USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= -1.54 K(o=-1.5,f=0.64) USER MOD Set 1.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.341 (180deg=0.0215) USER MOD Single : A 5 GLN : amide:sc=-0.000441 K(o=-0.00044,f=-1.3) USER MOD Single : A 9 SER OG : rot 180:sc= 0.156 USER MOD Single : A 12 SER OG : rot 93:sc= 0.04 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0938 X(o=-0.094,f=-0.079) USER MOD Single : A 21 ASN : amide:sc= -0.662 K(o=-0.66,f=-0.056) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -2.84! K(o=-2.8!,f=-0.39) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.49) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0426 X(o=-0.043,f=-0.012) USER MOD Single : B 16 TYR OH : rot 165:sc= 0 USER MOD Single : B 26 TYR OH : rot 137:sc= 0 USER MOD Single : B 27 THR OG1 : rot 144:sc= -0.559 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.583 24.784 -8.728 1.00 0.00 N ATOM 2 CA GLY A 1 -19.963 24.283 -8.570 1.00 0.00 C ATOM 3 C GLY A 1 -20.570 23.842 -9.897 1.00 0.00 C ATOM 4 O GLY A 1 -19.935 23.836 -10.953 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.980 24.382 -7.982 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.216 24.502 -9.659 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.580 25.821 -8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.966 23.444 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.583 25.064 -8.130 1.00 0.00 H new ATOM 10 N ILE A 2 -21.794 23.329 -9.807 1.00 0.00 N ATOM 11 CA ILE A 2 -22.237 22.089 -10.427 1.00 0.00 C ATOM 12 C ILE A 2 -23.744 21.993 -10.709 1.00 0.00 C ATOM 13 O ILE A 2 -24.427 20.971 -10.670 1.00 0.00 O ATOM 14 CB ILE A 2 -21.831 21.098 -9.366 1.00 0.00 C ATOM 15 CG1 ILE A 2 -21.546 19.708 -9.901 1.00 0.00 C ATOM 16 CG2 ILE A 2 -22.883 21.150 -8.242 1.00 0.00 C ATOM 17 CD1 ILE A 2 -20.624 19.087 -8.859 1.00 0.00 C ATOM 0 H ILE A 2 -22.534 23.788 -9.276 1.00 0.00 H new ATOM 0 HA ILE A 2 -21.810 21.950 -11.420 1.00 0.00 H new ATOM 0 HB ILE A 2 -20.864 21.383 -8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -22.463 19.130 -10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -21.070 19.748 -10.881 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -22.614 20.441 -7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.920 22.156 -7.824 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -23.861 20.890 -8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -20.362 18.073 -9.163 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -19.717 19.685 -8.773 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -21.132 19.057 -7.895 1.00 0.00 H new ATOM 29 N VAL A 3 -24.235 23.189 -10.841 1.00 0.00 N ATOM 30 CA VAL A 3 -25.544 23.719 -10.460 1.00 0.00 C ATOM 31 C VAL A 3 -26.652 23.304 -11.402 1.00 0.00 C ATOM 32 O VAL A 3 -27.832 23.176 -11.128 1.00 0.00 O ATOM 33 CB VAL A 3 -25.409 25.262 -10.446 1.00 0.00 C ATOM 34 CG1 VAL A 3 -26.715 26.049 -10.410 1.00 0.00 C ATOM 35 CG2 VAL A 3 -24.595 25.742 -9.250 1.00 0.00 C ATOM 0 H VAL A 3 -23.668 23.920 -11.271 1.00 0.00 H new ATOM 0 HA VAL A 3 -25.822 23.318 -9.485 1.00 0.00 H new ATOM 0 HB VAL A 3 -24.920 25.459 -11.400 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -26.496 27.117 -10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -27.310 25.806 -11.290 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -27.273 25.787 -9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -24.521 26.829 -9.273 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -25.086 25.431 -8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -23.595 25.309 -9.293 1.00 0.00 H new ATOM 45 N GLU A 4 -26.100 23.286 -12.591 1.00 0.00 N ATOM 46 CA GLU A 4 -26.600 23.726 -13.857 1.00 0.00 C ATOM 47 C GLU A 4 -26.585 22.692 -14.978 1.00 0.00 C ATOM 48 O GLU A 4 -27.505 22.410 -15.742 1.00 0.00 O ATOM 49 CB GLU A 4 -25.694 24.925 -14.140 1.00 0.00 C ATOM 50 CG GLU A 4 -24.140 24.815 -14.075 1.00 0.00 C ATOM 51 CD GLU A 4 -23.438 26.170 -14.268 1.00 0.00 C ATOM 52 OE1 GLU A 4 -23.891 27.100 -14.908 1.00 0.00 O ATOM 53 OE2 GLU A 4 -22.246 26.291 -13.633 1.00 0.00 O ATOM 0 H GLU A 4 -25.159 22.908 -12.698 1.00 0.00 H new ATOM 0 HA GLU A 4 -27.666 23.952 -13.818 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -25.943 25.279 -15.140 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -25.984 25.711 -13.442 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -23.850 24.395 -13.112 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -23.797 24.121 -14.842 1.00 0.00 H new ATOM 61 N GLN A 5 -25.465 22.041 -14.833 1.00 0.00 N ATOM 62 CA GLN A 5 -25.176 20.643 -14.950 1.00 0.00 C ATOM 63 C GLN A 5 -26.391 19.752 -14.611 1.00 0.00 C ATOM 64 O GLN A 5 -26.747 18.834 -15.353 1.00 0.00 O ATOM 65 CB GLN A 5 -24.054 20.402 -13.915 1.00 0.00 C ATOM 66 CG GLN A 5 -22.849 21.369 -13.829 1.00 0.00 C ATOM 67 CD GLN A 5 -22.141 21.753 -15.143 1.00 0.00 C ATOM 68 OE1 GLN A 5 -22.409 21.223 -16.220 1.00 0.00 O ATOM 69 NE2 GLN A 5 -21.232 22.702 -15.110 1.00 0.00 N ATOM 0 H GLN A 5 -24.616 22.555 -14.597 1.00 0.00 H new ATOM 0 HA GLN A 5 -24.900 20.387 -15.973 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -24.522 20.382 -12.931 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -23.655 19.405 -14.099 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -23.190 22.288 -13.351 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -22.107 20.922 -13.167 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.997 23.153 -14.226 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -20.762 22.988 -15.969 1.00 0.00 H new ATOM 78 N CYS A 6 -27.050 20.095 -13.497 1.00 0.00 N ATOM 79 CA CYS A 6 -28.319 19.562 -13.010 1.00 0.00 C ATOM 80 C CYS A 6 -29.576 20.168 -13.607 1.00 0.00 C ATOM 81 O CYS A 6 -30.586 19.502 -13.759 1.00 0.00 O ATOM 82 CB CYS A 6 -28.401 19.832 -11.509 1.00 0.00 C ATOM 83 SG CYS A 6 -27.398 18.771 -10.458 1.00 0.00 S ATOM 0 H CYS A 6 -26.678 20.807 -12.868 1.00 0.00 H new ATOM 0 HA CYS A 6 -28.305 18.510 -13.296 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -28.109 20.867 -11.330 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -29.442 19.736 -11.200 1.00 0.00 H new ATOM 88 N CYS A 7 -29.539 21.476 -13.820 1.00 0.00 N ATOM 89 CA CYS A 7 -30.692 22.291 -14.177 1.00 0.00 C ATOM 90 C CYS A 7 -31.114 22.100 -15.662 1.00 0.00 C ATOM 91 O CYS A 7 -32.208 22.459 -16.089 1.00 0.00 O ATOM 92 CB CYS A 7 -30.233 23.681 -13.747 1.00 0.00 C ATOM 93 SG CYS A 7 -31.409 24.921 -13.134 1.00 0.00 S ATOM 0 H CYS A 7 -28.677 22.017 -13.747 1.00 0.00 H new ATOM 0 HA CYS A 7 -31.631 22.030 -13.688 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -29.485 23.540 -12.966 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -29.722 24.124 -14.602 1.00 0.00 H new ATOM 98 N ALA A 8 -30.256 21.416 -16.437 1.00 0.00 N ATOM 99 CA ALA A 8 -30.586 20.346 -17.401 1.00 0.00 C ATOM 100 C ALA A 8 -31.494 19.249 -16.827 1.00 0.00 C ATOM 101 O ALA A 8 -32.324 19.423 -15.945 1.00 0.00 O ATOM 102 CB ALA A 8 -29.188 19.836 -17.813 1.00 0.00 C ATOM 0 H ALA A 8 -29.254 21.604 -16.408 1.00 0.00 H new ATOM 0 HA ALA A 8 -31.181 20.701 -18.242 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.294 19.028 -18.537 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -28.620 20.652 -18.261 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.661 19.468 -16.933 1.00 0.00 H new ATOM 108 N SER A 9 -31.370 18.086 -17.449 1.00 0.00 N ATOM 109 CA SER A 9 -31.673 16.772 -16.892 1.00 0.00 C ATOM 110 C SER A 9 -30.667 16.345 -15.813 1.00 0.00 C ATOM 111 O SER A 9 -29.894 17.068 -15.200 1.00 0.00 O ATOM 112 CB SER A 9 -31.603 15.844 -18.087 1.00 0.00 C ATOM 113 OG SER A 9 -32.354 14.646 -17.932 1.00 0.00 O ATOM 0 H SER A 9 -31.036 18.029 -18.411 1.00 0.00 H new ATOM 0 HA SER A 9 -32.642 16.761 -16.393 1.00 0.00 H new ATOM 0 HB2 SER A 9 -31.963 16.375 -18.968 1.00 0.00 H new ATOM 0 HB3 SER A 9 -30.561 15.586 -18.274 1.00 0.00 H new ATOM 0 HG SER A 9 -32.265 14.097 -18.739 1.00 0.00 H new ATOM 119 N VAL A 10 -30.730 15.041 -15.680 1.00 0.00 N ATOM 120 CA VAL A 10 -30.712 14.238 -14.491 1.00 0.00 C ATOM 121 C VAL A 10 -29.338 14.135 -13.775 1.00 0.00 C ATOM 122 O VAL A 10 -28.320 13.974 -14.459 1.00 0.00 O ATOM 123 CB VAL A 10 -31.347 12.918 -14.970 1.00 0.00 C ATOM 124 CG1 VAL A 10 -30.465 12.146 -15.953 1.00 0.00 C ATOM 125 CG2 VAL A 10 -31.906 12.127 -13.826 1.00 0.00 C ATOM 0 H VAL A 10 -30.804 14.451 -16.509 1.00 0.00 H new ATOM 0 HA VAL A 10 -31.272 14.680 -13.666 1.00 0.00 H new ATOM 0 HB VAL A 10 -32.216 13.166 -15.579 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -30.970 11.227 -16.251 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -30.279 12.760 -16.834 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -29.517 11.900 -15.475 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -32.345 11.203 -14.203 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -31.107 11.889 -13.124 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -32.673 12.713 -13.319 1.00 0.00 H new ATOM 135 N CYS A 11 -29.284 14.283 -12.448 1.00 0.00 N ATOM 136 CA CYS A 11 -28.029 14.471 -11.678 1.00 0.00 C ATOM 137 C CYS A 11 -28.020 13.964 -10.213 1.00 0.00 C ATOM 138 O CYS A 11 -29.058 13.755 -9.588 1.00 0.00 O ATOM 139 CB CYS A 11 -27.662 15.973 -11.731 1.00 0.00 C ATOM 140 SG CYS A 11 -28.449 17.016 -10.464 1.00 0.00 S ATOM 0 H CYS A 11 -30.118 14.277 -11.860 1.00 0.00 H new ATOM 0 HA CYS A 11 -27.287 13.834 -12.161 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.580 16.069 -11.635 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -27.930 16.360 -12.714 1.00 0.00 H new ATOM 145 N SER A 12 -26.802 13.762 -9.687 1.00 0.00 N ATOM 146 CA SER A 12 -26.382 13.110 -8.503 1.00 0.00 C ATOM 147 C SER A 12 -26.364 13.982 -7.264 1.00 0.00 C ATOM 148 O SER A 12 -26.938 15.054 -7.142 1.00 0.00 O ATOM 149 CB SER A 12 -25.001 12.582 -8.901 1.00 0.00 C ATOM 150 OG SER A 12 -24.726 12.367 -10.293 1.00 0.00 O ATOM 0 H SER A 12 -25.988 14.121 -10.186 1.00 0.00 H new ATOM 0 HA SER A 12 -27.077 12.331 -8.189 1.00 0.00 H new ATOM 0 HB2 SER A 12 -24.256 13.281 -8.520 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.845 11.636 -8.382 1.00 0.00 H new ATOM 0 HG SER A 12 -24.310 13.169 -10.672 1.00 0.00 H new ATOM 156 N LEU A 13 -25.708 13.334 -6.336 1.00 0.00 N ATOM 157 CA LEU A 13 -25.415 13.535 -4.925 1.00 0.00 C ATOM 158 C LEU A 13 -24.110 14.247 -4.751 1.00 0.00 C ATOM 159 O LEU A 13 -23.958 14.909 -3.757 1.00 0.00 O ATOM 160 CB LEU A 13 -25.262 12.095 -4.404 1.00 0.00 C ATOM 161 CG LEU A 13 -26.373 11.054 -4.763 1.00 0.00 C ATOM 162 CD1 LEU A 13 -27.723 11.654 -5.134 1.00 0.00 C ATOM 163 CD2 LEU A 13 -25.963 10.051 -5.836 1.00 0.00 C ATOM 0 H LEU A 13 -25.270 12.457 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 13 -26.176 14.126 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -24.312 11.708 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -25.188 12.141 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 13 -26.495 10.525 -3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -28.426 10.854 -5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -28.103 12.239 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -27.607 12.299 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -26.788 9.365 -6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -25.713 10.582 -6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -25.094 9.488 -5.495 1.00 0.00 H new ATOM 175 N TYR A 14 -23.248 14.134 -5.761 1.00 0.00 N ATOM 176 CA TYR A 14 -21.906 14.768 -5.925 1.00 0.00 C ATOM 177 C TYR A 14 -21.670 15.833 -6.930 1.00 0.00 C ATOM 178 O TYR A 14 -20.640 16.477 -7.047 1.00 0.00 O ATOM 179 CB TYR A 14 -21.228 13.566 -6.475 1.00 0.00 C ATOM 180 CG TYR A 14 -19.752 13.389 -6.519 1.00 0.00 C ATOM 181 CD1 TYR A 14 -19.318 13.237 -5.194 1.00 0.00 C ATOM 182 CD2 TYR A 14 -19.519 12.355 -7.418 1.00 0.00 C ATOM 183 CE1 TYR A 14 -19.147 11.904 -4.731 1.00 0.00 C ATOM 184 CE2 TYR A 14 -20.010 11.171 -6.881 1.00 0.00 C ATOM 185 CZ TYR A 14 -19.608 10.856 -5.556 1.00 0.00 C ATOM 186 OH TYR A 14 -19.976 9.678 -4.989 1.00 0.00 O ATOM 0 H TYR A 14 -23.475 13.549 -6.565 1.00 0.00 H new ATOM 0 HA TYR A 14 -21.627 15.276 -5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -21.620 12.715 -5.919 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -21.577 13.463 -7.502 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -19.124 14.088 -4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -19.035 12.455 -8.378 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -18.680 11.700 -3.779 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -20.665 10.522 -7.444 1.00 0.00 H new ATOM 0 HH TYR A 14 -20.271 9.057 -5.687 1.00 0.00 H new ATOM 196 N GLN A 15 -22.801 16.073 -7.484 1.00 0.00 N ATOM 197 CA GLN A 15 -23.297 17.446 -7.560 1.00 0.00 C ATOM 198 C GLN A 15 -23.257 18.071 -6.154 1.00 0.00 C ATOM 199 O GLN A 15 -22.514 18.956 -5.768 1.00 0.00 O ATOM 200 CB GLN A 15 -24.674 17.337 -8.151 1.00 0.00 C ATOM 201 CG GLN A 15 -24.804 16.429 -9.362 1.00 0.00 C ATOM 202 CD GLN A 15 -23.988 16.813 -10.603 1.00 0.00 C ATOM 203 OE1 GLN A 15 -24.460 17.438 -11.542 1.00 0.00 O ATOM 204 NE2 GLN A 15 -22.723 16.456 -10.662 1.00 0.00 N ATOM 0 H GLN A 15 -23.412 15.366 -7.893 1.00 0.00 H new ATOM 0 HA GLN A 15 -22.696 18.107 -8.184 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -25.353 16.979 -7.378 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -25.008 18.336 -8.432 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -24.515 15.421 -9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -25.856 16.389 -9.646 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -22.304 15.934 -9.892 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.161 16.701 -11.477 1.00 0.00 H new ATOM 213 N LEU A 16 -24.027 17.397 -5.346 1.00 0.00 N ATOM 214 CA LEU A 16 -24.592 17.783 -4.090 1.00 0.00 C ATOM 215 C LEU A 16 -23.785 17.620 -2.810 1.00 0.00 C ATOM 216 O LEU A 16 -24.216 18.052 -1.746 1.00 0.00 O ATOM 217 CB LEU A 16 -25.951 17.056 -4.260 1.00 0.00 C ATOM 218 CG LEU A 16 -26.957 17.685 -5.218 1.00 0.00 C ATOM 219 CD1 LEU A 16 -28.310 17.122 -4.908 1.00 0.00 C ATOM 220 CD2 LEU A 16 -26.835 19.190 -5.414 1.00 0.00 C ATOM 0 H LEU A 16 -24.305 16.446 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 16 -24.654 18.855 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -25.751 16.039 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -26.420 16.980 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.720 17.395 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -29.048 17.557 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -28.293 16.040 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.575 17.358 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.599 19.529 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -26.971 19.694 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.848 19.426 -5.812 1.00 0.00 H new ATOM 232 N GLU A 17 -22.580 17.111 -2.924 1.00 0.00 N ATOM 233 CA GLU A 17 -21.505 17.017 -1.916 1.00 0.00 C ATOM 234 C GLU A 17 -20.423 18.048 -2.149 1.00 0.00 C ATOM 235 O GLU A 17 -19.792 18.536 -1.204 1.00 0.00 O ATOM 236 CB GLU A 17 -20.703 15.743 -2.200 1.00 0.00 C ATOM 237 CG GLU A 17 -21.566 14.536 -2.208 1.00 0.00 C ATOM 238 CD GLU A 17 -20.919 13.195 -1.834 1.00 0.00 C ATOM 239 OE1 GLU A 17 -19.832 13.036 -1.269 1.00 0.00 O ATOM 240 OE2 GLU A 17 -21.671 12.120 -2.204 1.00 0.00 O ATOM 0 H GLU A 17 -22.280 16.706 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.991 17.099 -0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.201 15.837 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.925 15.628 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -22.395 14.712 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -21.993 14.436 -3.206 1.00 0.00 H new ATOM 248 N ASN A 18 -20.105 18.204 -3.430 1.00 0.00 N ATOM 249 CA ASN A 18 -18.826 18.607 -3.901 1.00 0.00 C ATOM 250 C ASN A 18 -18.467 20.014 -3.380 1.00 0.00 C ATOM 251 O ASN A 18 -17.378 20.342 -2.906 1.00 0.00 O ATOM 252 CB ASN A 18 -19.079 18.445 -5.393 1.00 0.00 C ATOM 253 CG ASN A 18 -17.864 18.170 -6.260 1.00 0.00 C ATOM 254 OD1 ASN A 18 -17.825 17.388 -7.205 1.00 0.00 O ATOM 255 ND2 ASN A 18 -16.891 18.905 -5.886 1.00 0.00 N ATOM 0 H ASN A 18 -20.774 18.041 -4.183 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.945 18.055 -3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.789 17.630 -5.532 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -19.560 19.352 -5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.002 18.867 -6.384 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -17.002 19.531 -5.089 1.00 0.00 H new ATOM 262 N TYR A 19 -19.505 20.812 -3.491 1.00 0.00 N ATOM 263 CA TYR A 19 -19.758 22.161 -3.077 1.00 0.00 C ATOM 264 C TYR A 19 -20.049 22.366 -1.595 1.00 0.00 C ATOM 265 O TYR A 19 -19.337 23.060 -0.874 1.00 0.00 O ATOM 266 CB TYR A 19 -21.024 22.405 -3.902 1.00 0.00 C ATOM 267 CG TYR A 19 -20.688 22.826 -5.268 1.00 0.00 C ATOM 268 CD1 TYR A 19 -19.750 23.856 -5.292 1.00 0.00 C ATOM 269 CD2 TYR A 19 -20.583 21.719 -6.112 1.00 0.00 C ATOM 270 CE1 TYR A 19 -18.496 23.444 -5.695 1.00 0.00 C ATOM 271 CE2 TYR A 19 -19.424 21.528 -6.797 1.00 0.00 C ATOM 272 CZ TYR A 19 -18.285 22.312 -6.535 1.00 0.00 C ATOM 273 OH TYR A 19 -17.047 21.916 -6.877 1.00 0.00 O ATOM 0 H TYR A 19 -20.335 20.452 -3.961 1.00 0.00 H new ATOM 0 HA TYR A 19 -18.902 22.819 -3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -21.622 21.494 -3.935 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -21.634 23.170 -3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -19.981 24.876 -5.022 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -21.406 21.028 -6.219 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.636 24.004 -5.359 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.377 20.761 -7.556 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.104 21.126 -7.454 1.00 0.00 H new ATOM 283 N CYS A 20 -21.145 21.717 -1.244 1.00 0.00 N ATOM 284 CA CYS A 20 -21.855 21.690 0.037 1.00 0.00 C ATOM 285 C CYS A 20 -20.924 21.828 1.262 1.00 0.00 C ATOM 286 O CYS A 20 -21.141 22.710 2.092 1.00 0.00 O ATOM 287 CB CYS A 20 -22.506 20.314 0.020 1.00 0.00 C ATOM 288 SG CYS A 20 -22.889 19.550 1.632 1.00 0.00 S ATOM 0 H CYS A 20 -21.619 21.125 -1.926 1.00 0.00 H new ATOM 0 HA CYS A 20 -22.548 22.526 0.134 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -23.434 20.387 -0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -21.850 19.637 -0.527 1.00 0.00 H new ATOM 293 N ASN A 21 -19.902 20.960 1.326 1.00 0.00 N ATOM 294 CA ASN A 21 -18.980 20.734 2.428 1.00 0.00 C ATOM 295 C ASN A 21 -18.071 21.936 2.757 1.00 0.00 C ATOM 296 O ASN A 21 -18.199 22.445 3.886 1.00 0.00 O ATOM 297 CB ASN A 21 -18.210 19.482 1.974 1.00 0.00 C ATOM 298 CG ASN A 21 -17.173 18.959 2.956 1.00 0.00 C ATOM 299 OD1 ASN A 21 -17.305 17.891 3.541 1.00 0.00 O ATOM 300 ND2 ASN A 21 -16.110 19.693 3.191 1.00 0.00 N ATOM 301 OXT ASN A 21 -17.146 22.262 1.975 1.00 0.00 O ATOM 0 H ASN A 21 -19.690 20.351 0.536 1.00 0.00 H new ATOM 0 HA ASN A 21 -19.496 20.597 3.378 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -18.929 18.687 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -17.711 19.706 1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.405 19.372 3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.989 20.584 2.710 1.00 0.00 H new TER 308 ASN A 21 ATOM 309 N PHE B 1 -30.663 4.493 -5.088 1.00 0.00 N ATOM 310 CA PHE B 1 -30.193 5.672 -4.318 1.00 0.00 C ATOM 311 C PHE B 1 -31.306 6.724 -4.219 1.00 0.00 C ATOM 312 O PHE B 1 -32.173 6.619 -3.350 1.00 0.00 O ATOM 313 CB PHE B 1 -28.821 6.209 -4.841 1.00 0.00 C ATOM 314 CG PHE B 1 -28.102 6.847 -3.706 1.00 0.00 C ATOM 315 CD1 PHE B 1 -28.093 8.233 -3.487 1.00 0.00 C ATOM 316 CD2 PHE B 1 -27.954 5.935 -2.672 1.00 0.00 C ATOM 317 CE1 PHE B 1 -28.123 8.692 -2.163 1.00 0.00 C ATOM 318 CE2 PHE B 1 -28.349 6.388 -1.427 1.00 0.00 C ATOM 319 CZ PHE B 1 -28.341 7.757 -1.122 1.00 0.00 C ATOM 0 H1 PHE B 1 -29.899 3.790 -5.147 1.00 0.00 H new ATOM 0 H2 PHE B 1 -31.485 4.072 -4.611 1.00 0.00 H new ATOM 0 H3 PHE B 1 -30.934 4.790 -6.047 1.00 0.00 H new ATOM 0 HA PHE B 1 -29.980 5.367 -3.294 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -28.228 5.394 -5.255 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -28.977 6.929 -5.644 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -28.064 8.926 -4.315 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -27.559 4.942 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -27.982 9.740 -1.941 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -28.668 5.678 -0.679 1.00 0.00 H new ATOM 0 HZ PHE B 1 -28.499 8.093 -0.108 1.00 0.00 H new ATOM 331 N VAL B 2 -31.276 7.765 -5.066 1.00 0.00 N ATOM 332 CA VAL B 2 -32.065 9.009 -4.919 1.00 0.00 C ATOM 333 C VAL B 2 -32.606 9.596 -6.220 1.00 0.00 C ATOM 334 O VAL B 2 -33.658 10.236 -6.270 1.00 0.00 O ATOM 335 CB VAL B 2 -31.138 10.057 -4.301 1.00 0.00 C ATOM 336 CG1 VAL B 2 -31.393 11.555 -4.529 1.00 0.00 C ATOM 337 CG2 VAL B 2 -31.097 9.904 -2.778 1.00 0.00 C ATOM 0 H VAL B 2 -30.686 7.769 -5.898 1.00 0.00 H new ATOM 0 HA VAL B 2 -32.934 8.755 -4.312 1.00 0.00 H new ATOM 0 HB VAL B 2 -30.222 9.824 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -30.630 12.137 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -31.353 11.773 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -32.377 11.820 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -30.433 10.657 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -32.100 10.035 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -30.729 8.911 -2.522 1.00 0.00 H new ATOM 347 N ASN B 3 -31.736 9.476 -7.211 1.00 0.00 N ATOM 348 CA ASN B 3 -31.538 10.460 -8.273 1.00 0.00 C ATOM 349 C ASN B 3 -32.803 10.783 -9.105 1.00 0.00 C ATOM 350 O ASN B 3 -33.764 10.029 -9.207 1.00 0.00 O ATOM 351 CB ASN B 3 -30.472 9.979 -9.255 1.00 0.00 C ATOM 352 CG ASN B 3 -29.036 10.214 -8.904 1.00 0.00 C ATOM 353 OD1 ASN B 3 -28.185 10.623 -9.678 1.00 0.00 O ATOM 354 ND2 ASN B 3 -28.774 9.790 -7.715 1.00 0.00 N ATOM 0 H ASN B 3 -31.126 8.664 -7.304 1.00 0.00 H new ATOM 0 HA ASN B 3 -31.242 11.367 -7.745 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -30.610 8.907 -9.399 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -30.663 10.457 -10.216 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -27.812 9.785 -7.376 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -29.529 9.460 -7.113 1.00 0.00 H new ATOM 361 N GLN B 4 -32.685 11.972 -9.695 1.00 0.00 N ATOM 362 CA GLN B 4 -33.656 12.922 -10.163 1.00 0.00 C ATOM 363 C GLN B 4 -32.993 13.986 -11.013 1.00 0.00 C ATOM 364 O GLN B 4 -31.832 14.041 -11.377 1.00 0.00 O ATOM 365 CB GLN B 4 -34.322 13.570 -8.916 1.00 0.00 C ATOM 366 CG GLN B 4 -33.627 14.804 -8.317 1.00 0.00 C ATOM 367 CD GLN B 4 -33.999 15.014 -6.839 1.00 0.00 C ATOM 368 OE1 GLN B 4 -34.693 15.944 -6.470 1.00 0.00 O ATOM 369 NE2 GLN B 4 -33.514 14.137 -5.968 1.00 0.00 N ATOM 0 H GLN B 4 -31.748 12.332 -9.876 1.00 0.00 H new ATOM 0 HA GLN B 4 -34.403 12.423 -10.780 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -35.341 13.851 -9.183 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -34.395 12.811 -8.137 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -32.547 14.691 -8.406 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -33.903 15.689 -8.890 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -32.934 13.363 -6.293 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -33.721 14.237 -4.974 1.00 0.00 H new ATOM 378 N HIS B 5 -33.915 14.836 -11.329 1.00 0.00 N ATOM 379 CA HIS B 5 -34.078 15.539 -12.572 1.00 0.00 C ATOM 380 C HIS B 5 -33.530 16.945 -12.472 1.00 0.00 C ATOM 381 O HIS B 5 -32.784 17.460 -13.299 1.00 0.00 O ATOM 382 CB HIS B 5 -35.609 15.496 -12.798 1.00 0.00 C ATOM 383 CG HIS B 5 -36.152 14.755 -13.996 1.00 0.00 C ATOM 384 ND1 HIS B 5 -35.241 13.891 -14.564 1.00 0.00 N ATOM 385 CD2 HIS B 5 -37.214 13.954 -13.671 1.00 0.00 C ATOM 386 CE1 HIS B 5 -35.317 12.865 -13.736 1.00 0.00 C ATOM 387 NE2 HIS B 5 -36.632 12.710 -13.511 1.00 0.00 N ATOM 0 H HIS B 5 -34.646 15.083 -10.662 1.00 0.00 H new ATOM 0 HA HIS B 5 -33.532 15.100 -13.407 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -36.061 15.058 -11.908 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -35.961 16.526 -12.861 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -38.253 14.227 -13.565 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -34.504 12.281 -13.331 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -37.109 11.842 -13.269 1.00 0.00 H new ATOM 395 N LEU B 6 -34.073 17.530 -11.418 1.00 0.00 N ATOM 396 CA LEU B 6 -34.469 18.921 -11.400 1.00 0.00 C ATOM 397 C LEU B 6 -33.393 19.999 -11.180 1.00 0.00 C ATOM 398 O LEU B 6 -32.226 19.768 -10.890 1.00 0.00 O ATOM 399 CB LEU B 6 -35.713 19.116 -10.498 1.00 0.00 C ATOM 400 CG LEU B 6 -37.045 19.586 -11.144 1.00 0.00 C ATOM 401 CD1 LEU B 6 -37.477 20.911 -10.510 1.00 0.00 C ATOM 402 CD2 LEU B 6 -37.063 19.766 -12.659 1.00 0.00 C ATOM 0 H LEU B 6 -34.252 17.042 -10.540 1.00 0.00 H new ATOM 0 HA LEU B 6 -34.717 19.119 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -35.907 18.168 -9.996 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -35.449 19.838 -9.725 1.00 0.00 H new ATOM 0 HG LEU B 6 -37.729 18.760 -10.946 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -38.412 21.243 -10.962 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -37.621 20.772 -9.439 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -36.706 21.663 -10.678 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -38.053 20.096 -12.974 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -36.323 20.513 -12.945 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -36.826 18.817 -13.141 1.00 0.00 H new ATOM 414 N CYS B 7 -33.923 21.198 -11.340 1.00 0.00 N ATOM 415 CA CYS B 7 -33.276 22.497 -11.456 1.00 0.00 C ATOM 416 C CYS B 7 -33.490 23.372 -10.198 1.00 0.00 C ATOM 417 O CYS B 7 -34.209 22.987 -9.267 1.00 0.00 O ATOM 418 CB CYS B 7 -33.963 23.019 -12.720 1.00 0.00 C ATOM 419 SG CYS B 7 -33.308 24.424 -13.688 1.00 0.00 S ATOM 0 H CYS B 7 -34.936 21.298 -11.399 1.00 0.00 H new ATOM 0 HA CYS B 7 -32.188 22.482 -11.526 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -34.035 22.175 -13.406 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -34.980 23.285 -12.434 1.00 0.00 H new ATOM 424 N GLY B 8 -32.876 24.565 -10.107 1.00 0.00 N ATOM 425 CA GLY B 8 -33.087 25.482 -8.975 1.00 0.00 C ATOM 426 C GLY B 8 -32.257 25.222 -7.724 1.00 0.00 C ATOM 427 O GLY B 8 -31.304 24.448 -7.658 1.00 0.00 O ATOM 0 H GLY B 8 -32.226 24.917 -10.809 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -32.882 26.497 -9.316 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -34.141 25.446 -8.699 1.00 0.00 H new ATOM 431 N SER B 9 -32.729 25.920 -6.711 1.00 0.00 N ATOM 432 CA SER B 9 -32.242 26.087 -5.322 1.00 0.00 C ATOM 433 C SER B 9 -33.164 25.534 -4.288 1.00 0.00 C ATOM 434 O SER B 9 -33.471 26.040 -3.209 1.00 0.00 O ATOM 435 CB SER B 9 -31.988 27.564 -5.109 1.00 0.00 C ATOM 436 OG SER B 9 -30.862 27.998 -5.865 1.00 0.00 O ATOM 0 H SER B 9 -33.581 26.465 -6.844 1.00 0.00 H new ATOM 0 HA SER B 9 -31.326 25.508 -5.200 1.00 0.00 H new ATOM 0 HB2 SER B 9 -32.869 28.135 -5.401 1.00 0.00 H new ATOM 0 HB3 SER B 9 -31.818 27.759 -4.050 1.00 0.00 H new ATOM 0 HG SER B 9 -30.716 28.955 -5.715 1.00 0.00 H new ATOM 442 N HIS B 10 -33.516 24.368 -4.727 1.00 0.00 N ATOM 443 CA HIS B 10 -34.548 23.489 -4.247 1.00 0.00 C ATOM 444 C HIS B 10 -34.321 22.031 -4.162 1.00 0.00 C ATOM 445 O HIS B 10 -34.902 21.279 -3.398 1.00 0.00 O ATOM 446 CB HIS B 10 -35.588 23.738 -5.324 1.00 0.00 C ATOM 447 CG HIS B 10 -36.926 23.915 -4.741 1.00 0.00 C ATOM 448 ND1 HIS B 10 -38.166 23.365 -5.021 1.00 0.00 N ATOM 449 CD2 HIS B 10 -37.040 24.867 -3.804 1.00 0.00 C ATOM 450 CE1 HIS B 10 -39.021 23.987 -4.179 1.00 0.00 C ATOM 451 NE2 HIS B 10 -38.374 24.921 -3.444 1.00 0.00 N ATOM 0 H HIS B 10 -33.032 23.956 -5.525 1.00 0.00 H new ATOM 0 HA HIS B 10 -34.746 23.714 -3.199 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.317 24.626 -5.896 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -35.600 22.901 -6.022 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -36.242 25.476 -3.406 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -40.076 23.769 -4.103 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -38.791 25.546 -2.755 1.00 0.00 H new ATOM 459 N LEU B 11 -33.275 21.833 -4.864 1.00 0.00 N ATOM 460 CA LEU B 11 -32.121 21.062 -4.469 1.00 0.00 C ATOM 461 C LEU B 11 -30.747 21.706 -4.318 1.00 0.00 C ATOM 462 O LEU B 11 -29.683 21.161 -4.545 1.00 0.00 O ATOM 463 CB LEU B 11 -32.216 19.771 -5.258 1.00 0.00 C ATOM 464 CG LEU B 11 -32.214 19.906 -6.804 1.00 0.00 C ATOM 465 CD1 LEU B 11 -33.627 20.176 -7.378 1.00 0.00 C ATOM 466 CD2 LEU B 11 -31.350 21.060 -7.343 1.00 0.00 C ATOM 0 H LEU B 11 -33.176 22.225 -5.800 1.00 0.00 H new ATOM 0 HA LEU B 11 -32.181 20.899 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -31.381 19.132 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -33.129 19.255 -4.961 1.00 0.00 H new ATOM 0 HG LEU B 11 -31.809 18.945 -7.120 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -33.569 20.262 -8.463 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -34.290 19.352 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -34.018 21.104 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -31.407 21.080 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -31.716 22.006 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -30.314 20.913 -7.037 1.00 0.00 H new ATOM 478 N VAL B 12 -30.903 22.831 -3.657 1.00 0.00 N ATOM 479 CA VAL B 12 -30.298 23.236 -2.418 1.00 0.00 C ATOM 480 C VAL B 12 -31.128 22.971 -1.252 1.00 0.00 C ATOM 481 O VAL B 12 -30.583 22.882 -0.188 1.00 0.00 O ATOM 482 CB VAL B 12 -30.271 24.759 -2.500 1.00 0.00 C ATOM 483 CG1 VAL B 12 -30.665 25.619 -1.312 1.00 0.00 C ATOM 484 CG2 VAL B 12 -29.313 25.199 -3.566 1.00 0.00 C ATOM 0 H VAL B 12 -31.523 23.557 -4.016 1.00 0.00 H new ATOM 0 HA VAL B 12 -29.348 22.714 -2.306 1.00 0.00 H new ATOM 0 HB VAL B 12 -31.240 25.130 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -30.576 26.672 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -31.696 25.401 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -30.006 25.402 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -29.301 26.288 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -28.313 24.835 -3.329 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -29.628 24.794 -4.528 1.00 0.00 H new ATOM 494 N GLU B 13 -32.419 22.879 -1.453 1.00 0.00 N ATOM 495 CA GLU B 13 -33.387 22.732 -0.355 1.00 0.00 C ATOM 496 C GLU B 13 -34.129 21.434 -0.188 1.00 0.00 C ATOM 497 O GLU B 13 -34.843 21.136 0.766 1.00 0.00 O ATOM 498 CB GLU B 13 -34.184 24.018 -0.301 1.00 0.00 C ATOM 499 CG GLU B 13 -35.688 23.879 -0.498 1.00 0.00 C ATOM 500 CD GLU B 13 -36.427 25.217 -0.410 1.00 0.00 C ATOM 501 OE1 GLU B 13 -35.879 26.331 -0.379 1.00 0.00 O ATOM 502 OE2 GLU B 13 -37.778 25.138 -0.336 1.00 0.00 O ATOM 0 H GLU B 13 -32.846 22.902 -2.379 1.00 0.00 H new ATOM 0 HA GLU B 13 -32.828 22.598 0.571 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -34.006 24.492 0.664 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -33.798 24.694 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -35.882 23.426 -1.470 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -36.087 23.199 0.255 1.00 0.00 H new ATOM 510 N ALA B 14 -33.623 20.636 -1.063 1.00 0.00 N ATOM 511 CA ALA B 14 -33.219 19.274 -0.782 1.00 0.00 C ATOM 512 C ALA B 14 -31.866 19.174 -0.161 1.00 0.00 C ATOM 513 O ALA B 14 -31.640 18.318 0.669 1.00 0.00 O ATOM 514 CB ALA B 14 -33.086 18.612 -2.120 1.00 0.00 C ATOM 0 H ALA B 14 -33.468 20.910 -2.033 1.00 0.00 H new ATOM 0 HA ALA B 14 -33.947 18.835 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -32.782 17.574 -1.984 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -34.044 18.644 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -32.335 19.136 -2.712 1.00 0.00 H new ATOM 520 N LEU B 15 -30.907 19.992 -0.589 1.00 0.00 N ATOM 521 CA LEU B 15 -29.554 19.609 -0.310 1.00 0.00 C ATOM 522 C LEU B 15 -29.237 19.961 1.154 1.00 0.00 C ATOM 523 O LEU B 15 -28.691 19.167 1.908 1.00 0.00 O ATOM 524 CB LEU B 15 -28.743 20.008 -1.575 1.00 0.00 C ATOM 525 CG LEU B 15 -27.378 20.640 -1.425 1.00 0.00 C ATOM 526 CD1 LEU B 15 -27.440 22.003 -0.778 1.00 0.00 C ATOM 527 CD2 LEU B 15 -26.641 19.765 -0.507 1.00 0.00 C ATOM 0 H LEU B 15 -31.040 20.866 -1.097 1.00 0.00 H new ATOM 0 HA LEU B 15 -29.254 18.564 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -28.620 19.109 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -29.359 20.698 -2.152 1.00 0.00 H new ATOM 0 HG LEU B 15 -26.923 20.755 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.433 22.412 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -28.052 22.668 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -27.880 21.914 0.216 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -25.638 20.163 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -27.164 19.716 0.448 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -26.572 18.765 -0.935 1.00 0.00 H new ATOM 539 N TYR B 16 -29.772 21.075 1.599 1.00 0.00 N ATOM 540 CA TYR B 16 -30.100 21.436 2.988 1.00 0.00 C ATOM 541 C TYR B 16 -30.460 20.287 3.912 1.00 0.00 C ATOM 542 O TYR B 16 -30.067 20.200 5.081 1.00 0.00 O ATOM 543 CB TYR B 16 -31.343 22.256 2.779 1.00 0.00 C ATOM 544 CG TYR B 16 -31.817 23.240 3.813 1.00 0.00 C ATOM 545 CD1 TYR B 16 -32.509 24.192 3.081 1.00 0.00 C ATOM 546 CD2 TYR B 16 -30.758 23.678 4.611 1.00 0.00 C ATOM 547 CE1 TYR B 16 -31.676 25.071 2.382 1.00 0.00 C ATOM 548 CE2 TYR B 16 -29.985 24.708 4.065 1.00 0.00 C ATOM 549 CZ TYR B 16 -30.427 25.445 2.942 1.00 0.00 C ATOM 550 OH TYR B 16 -29.574 26.264 2.255 1.00 0.00 O ATOM 0 H TYR B 16 -30.016 21.827 0.954 1.00 0.00 H new ATOM 0 HA TYR B 16 -29.242 21.902 3.471 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -31.204 22.812 1.852 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -32.161 21.555 2.610 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -33.587 24.249 3.053 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -30.550 23.252 5.581 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -31.981 25.462 1.423 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -29.030 24.945 4.511 1.00 0.00 H new ATOM 0 HH TYR B 16 -28.889 26.609 2.865 1.00 0.00 H new ATOM 560 N LEU B 17 -31.264 19.405 3.351 1.00 0.00 N ATOM 561 CA LEU B 17 -31.991 18.356 4.006 1.00 0.00 C ATOM 562 C LEU B 17 -31.305 16.981 4.017 1.00 0.00 C ATOM 563 O LEU B 17 -31.689 16.057 4.746 1.00 0.00 O ATOM 564 CB LEU B 17 -33.375 18.414 3.370 1.00 0.00 C ATOM 565 CG LEU B 17 -34.160 19.683 3.725 1.00 0.00 C ATOM 566 CD1 LEU B 17 -35.630 19.533 3.321 1.00 0.00 C ATOM 567 CD2 LEU B 17 -34.163 20.088 5.204 1.00 0.00 C ATOM 0 H LEU B 17 -31.433 19.412 2.345 1.00 0.00 H new ATOM 0 HA LEU B 17 -32.047 18.512 5.083 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -33.271 18.352 2.287 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -33.948 17.542 3.686 1.00 0.00 H new ATOM 0 HG LEU B 17 -33.631 20.460 3.173 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -36.173 20.442 3.580 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -35.697 19.364 2.246 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -36.068 18.686 3.849 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -34.749 20.998 5.331 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -34.602 19.288 5.800 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -33.140 20.266 5.534 1.00 0.00 H new ATOM 579 N VAL B 18 -30.270 16.944 3.220 1.00 0.00 N ATOM 580 CA VAL B 18 -29.398 15.832 2.923 1.00 0.00 C ATOM 581 C VAL B 18 -28.062 15.938 3.615 1.00 0.00 C ATOM 582 O VAL B 18 -27.611 15.096 4.395 1.00 0.00 O ATOM 583 CB VAL B 18 -29.291 15.868 1.399 1.00 0.00 C ATOM 584 CG1 VAL B 18 -28.099 15.152 0.818 1.00 0.00 C ATOM 585 CG2 VAL B 18 -30.580 15.394 0.800 1.00 0.00 C ATOM 0 H VAL B 18 -29.985 17.779 2.708 1.00 0.00 H new ATOM 0 HA VAL B 18 -29.785 14.881 3.289 1.00 0.00 H new ATOM 0 HB VAL B 18 -29.113 16.909 1.128 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -28.117 15.238 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -27.183 15.600 1.202 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -28.134 14.100 1.100 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -30.507 15.419 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -30.780 14.374 1.127 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -31.393 16.044 1.124 1.00 0.00 H new ATOM 595 N CYS B 19 -27.430 17.012 3.217 1.00 0.00 N ATOM 596 CA CYS B 19 -26.012 17.330 3.320 1.00 0.00 C ATOM 597 C CYS B 19 -25.761 18.128 4.587 1.00 0.00 C ATOM 598 O CYS B 19 -24.782 17.894 5.330 1.00 0.00 O ATOM 599 CB CYS B 19 -25.740 18.127 2.044 1.00 0.00 C ATOM 600 SG CYS B 19 -24.060 17.905 1.340 1.00 0.00 S ATOM 0 H CYS B 19 -27.941 17.770 2.764 1.00 0.00 H new ATOM 0 HA CYS B 19 -25.354 16.464 3.394 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -26.475 17.842 1.291 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -25.893 19.185 2.254 1.00 0.00 H new ATOM 605 N GLY B 20 -26.756 18.952 4.905 1.00 0.00 N ATOM 606 CA GLY B 20 -27.144 19.271 6.282 1.00 0.00 C ATOM 607 C GLY B 20 -26.632 20.614 6.808 1.00 0.00 C ATOM 608 O GLY B 20 -27.260 21.654 6.628 1.00 0.00 O ATOM 0 H GLY B 20 -27.326 19.426 4.204 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -28.232 19.264 6.347 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -26.781 18.480 6.938 1.00 0.00 H new ATOM 612 N GLU B 21 -25.463 20.522 7.455 1.00 0.00 N ATOM 613 CA GLU B 21 -24.413 21.495 7.689 1.00 0.00 C ATOM 614 C GLU B 21 -24.606 23.023 7.621 1.00 0.00 C ATOM 615 O GLU B 21 -25.667 23.627 7.723 1.00 0.00 O ATOM 616 CB GLU B 21 -23.318 20.931 6.762 1.00 0.00 C ATOM 617 CG GLU B 21 -22.328 20.131 7.589 1.00 0.00 C ATOM 618 CD GLU B 21 -21.200 19.436 6.807 1.00 0.00 C ATOM 619 OE1 GLU B 21 -21.002 19.523 5.593 1.00 0.00 O ATOM 620 OE2 GLU B 21 -20.378 18.686 7.579 1.00 0.00 O ATOM 0 H GLU B 21 -25.207 19.632 7.883 1.00 0.00 H new ATOM 0 HA GLU B 21 -24.229 21.555 8.762 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -23.764 20.298 5.995 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -22.807 21.744 6.247 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -21.876 20.798 8.323 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -22.879 19.372 8.144 1.00 0.00 H new ATOM 628 N ARG B 22 -23.408 23.608 7.542 1.00 0.00 N ATOM 629 CA ARG B 22 -22.996 24.979 7.162 1.00 0.00 C ATOM 630 C ARG B 22 -24.026 25.870 6.448 1.00 0.00 C ATOM 631 O ARG B 22 -24.813 26.566 7.091 1.00 0.00 O ATOM 632 CB ARG B 22 -21.694 24.759 6.424 1.00 0.00 C ATOM 633 CG ARG B 22 -20.616 24.231 7.402 1.00 0.00 C ATOM 634 CD ARG B 22 -19.982 22.957 6.890 1.00 0.00 C ATOM 635 NE ARG B 22 -19.038 22.374 7.844 1.00 0.00 N ATOM 636 CZ ARG B 22 -17.930 21.717 7.596 1.00 0.00 C ATOM 637 NH1 ARG B 22 -17.463 21.560 6.396 1.00 0.00 N ATOM 638 NH2 ARG B 22 -17.258 21.181 8.578 1.00 0.00 N ATOM 0 H ARG B 22 -22.581 23.058 7.775 1.00 0.00 H new ATOM 0 HA ARG B 22 -22.885 25.605 8.047 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -21.842 24.046 5.613 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.360 25.693 5.971 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -19.847 24.991 7.543 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -21.066 24.048 8.378 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -20.764 22.230 6.668 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -19.465 23.164 5.953 1.00 0.00 H new ATOM 0 HE ARG B 22 -19.272 22.494 8.830 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -17.962 21.955 5.599 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -16.597 21.041 6.250 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -17.595 21.273 9.536 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -16.396 20.670 8.387 1.00 0.00 H new ATOM 652 N GLY B 23 -24.024 25.849 5.126 1.00 0.00 N ATOM 653 CA GLY B 23 -24.990 26.476 4.229 1.00 0.00 C ATOM 654 C GLY B 23 -24.796 26.223 2.743 1.00 0.00 C ATOM 655 O GLY B 23 -24.661 27.145 1.918 1.00 0.00 O ATOM 0 H GLY B 23 -23.294 25.358 4.610 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -25.987 26.133 4.507 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -24.965 27.552 4.398 1.00 0.00 H new ATOM 659 N PHE B 24 -24.860 24.936 2.467 1.00 0.00 N ATOM 660 CA PHE B 24 -25.834 24.282 1.578 1.00 0.00 C ATOM 661 C PHE B 24 -26.055 25.021 0.273 1.00 0.00 C ATOM 662 O PHE B 24 -26.881 25.947 0.161 1.00 0.00 O ATOM 663 CB PHE B 24 -27.053 23.961 2.462 1.00 0.00 C ATOM 664 CG PHE B 24 -26.739 22.869 3.467 1.00 0.00 C ATOM 665 CD1 PHE B 24 -25.882 23.247 4.517 1.00 0.00 C ATOM 666 CD2 PHE B 24 -26.510 21.678 2.780 1.00 0.00 C ATOM 667 CE1 PHE B 24 -24.566 22.770 4.432 1.00 0.00 C ATOM 668 CE2 PHE B 24 -25.195 21.403 2.535 1.00 0.00 C ATOM 669 CZ PHE B 24 -24.181 21.892 3.392 1.00 0.00 C ATOM 0 H PHE B 24 -24.203 24.270 2.873 1.00 0.00 H new ATOM 0 HA PHE B 24 -25.475 23.340 1.165 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -27.369 24.862 2.989 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -27.887 23.650 1.834 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -26.217 23.865 5.337 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -27.310 21.024 2.466 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -23.838 23.076 5.169 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -24.926 20.805 1.677 1.00 0.00 H new ATOM 0 HZ PHE B 24 -23.149 21.605 3.257 1.00 0.00 H new ATOM 679 N PHE B 25 -25.218 24.695 -0.697 1.00 0.00 N ATOM 680 CA PHE B 25 -24.261 25.595 -1.180 1.00 0.00 C ATOM 681 C PHE B 25 -24.732 26.717 -2.061 1.00 0.00 C ATOM 682 O PHE B 25 -24.575 27.907 -1.812 1.00 0.00 O ATOM 683 CB PHE B 25 -23.305 24.604 -1.897 1.00 0.00 C ATOM 684 CG PHE B 25 -21.967 25.174 -1.919 1.00 0.00 C ATOM 685 CD1 PHE B 25 -21.571 25.438 -0.626 1.00 0.00 C ATOM 686 CD2 PHE B 25 -21.763 26.053 -2.997 1.00 0.00 C ATOM 687 CE1 PHE B 25 -21.371 26.797 -0.338 1.00 0.00 C ATOM 688 CE2 PHE B 25 -21.322 27.342 -2.704 1.00 0.00 C ATOM 689 CZ PHE B 25 -21.168 27.738 -1.358 1.00 0.00 C ATOM 0 H PHE B 25 -25.207 23.784 -1.156 1.00 0.00 H new ATOM 0 HA PHE B 25 -23.829 26.201 -0.383 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -23.298 23.645 -1.379 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -23.651 24.415 -2.913 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -21.426 24.660 0.109 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -21.942 25.741 -4.015 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -21.373 27.125 0.691 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -21.099 28.034 -3.502 1.00 0.00 H new ATOM 0 HZ PHE B 25 -20.897 28.755 -1.116 1.00 0.00 H new ATOM 699 N TYR B 26 -25.278 26.152 -3.127 1.00 0.00 N ATOM 700 CA TYR B 26 -24.820 26.325 -4.508 1.00 0.00 C ATOM 701 C TYR B 26 -24.283 27.693 -4.936 1.00 0.00 C ATOM 702 O TYR B 26 -24.576 28.776 -4.421 1.00 0.00 O ATOM 703 CB TYR B 26 -25.875 25.867 -5.467 1.00 0.00 C ATOM 704 CG TYR B 26 -25.777 24.501 -6.089 1.00 0.00 C ATOM 705 CD1 TYR B 26 -24.489 23.981 -6.306 1.00 0.00 C ATOM 706 CD2 TYR B 26 -26.772 23.629 -5.642 1.00 0.00 C ATOM 707 CE1 TYR B 26 -24.145 22.841 -5.589 1.00 0.00 C ATOM 708 CE2 TYR B 26 -26.296 23.010 -4.492 1.00 0.00 C ATOM 709 CZ TYR B 26 -25.021 22.414 -4.552 1.00 0.00 C ATOM 710 OH TYR B 26 -24.555 21.677 -3.520 1.00 0.00 O ATOM 0 H TYR B 26 -26.086 25.534 -3.057 1.00 0.00 H new ATOM 0 HA TYR B 26 -23.930 25.697 -4.538 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -26.832 25.920 -4.948 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -25.913 26.592 -6.280 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -23.800 24.445 -6.996 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -27.734 23.466 -6.105 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -23.240 22.296 -5.812 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -26.882 22.987 -3.585 1.00 0.00 H new ATOM 0 HH TYR B 26 -24.934 22.013 -2.681 1.00 0.00 H new ATOM 720 N THR B 27 -23.537 27.606 -6.019 1.00 0.00 N ATOM 721 CA THR B 27 -22.629 28.600 -6.563 1.00 0.00 C ATOM 722 C THR B 27 -23.252 29.575 -7.565 1.00 0.00 C ATOM 723 O THR B 27 -24.276 29.248 -8.177 1.00 0.00 O ATOM 724 CB THR B 27 -21.495 27.825 -7.234 1.00 0.00 C ATOM 725 OG1 THR B 27 -21.919 26.948 -8.235 1.00 0.00 O ATOM 726 CG2 THR B 27 -20.764 26.952 -6.216 1.00 0.00 C ATOM 0 H THR B 27 -23.551 26.763 -6.593 1.00 0.00 H new ATOM 0 HA THR B 27 -22.297 29.234 -5.741 1.00 0.00 H new ATOM 0 HB THR B 27 -20.862 28.599 -7.668 1.00 0.00 H new ATOM 0 HG1 THR B 27 -21.259 26.934 -8.959 1.00 0.00 H new ATOM 0 HG21 THR B 27 -19.961 26.408 -6.713 1.00 0.00 H new ATOM 0 HG22 THR B 27 -20.345 27.582 -5.431 1.00 0.00 H new ATOM 0 HG23 THR B 27 -21.464 26.242 -5.776 1.00 0.00 H new ATOM 734 N PRO B 28 -22.631 30.758 -7.818 1.00 0.00 N ATOM 735 CA PRO B 28 -23.004 31.631 -8.926 1.00 0.00 C ATOM 736 C PRO B 28 -22.731 30.977 -10.285 1.00 0.00 C ATOM 737 O PRO B 28 -21.776 30.204 -10.438 1.00 0.00 O ATOM 738 CB PRO B 28 -22.162 32.901 -8.723 1.00 0.00 C ATOM 739 CG PRO B 28 -20.930 32.390 -7.997 1.00 0.00 C ATOM 740 CD PRO B 28 -21.498 31.317 -7.096 1.00 0.00 C ATOM 0 HA PRO B 28 -24.072 31.847 -8.931 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -21.904 33.369 -9.673 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -22.695 33.648 -8.134 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -20.190 31.988 -8.689 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -20.439 33.179 -7.428 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -20.753 30.551 -6.882 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -21.811 31.734 -6.139 1.00 0.00 H new ATOM 748 N LYS B 29 -23.563 31.315 -11.284 1.00 0.00 N ATOM 749 CA LYS B 29 -23.430 30.801 -12.672 1.00 0.00 C ATOM 750 C LYS B 29 -22.416 31.585 -13.535 1.00 0.00 C ATOM 751 O LYS B 29 -22.134 31.165 -14.659 1.00 0.00 O ATOM 752 CB LYS B 29 -24.811 30.694 -13.338 1.00 0.00 C ATOM 753 CG LYS B 29 -25.733 29.691 -12.611 1.00 0.00 C ATOM 754 CD LYS B 29 -27.083 29.505 -13.327 1.00 0.00 C ATOM 755 CE LYS B 29 -26.927 28.862 -14.707 1.00 0.00 C ATOM 756 NZ LYS B 29 -28.219 28.482 -15.316 1.00 0.00 N ATOM 0 H LYS B 29 -24.350 31.952 -11.160 1.00 0.00 H new ATOM 0 HA LYS B 29 -23.006 29.800 -12.598 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -25.284 31.676 -13.350 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -24.689 30.386 -14.376 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -25.229 28.727 -12.537 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -25.910 30.037 -11.593 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -27.735 28.885 -12.712 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -27.571 30.474 -13.433 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -26.410 29.556 -15.369 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -26.298 27.976 -14.620 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -28.050 28.052 -16.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -28.704 27.797 -14.702 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -28.813 29.329 -15.427 1.00 0.00 H new ATOM 770 N ALA B 30 -21.875 32.690 -12.997 1.00 0.00 N ATOM 771 CA ALA B 30 -20.924 33.589 -13.665 1.00 0.00 C ATOM 772 C ALA B 30 -19.744 33.991 -12.741 1.00 0.00 C ATOM 773 O ALA B 30 -18.570 33.934 -13.195 1.00 0.00 O ATOM 774 CB ALA B 30 -21.681 34.814 -14.190 1.00 0.00 C ATOM 775 OXT ALA B 30 -20.002 34.314 -11.559 1.00 0.00 O ATOM 0 H ALA B 30 -22.097 32.992 -12.048 1.00 0.00 H new ATOM 0 HA ALA B 30 -20.473 33.060 -14.504 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -20.983 35.487 -14.688 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -22.444 34.494 -14.899 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -22.155 35.333 -13.357 1.00 0.00 H new TER 781 ALA B 30