.535 1.231 3.429 1.00 0.00 C ATOM 611 C GLY B 20 -7.948 0.648 3.472 1.00 0.00 C ATOM 612 O GLY B 20 -8.921 1.338 3.251 1.00 0.00 O ATOM 0 H GLY B 20 -5.266 -0.464 3.735 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -6.535 2.243 3.835 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -6.190 1.301 2.397 1.00 0.00 H new ATOM 616 N GLU B 21 -8.072 -0.616 3.761 1.00 0.00 N ATOM 617 CA GLU B 21 -9.427 -1.230 3.823 1.00 0.00 C ATOM 618 C GLU B 21 -10.339 -0.342 4.670 1.00 0.00 C ATOM 619 O GLU B 21 -11.536 -0.291 4.468 1.00 0.00 O ATOM 620 CB GLU B 21 -9.331 -2.619 4.457 1.00 0.00 C ATOM 621 CG GLU B 21 -10.683 -3.326 4.344 1.00 0.00 C ATOM 622 CD GLU B 21 -10.772 -4.045 2.996 1.00 0.00 C ATOM 623 OE1 GLU B 21 -9.829 -3.942 2.229 1.00 0.00 O ATOM 624 OE2 GLU B 21 -11.781 -4.686 2.755 1.00 0.00 O ATOM 0 H GLU B 21 -7.297 -1.249 3.956 1.00 0.00 H new ATOM 0 HA GLU B 21 -9.836 -1.323 2.817 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.559 -3.205 3.958 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.040 -2.533 5.504 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -10.800 -4.041 5.158 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -11.493 -2.602 4.436 1.00 0.00 H new ATOM 631 N ARG B 22 -9.781 0.356 5.621 1.00 0.00 N ATOM 632 CA ARG B 22 -10.607 1.237 6.483 1.00 0.00 C ATOM 633 C ARG B 22 -10.541 2.676 5.967 1.00 0.00 C ATOM 634 O ARG B 22 -11.538 3.366 5.893 1.00 0.00 O ATOM 635 CB ARG B 22 -10.082 1.185 7.919 1.00 0.00 C ATOM 636 CG ARG B 22 -11.230 1.454 8.893 1.00 0.00 C ATOM 637 CD ARG B 22 -10.742 2.369 10.018 1.00 0.00 C ATOM 638 NE ARG B 22 -10.215 1.541 11.138 1.00 0.00 N ATOM 639 CZ ARG B 22 -11.014 1.149 12.092 1.00 0.00 C ATOM 640 NH1 ARG B 22 -11.737 2.023 12.738 1.00 0.00 N ATOM 641 NH2 ARG B 22 -11.091 -0.117 12.400 1.00 0.00 N ATOM 0 H ARG B 22 -8.784 0.352 5.836 1.00 0.00 H new ATOM 0 HA ARG B 22 -11.641 0.894 6.461 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -9.641 0.209 8.121 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.294 1.925 8.056 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -12.065 1.919 8.368 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -11.597 0.515 9.307 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -9.964 3.036 9.647 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -11.560 2.998 10.370 1.00 0.00 H new ATOM 0 HE ARG B 22 -9.229 1.280 11.159 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.677 3.012 12.497 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.362 1.717 13.484 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -10.526 -0.800 11.895 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -11.716 -0.423 13.146 1.00 0.00 H new ATOM 655 N GLY B 23 -9.373 3.134 5.613 1.00 0.00 N ATOM 656 CA GLY B 23 -9.241 4.531 5.106 1.00 0.00 C ATOM 657 C GLY B 23 -9.181 4.523 3.577 1.00 0.00 C ATOM 658 O GLY B 23 -8.570 5.378 2.966 1.00 0.00 O ATOM 0 H GLY B 23 -8.503 2.603 5.652 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.086 5.131 5.443 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -8.341 4.992 5.512 1.00 0.00 H new ATOM 662 N PHE B 24 -9.807 3.564 2.954 1.00 0.00 N ATOM 663 CA PHE B 24 -9.783 3.501 1.464 1.00 0.00 C ATOM 664 C PHE B 24 -10.903 2.581 0.971 1.00 0.00 C ATOM 665 O PHE B 24 -10.847 2.049 -0.120 1.00 0.00 O ATOM 666 CB PHE B 24 -8.435 2.946 1.003 1.00 0.00 C ATOM 667 CG PHE B 24 -7.603 4.059 0.413 1.00 0.00 C ATOM 668 CD1 PHE B 24 -8.186 4.982 -0.463 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.247 4.168 0.744 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.414 6.014 -1.009 1.00 0.00 C ATOM 671 CE2 PHE B 24 -5.474 5.200 0.198 1.00 0.00 C ATOM 672 CZ PHE B 24 -6.058 6.123 -0.678 1.00 0.00 C ATOM 0 H PHE B 24 -10.335 2.820 3.411 1.00 0.00 H new ATOM 0 HA PHE B 24 -9.928 4.501 1.056 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -7.910 2.493 1.844 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -8.588 2.161 0.262 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -9.232 4.898 -0.718 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.797 3.456 1.420 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.864 6.726 -1.685 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.428 5.284 0.452 1.00 0.00 H new ATOM 0 HZ PHE B 24 -5.462 6.919 -1.099 1.00 0.00 H new ATOM 682 N PHE B 25 -11.918 2.388 1.766 1.00 0.00 N ATOM 683 CA PHE B 25 -13.038 1.500 1.344 1.00 0.00 C ATOM 684 C PHE B 25 -14.034 2.298 0.501 1.00 0.00 C ATOM 685 O PHE B 25 -14.404 3.405 0.840 1.00 0.00 O ATOM 686 CB PHE B 25 -13.748 0.951 2.584 1.00 0.00 C ATOM 687 CG PHE B 25 -14.563 -0.262 2.202 1.00 0.00 C ATOM 688 CD1 PHE B 25 -15.717 -0.114 1.423 1.00 0.00 C ATOM 689 CD2 PHE B 25 -14.164 -1.535 2.628 1.00 0.00 C ATOM 690 CE1 PHE B 25 -16.472 -1.239 1.071 1.00 0.00 C ATOM 691 CE2 PHE B 25 -14.920 -2.660 2.275 1.00 0.00 C ATOM 692 CZ PHE B 25 -16.074 -2.512 1.496 1.00 0.00 C ATOM 0 H PHE B 25 -12.021 2.807 2.690 1.00 0.00 H new ATOM 0 HA PHE B 25 -12.642 0.674 0.754 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -13.017 0.685 3.347 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -14.394 1.716 3.015 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -16.024 0.868 1.094 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -13.274 -1.649 3.229 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.363 -1.125 0.471 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -14.613 -3.642 2.604 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.657 -3.379 1.223 1.00 0.00 H new ATOM 702 N TYR B 26 -14.473 1.745 -0.596 1.00 0.00 N ATOM 703 CA TYR B 26 -15.447 2.470 -1.460 1.00 0.00 C ATOM 704 C TYR B 26 -16.562 1.511 -1.889 1.00 0.00 C ATOM 705 O TYR B 26 -16.335 0.327 -2.039 1.00 0.00 O ATOM 706 CB TYR B 26 -14.734 3.013 -2.702 1.00 0.00 C ATOM 707 CG TYR B 26 -13.582 2.107 -3.070 1.00 0.00 C ATOM 708 CD1 TYR B 26 -13.828 0.787 -3.467 1.00 0.00 C ATOM 709 CD2 TYR B 26 -12.269 2.588 -3.014 1.00 0.00 C ATOM 710 CE1 TYR B 26 -12.760 -0.051 -3.808 1.00 0.00 C ATOM 711 CE2 TYR B 26 -11.201 1.750 -3.354 1.00 0.00 C ATOM 712 CZ TYR B 26 -11.446 0.430 -3.751 1.00 0.00 C ATOM 713 OH TYR B 26 -10.393 -0.396 -4.087 1.00 0.00 O ATOM 0 H TYR B 26 -14.199 0.822 -0.932 1.00 0.00 H new ATOM 0 HA TYR B 26 -15.876 3.301 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -15.435 3.081 -3.534 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -14.368 4.022 -2.510 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -14.841 0.416 -3.510 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -12.080 3.606 -2.708 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -12.949 -1.069 -4.115 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -10.188 2.122 -3.310 1.00 0.00 H new ATOM 0 HH TYR B 26 -9.550 0.095 -3.994 1.00 0.00 H new ATOM 723 N PRO B 27 -17.737 2.057 -2.072 1.00 0.00 N ATOM 724 CA PRO B 27 -18.918 1.280 -2.486 1.00 0.00 C ATOM 725 C PRO B 27 -18.864 0.989 -3.989 1.00 0.00 C ATOM 726 O PRO B 27 -18.131 1.617 -4.726 1.00 0.00 O ATOM 727 CB PRO B 27 -20.091 2.205 -2.151 1.00 0.00 C ATOM 728 CG PRO B 27 -19.515 3.640 -2.105 1.00 0.00 C ATOM 729 CD PRO B 27 -17.997 3.499 -1.884 1.00 0.00 C ATOM 0 HA PRO B 27 -18.991 0.312 -1.991 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -20.876 2.125 -2.903 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -20.538 1.935 -1.194 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -19.723 4.171 -3.034 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -19.972 4.215 -1.300 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -17.433 4.102 -2.596 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -17.707 3.829 -0.887 1.00 0.00 H new ATOM 737 N THR B 28 -19.636 0.042 -4.447 1.00 0.00 N ATOM 738 CA THR B 28 -19.628 -0.285 -5.901 1.00 0.00 C ATOM 739 C THR B 28 -18.303 -0.958 -6.265 1.00 0.00 C ATOM 740 O THR B 28 -17.456 -0.374 -6.910 1.00 0.00 O ATOM 741 CB THR B 28 -19.786 1.002 -6.714 1.00 0.00 C ATOM 742 OG1 THR B 28 -20.355 2.012 -5.892 1.00 0.00 O ATOM 743 CG2 THR B 28 -20.699 0.743 -7.913 1.00 0.00 C ATOM 0 H THR B 28 -20.271 -0.519 -3.879 1.00 0.00 H new ATOM 0 HA THR B 28 -20.453 -0.961 -6.126 1.00 0.00 H new ATOM 0 HB THR B 28 -18.809 1.329 -7.070 1.00 0.00 H new ATOM 0 HG1 THR B 28 -20.455 2.838 -6.410 1.00 0.00 H new ATOM 0 HG21 THR B 28 -20.810 1.661 -8.491 1.00 0.00 H new ATOM 0 HG22 THR B 28 -20.261 -0.031 -8.543 1.00 0.00 H new ATOM 0 HG23 THR B 28 -21.677 0.415 -7.561 1.00 0.00 H new ATOM 751 N LYS B 29 -18.117 -2.184 -5.856 1.00 0.00 N ATOM 752 CA LYS B 29 -16.847 -2.891 -6.180 1.00 0.00 C ATOM 753 C LYS B 29 -17.105 -3.928 -7.275 1.00 0.00 C ATOM 754 O LYS B 29 -17.841 -4.876 -7.085 1.00 0.00 O ATOM 755 CB LYS B 29 -16.320 -3.593 -4.927 1.00 0.00 C ATOM 756 CG LYS B 29 -14.790 -3.569 -4.933 1.00 0.00 C ATOM 757 CD LYS B 29 -14.255 -4.955 -4.567 1.00 0.00 C ATOM 758 CE LYS B 29 -12.924 -4.809 -3.829 1.00 0.00 C ATOM 759 NZ LYS B 29 -13.181 -4.448 -2.406 1.00 0.00 N ATOM 0 H LYS B 29 -18.789 -2.725 -5.312 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.109 -2.169 -6.530 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.698 -3.097 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.678 -4.622 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.424 -3.275 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.425 -2.828 -4.222 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.975 -5.481 -3.940 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.120 -5.554 -5.468 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.362 -5.741 -3.883 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.314 -4.041 -4.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.362 -3.933 -2.025 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -14.026 -3.845 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.335 -5.314 -1.851 1.00 0.00 H new ATOM 773 N THR B 30 -16.504 -3.756 -8.421 1.00 0.00 N ATOM 774 CA THR B 30 -16.715 -4.732 -9.527 1.00 0.00 C ATOM 775 C THR B 30 -15.404 -4.929 -10.290 1.00 0.00 C ATOM 776 O THR B 30 -14.561 -5.662 -9.800 1.00 0.00 O ATOM 777 CB THR B 30 -17.785 -4.197 -10.482 1.00 0.00 C ATOM 778 OG1 THR B 30 -17.852 -5.030 -11.630 1.00 0.00 O ATOM 779 CG2 THR B 30 -17.429 -2.770 -10.903 1.00 0.00 C ATOM 780 OXT THR B 30 -15.265 -4.344 -11.352 1.00 0.00 O ATOM 0 H THR B 30 -15.876 -2.982 -8.639 1.00 0.00 H new ATOM 0 HA THR B 30 -17.041 -5.686 -9.113 1.00 0.00 H new ATOM 0 HB THR B 30 -18.752 -4.193 -9.979 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.075 -4.861 -12.203 1.00 0.00 H new ATOM 0 HG21 THR B 30 -18.192 -2.390 -11.583 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.379 -2.132 -10.021 1.00 0.00 H new ATOM 0 HG23 THR B 30 -16.462 -2.770 -11.406 1.00 0.00 H new TER 788 THR B 30