USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 375 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 12 SER OG : rot 72:sc= 0.731 USER MOD Set 1.2: B 1 PHE N :NH3+ 142:sc= 0.446 (180deg=-0.0129) USER MOD Set 2.1: A 1 GLY N :NH3+ -152:sc= 1.06 (180deg=0.313) USER MOD Set 2.2: A 19 TYR OH : rot 43:sc= 1.05 USER MOD Set 2.3: B 27 THR OG1 : rot 16:sc= 0.51 USER MOD Single : A 5 GLN : amide:sc= -0.0782 X(o=-0.078,f=0) USER MOD Single : A 9 SER OG : rot 42:sc= 1.17 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.443 K(o=-0.44,f=-3.9!) USER MOD Single : A 18 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.15) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.126 F(o=-0.93,f=-0.13) USER MOD Single : B 3 ASN : amide:sc=-0.00831 X(o=-0.0083,f=-0.45) USER MOD Single : B 4 GLN : amide:sc= -0.0717 K(o=-0.072,f=-3.4!) USER MOD Single : B 5 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.51) USER MOD Single : B 9 SER OG : rot -70:sc= 1.26 USER MOD Single : B 10 HIS : no HD1:sc= 0.297 K(o=0.3,f=-2.6!) 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 29 LYS NZ :NH3+ -150:sc= 1.07 (180deg=0.0746) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.685 26.993 -10.638 1.00 0.00 N ATOM 2 CA GLY A 1 -22.990 26.306 -10.589 1.00 0.00 C ATOM 3 C GLY A 1 -22.817 24.823 -10.861 1.00 0.00 C ATOM 4 O GLY A 1 -21.740 24.413 -11.294 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.711 27.831 -10.023 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.940 26.346 -10.311 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.484 27.287 -11.615 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.449 26.452 -9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.665 26.741 -11.326 1.00 0.00 H new ATOM 10 N ILE A 2 -23.841 24.028 -10.535 1.00 0.00 N ATOM 11 CA ILE A 2 -23.935 22.593 -10.877 1.00 0.00 C ATOM 12 C ILE A 2 -25.378 22.033 -10.839 1.00 0.00 C ATOM 13 O ILE A 2 -25.611 20.902 -11.254 1.00 0.00 O ATOM 14 CB ILE A 2 -22.989 21.764 -9.975 1.00 0.00 C ATOM 15 CG1 ILE A 2 -22.603 20.425 -10.640 1.00 0.00 C ATOM 16 CG2 ILE A 2 -23.585 21.558 -8.572 1.00 0.00 C ATOM 17 CD1 ILE A 2 -21.303 19.825 -10.090 1.00 0.00 C ATOM 0 H ILE A 2 -24.650 24.366 -10.014 1.00 0.00 H new ATOM 0 HA ILE A 2 -23.617 22.502 -11.915 1.00 0.00 H new ATOM 0 HB ILE A 2 -22.069 22.336 -9.851 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -23.413 19.710 -10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -22.498 20.578 -11.714 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -22.894 20.972 -7.966 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -23.749 22.527 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -24.534 21.029 -8.654 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -21.091 18.886 -10.601 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -20.482 20.522 -10.257 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -21.411 19.640 -9.021 1.00 0.00 H new ATOM 29 N VAL A 3 -26.373 22.804 -10.371 1.00 0.00 N ATOM 30 CA VAL A 3 -27.794 22.391 -10.365 1.00 0.00 C ATOM 31 C VAL A 3 -28.322 22.156 -11.784 1.00 0.00 C ATOM 32 O VAL A 3 -29.190 21.321 -12.007 1.00 0.00 O ATOM 33 CB VAL A 3 -28.644 23.415 -9.589 1.00 0.00 C ATOM 34 CG1 VAL A 3 -28.771 24.772 -10.293 1.00 0.00 C ATOM 35 CG2 VAL A 3 -30.050 22.891 -9.284 1.00 0.00 C ATOM 0 H VAL A 3 -26.218 23.735 -9.984 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.871 21.434 -9.849 1.00 0.00 H new ATOM 0 HB VAL A 3 -28.096 23.564 -8.658 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -29.383 25.440 -9.687 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -27.781 25.207 -10.425 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -29.240 24.634 -11.267 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -30.610 23.649 -8.736 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -30.564 22.664 -10.218 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -29.978 21.986 -8.681 1.00 0.00 H new ATOM 45 N GLU A 4 -27.699 22.801 -12.765 1.00 0.00 N ATOM 46 CA GLU A 4 -27.807 22.542 -14.194 1.00 0.00 C ATOM 47 C GLU A 4 -27.591 21.056 -14.576 1.00 0.00 C ATOM 48 O GLU A 4 -28.247 20.572 -15.495 1.00 0.00 O ATOM 49 CB GLU A 4 -26.857 23.521 -14.924 1.00 0.00 C ATOM 50 CG GLU A 4 -25.392 23.610 -14.424 1.00 0.00 C ATOM 51 CD GLU A 4 -25.106 24.689 -13.344 1.00 0.00 C ATOM 52 OE1 GLU A 4 -25.871 24.818 -12.354 1.00 0.00 O ATOM 53 OE2 GLU A 4 -24.054 25.363 -13.409 1.00 0.00 O ATOM 0 H GLU A 4 -27.061 23.572 -12.567 1.00 0.00 H new ATOM 0 HA GLU A 4 -28.831 22.726 -14.519 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -26.836 23.244 -15.978 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -27.293 24.518 -14.865 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -25.106 22.638 -14.023 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -24.747 23.803 -15.282 1.00 0.00 H new ATOM 60 N GLN A 5 -26.788 20.288 -13.824 1.00 0.00 N ATOM 61 CA GLN A 5 -26.671 18.827 -13.980 1.00 0.00 C ATOM 62 C GLN A 5 -27.940 18.069 -13.560 1.00 0.00 C ATOM 63 O GLN A 5 -28.250 17.028 -14.136 1.00 0.00 O ATOM 64 CB GLN A 5 -25.499 18.282 -13.140 1.00 0.00 C ATOM 65 CG GLN A 5 -24.128 18.885 -13.482 1.00 0.00 C ATOM 66 CD GLN A 5 -23.657 18.596 -14.899 1.00 0.00 C ATOM 67 OE1 GLN A 5 -23.144 19.454 -15.591 1.00 0.00 O ATOM 68 NE2 GLN A 5 -23.798 17.388 -15.401 1.00 0.00 N ATOM 0 H GLN A 5 -26.196 20.665 -13.084 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.504 18.661 -15.044 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -25.709 18.466 -12.086 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -25.448 17.201 -13.271 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -24.172 19.965 -13.339 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -23.389 18.500 -12.780 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -24.225 16.650 -14.841 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -23.480 17.190 -16.350 1.00 0.00 H new ATOM 77 N CYS A 6 -28.679 18.565 -12.562 1.00 0.00 N ATOM 78 CA CYS A 6 -29.963 17.989 -12.149 1.00 0.00 C ATOM 79 C CYS A 6 -31.094 18.361 -13.116 1.00 0.00 C ATOM 80 O CYS A 6 -32.004 17.573 -13.350 1.00 0.00 O ATOM 81 CB CYS A 6 -30.325 18.481 -10.746 1.00 0.00 C ATOM 82 SG CYS A 6 -29.148 18.110 -9.417 1.00 0.00 S ATOM 0 H CYS A 6 -28.402 19.381 -12.016 1.00 0.00 H new ATOM 0 HA CYS A 6 -29.851 16.905 -12.154 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -30.458 19.562 -10.789 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -31.290 18.052 -10.474 1.00 0.00 H new ATOM 87 N CYS A 7 -31.016 19.556 -13.704 1.00 0.00 N ATOM 88 CA CYS A 7 -32.016 20.121 -14.613 1.00 0.00 C ATOM 89 C CYS A 7 -32.172 19.387 -15.959 1.00 0.00 C ATOM 90 O CYS A 7 -33.030 19.782 -16.748 1.00 0.00 O ATOM 91 CB CYS A 7 -31.664 21.604 -14.811 1.00 0.00 C ATOM 92 SG CYS A 7 -31.850 22.586 -13.290 1.00 0.00 S ATOM 0 H CYS A 7 -30.224 20.181 -13.555 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.996 19.997 -14.152 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -30.636 21.684 -15.166 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -32.303 22.023 -15.588 1.00 0.00 H new ATOM 97 N ALA A 8 -31.356 18.359 -16.226 1.00 0.00 N ATOM 98 CA ALA A 8 -31.443 17.516 -17.421 1.00 0.00 C ATOM 99 C ALA A 8 -30.899 16.075 -17.239 1.00 0.00 C ATOM 100 O ALA A 8 -30.670 15.382 -18.233 1.00 0.00 O ATOM 101 CB ALA A 8 -30.722 18.252 -18.560 1.00 0.00 C ATOM 0 H ALA A 8 -30.599 18.085 -15.600 1.00 0.00 H new ATOM 0 HA ALA A 8 -32.498 17.365 -17.651 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -30.768 17.651 -19.468 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -31.206 19.213 -18.736 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -29.680 18.416 -18.285 1.00 0.00 H new ATOM 107 N SER A 9 -30.627 15.607 -16.008 1.00 0.00 N ATOM 108 CA SER A 9 -30.027 14.277 -15.754 1.00 0.00 C ATOM 109 C SER A 9 -30.097 13.814 -14.289 1.00 0.00 C ATOM 110 O SER A 9 -30.410 14.585 -13.382 1.00 0.00 O ATOM 111 CB SER A 9 -28.560 14.275 -16.218 1.00 0.00 C ATOM 112 OG SER A 9 -28.511 13.869 -17.571 1.00 0.00 O ATOM 0 H SER A 9 -30.816 16.138 -15.158 1.00 0.00 H new ATOM 0 HA SER A 9 -30.626 13.568 -16.325 1.00 0.00 H new ATOM 0 HB2 SER A 9 -28.127 15.269 -16.106 1.00 0.00 H new ATOM 0 HB3 SER A 9 -27.969 13.599 -15.599 1.00 0.00 H new ATOM 0 HG SER A 9 -29.237 14.301 -18.069 1.00 0.00 H new ATOM 118 N VAL A 10 -29.780 12.529 -14.058 1.00 0.00 N ATOM 119 CA VAL A 10 -29.772 11.841 -12.747 1.00 0.00 C ATOM 120 C VAL A 10 -28.591 12.296 -11.871 1.00 0.00 C ATOM 121 O VAL A 10 -27.649 11.543 -11.578 1.00 0.00 O ATOM 122 CB VAL A 10 -29.817 10.301 -12.923 1.00 0.00 C ATOM 123 CG1 VAL A 10 -29.946 9.546 -11.588 1.00 0.00 C ATOM 124 CG2 VAL A 10 -31.024 9.862 -13.753 1.00 0.00 C ATOM 0 H VAL A 10 -29.507 11.906 -14.818 1.00 0.00 H new ATOM 0 HA VAL A 10 -30.679 12.129 -12.215 1.00 0.00 H new ATOM 0 HB VAL A 10 -28.873 10.060 -13.413 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -29.972 8.473 -11.778 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -29.092 9.781 -10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -30.865 9.848 -11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -31.021 8.777 -13.854 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -31.941 10.177 -13.256 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -30.971 10.319 -14.741 1.00 0.00 H new ATOM 134 N CYS A 11 -28.621 13.557 -11.444 1.00 0.00 N ATOM 135 CA CYS A 11 -27.573 14.131 -10.605 1.00 0.00 C ATOM 136 C CYS A 11 -27.401 13.341 -9.292 1.00 0.00 C ATOM 137 O CYS A 11 -28.358 12.781 -8.743 1.00 0.00 O ATOM 138 CB CYS A 11 -27.813 15.627 -10.387 1.00 0.00 C ATOM 139 SG CYS A 11 -29.181 16.080 -9.294 1.00 0.00 S ATOM 0 H CYS A 11 -29.372 14.209 -11.670 1.00 0.00 H new ATOM 0 HA CYS A 11 -26.621 14.041 -11.128 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.898 16.063 -9.986 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -27.987 16.089 -11.359 1.00 0.00 H new ATOM 144 N SER A 12 -26.150 13.216 -8.843 1.00 0.00 N ATOM 145 CA SER A 12 -25.729 12.274 -7.792 1.00 0.00 C ATOM 146 C SER A 12 -24.522 12.797 -7.003 1.00 0.00 C ATOM 147 O SER A 12 -23.760 13.614 -7.518 1.00 0.00 O ATOM 148 CB SER A 12 -25.444 10.885 -8.396 1.00 0.00 C ATOM 149 OG SER A 12 -26.603 10.304 -8.989 1.00 0.00 O ATOM 0 H SER A 12 -25.380 13.778 -9.206 1.00 0.00 H new ATOM 0 HA SER A 12 -26.552 12.179 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 12 -24.659 10.972 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.067 10.223 -7.617 1.00 0.00 H new ATOM 0 HG SER A 12 -26.813 10.773 -9.823 1.00 0.00 H new ATOM 155 N LEU A 13 -24.368 12.325 -5.756 1.00 0.00 N ATOM 156 CA LEU A 13 -23.714 13.026 -4.631 1.00 0.00 C ATOM 157 C LEU A 13 -22.320 13.629 -4.883 1.00 0.00 C ATOM 158 O LEU A 13 -22.034 14.693 -4.351 1.00 0.00 O ATOM 159 CB LEU A 13 -23.685 12.113 -3.389 1.00 0.00 C ATOM 160 CG LEU A 13 -25.080 11.619 -2.939 1.00 0.00 C ATOM 161 CD1 LEU A 13 -25.239 10.122 -3.221 1.00 0.00 C ATOM 162 CD2 LEU A 13 -25.313 11.843 -1.448 1.00 0.00 C ATOM 0 H LEU A 13 -24.710 11.402 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 13 -24.341 13.904 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -23.056 11.249 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -23.219 12.653 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 13 -25.809 12.197 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -26.227 9.794 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -25.128 9.939 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -24.476 9.566 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -26.305 11.481 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -24.560 11.301 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -25.241 12.907 -1.224 1.00 0.00 H new ATOM 174 N TYR A 14 -21.494 13.059 -5.766 1.00 0.00 N ATOM 175 CA TYR A 14 -20.220 13.673 -6.186 1.00 0.00 C ATOM 176 C TYR A 14 -20.380 15.123 -6.689 1.00 0.00 C ATOM 177 O TYR A 14 -19.460 15.929 -6.589 1.00 0.00 O ATOM 178 CB TYR A 14 -19.581 12.833 -7.306 1.00 0.00 C ATOM 179 CG TYR A 14 -19.753 11.329 -7.191 1.00 0.00 C ATOM 180 CD1 TYR A 14 -19.069 10.611 -6.191 1.00 0.00 C ATOM 181 CD2 TYR A 14 -20.608 10.653 -8.085 1.00 0.00 C ATOM 182 CE1 TYR A 14 -19.232 9.214 -6.089 1.00 0.00 C ATOM 183 CE2 TYR A 14 -20.771 9.258 -7.986 1.00 0.00 C ATOM 184 CZ TYR A 14 -20.078 8.536 -6.995 1.00 0.00 C ATOM 185 OH TYR A 14 -20.234 7.189 -6.926 1.00 0.00 O ATOM 0 H TYR A 14 -21.684 12.161 -6.212 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.585 13.699 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -20.001 13.155 -8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -18.514 13.055 -7.336 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -18.419 11.130 -5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.138 11.206 -8.846 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -18.711 8.663 -5.320 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.428 8.741 -8.670 1.00 0.00 H new ATOM 0 HH TYR A 14 -20.853 6.895 -7.626 1.00 0.00 H new ATOM 195 N GLN A 15 -21.552 15.455 -7.236 1.00 0.00 N ATOM 196 CA GLN A 15 -21.925 16.794 -7.712 1.00 0.00 C ATOM 197 C GLN A 15 -22.478 17.707 -6.600 1.00 0.00 C ATOM 198 O GLN A 15 -22.583 18.913 -6.794 1.00 0.00 O ATOM 199 CB GLN A 15 -22.984 16.631 -8.818 1.00 0.00 C ATOM 200 CG GLN A 15 -22.477 15.833 -10.038 1.00 0.00 C ATOM 201 CD GLN A 15 -23.548 14.948 -10.665 1.00 0.00 C ATOM 202 OE1 GLN A 15 -24.662 15.355 -10.932 1.00 0.00 O ATOM 203 NE2 GLN A 15 -23.272 13.699 -10.970 1.00 0.00 N ATOM 0 H GLN A 15 -22.299 14.772 -7.366 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.022 17.278 -8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -23.858 16.130 -8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -23.309 17.618 -9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -22.104 16.529 -10.790 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.635 15.212 -9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -22.350 13.316 -10.764 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -23.980 13.114 -11.413 1.00 0.00 H new ATOM 212 N LEU A 16 -22.860 17.135 -5.457 1.00 0.00 N ATOM 213 CA LEU A 16 -23.534 17.805 -4.341 1.00 0.00 C ATOM 214 C LEU A 16 -22.554 18.220 -3.230 1.00 0.00 C ATOM 215 O LEU A 16 -22.503 19.400 -2.872 1.00 0.00 O ATOM 216 CB LEU A 16 -24.664 16.897 -3.802 1.00 0.00 C ATOM 217 CG LEU A 16 -25.661 16.377 -4.859 1.00 0.00 C ATOM 218 CD1 LEU A 16 -26.799 15.617 -4.175 1.00 0.00 C ATOM 219 CD2 LEU A 16 -26.297 17.479 -5.709 1.00 0.00 C ATOM 0 H LEU A 16 -22.701 16.144 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 16 -23.972 18.732 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -24.211 16.040 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.220 17.450 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.074 15.737 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.498 15.253 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.391 14.772 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -27.320 16.284 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.985 17.033 -6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -26.843 18.167 -5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.517 18.023 -6.242 1.00 0.00 H new ATOM 231 N GLU A 17 -21.718 17.289 -2.747 1.00 0.00 N ATOM 232 CA GLU A 17 -20.701 17.543 -1.704 1.00 0.00 C ATOM 233 C GLU A 17 -19.819 18.750 -2.062 1.00 0.00 C ATOM 234 O GLU A 17 -19.540 19.623 -1.238 1.00 0.00 O ATOM 235 CB GLU A 17 -19.762 16.324 -1.538 1.00 0.00 C ATOM 236 CG GLU A 17 -20.398 14.938 -1.355 1.00 0.00 C ATOM 237 CD GLU A 17 -21.679 14.988 -0.528 1.00 0.00 C ATOM 238 OE1 GLU A 17 -22.771 14.981 -1.140 1.00 0.00 O ATOM 239 OE2 GLU A 17 -21.543 15.081 0.710 1.00 0.00 O ATOM 0 H GLU A 17 -21.726 16.322 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.248 17.736 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.115 16.280 -2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.121 16.512 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.617 14.510 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.682 14.274 -0.870 1.00 0.00 H new ATOM 246 N ASN A 18 -19.435 18.816 -3.341 1.00 0.00 N ATOM 247 CA ASN A 18 -18.524 19.790 -3.948 1.00 0.00 C ATOM 248 C ASN A 18 -19.069 21.237 -4.019 1.00 0.00 C ATOM 249 O ASN A 18 -18.464 22.089 -4.672 1.00 0.00 O ATOM 250 CB ASN A 18 -18.165 19.250 -5.345 1.00 0.00 C ATOM 251 CG ASN A 18 -16.908 19.884 -5.906 1.00 0.00 C ATOM 252 OD1 ASN A 18 -15.858 19.908 -5.291 1.00 0.00 O ATOM 253 ND2 ASN A 18 -16.953 20.371 -7.124 1.00 0.00 N ATOM 0 H ASN A 18 -19.777 18.143 -4.027 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.646 19.885 -3.309 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.030 18.170 -5.290 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.996 19.433 -6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.113 20.765 -7.547 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -17.828 20.355 -7.647 1.00 0.00 H new ATOM 260 N TYR A 19 -20.228 21.510 -3.409 1.00 0.00 N ATOM 261 CA TYR A 19 -20.844 22.840 -3.312 1.00 0.00 C ATOM 262 C TYR A 19 -21.095 23.318 -1.871 1.00 0.00 C ATOM 263 O TYR A 19 -21.579 24.440 -1.685 1.00 0.00 O ATOM 264 CB TYR A 19 -22.099 22.883 -4.207 1.00 0.00 C ATOM 265 CG TYR A 19 -21.729 23.331 -5.606 1.00 0.00 C ATOM 266 CD1 TYR A 19 -21.937 24.671 -5.979 1.00 0.00 C ATOM 267 CD2 TYR A 19 -21.041 22.457 -6.466 1.00 0.00 C ATOM 268 CE1 TYR A 19 -21.399 25.161 -7.183 1.00 0.00 C ATOM 269 CE2 TYR A 19 -20.503 22.937 -7.673 1.00 0.00 C ATOM 270 CZ TYR A 19 -20.664 24.294 -8.019 1.00 0.00 C ATOM 271 OH TYR A 19 -20.136 24.770 -9.173 1.00 0.00 O ATOM 0 H TYR A 19 -20.783 20.786 -2.953 1.00 0.00 H new ATOM 0 HA TYR A 19 -20.126 23.570 -3.685 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.562 21.897 -4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -22.835 23.565 -3.781 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -22.511 25.325 -5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -20.926 21.417 -6.199 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -21.547 26.193 -7.465 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.969 22.269 -8.332 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.732 25.648 -9.010 1.00 0.00 H new ATOM 281 N CYS A 20 -20.739 22.516 -0.865 1.00 0.00 N ATOM 282 CA CYS A 20 -20.832 22.842 0.563 1.00 0.00 C ATOM 283 C CYS A 20 -19.509 23.418 1.136 1.00 0.00 C ATOM 284 O CYS A 20 -18.473 23.404 0.466 1.00 0.00 O ATOM 285 CB CYS A 20 -21.307 21.562 1.264 1.00 0.00 C ATOM 286 SG CYS A 20 -21.562 21.677 3.048 1.00 0.00 S ATOM 0 H CYS A 20 -20.362 21.582 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 20 -21.545 23.648 0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -22.243 21.247 0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -20.577 20.775 1.072 1.00 0.00 H new ATOM 291 N ASN A 21 -19.538 23.937 2.373 1.00 0.00 N ATOM 292 CA ASN A 21 -18.377 24.339 3.190 1.00 0.00 C ATOM 293 C ASN A 21 -18.388 23.630 4.548 1.00 0.00 C ATOM 294 O ASN A 21 -19.415 23.671 5.254 1.00 0.00 O ATOM 295 CB ASN A 21 -18.318 25.885 3.320 1.00 0.00 C ATOM 296 CG ASN A 21 -17.857 26.650 2.085 1.00 0.00 C ATOM 297 OD1 ASN A 21 -17.339 25.982 1.082 1.00 0.00 O flip ATOM 298 ND2 ASN A 21 -17.944 27.864 2.000 1.00 0.00 N flip ATOM 299 OXT ASN A 21 -17.405 22.920 4.842 1.00 0.00 O ATOM 0 H ASN A 21 -20.420 24.097 2.859 1.00 0.00 H new ATOM 0 HA ASN A 21 -17.463 24.024 2.687 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -19.310 26.243 3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -17.651 26.134 4.145 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -18.344 28.402 2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.617 28.341 1.160 1.00 0.00 H new TER 306 ASN A 21 ATOM 307 N PHE B 1 -29.370 9.157 -8.356 1.00 0.00 N ATOM 308 CA PHE B 1 -29.475 9.274 -6.887 1.00 0.00 C ATOM 309 C PHE B 1 -30.894 9.676 -6.545 1.00 0.00 C ATOM 310 O PHE B 1 -31.660 8.810 -6.156 1.00 0.00 O ATOM 311 CB PHE B 1 -28.410 10.220 -6.322 1.00 0.00 C ATOM 312 CG PHE B 1 -28.711 10.889 -4.995 1.00 0.00 C ATOM 313 CD1 PHE B 1 -28.859 10.129 -3.819 1.00 0.00 C ATOM 314 CD2 PHE B 1 -28.847 12.292 -4.944 1.00 0.00 C ATOM 315 CE1 PHE B 1 -29.121 10.772 -2.596 1.00 0.00 C ATOM 316 CE2 PHE B 1 -29.122 12.929 -3.722 1.00 0.00 C ATOM 317 CZ PHE B 1 -29.249 12.171 -2.547 1.00 0.00 C ATOM 0 H1 PHE B 1 -28.445 9.516 -8.668 1.00 0.00 H new ATOM 0 H2 PHE B 1 -29.466 8.159 -8.632 1.00 0.00 H new ATOM 0 H3 PHE B 1 -30.126 9.714 -8.804 1.00 0.00 H new ATOM 0 HA PHE B 1 -29.271 8.315 -6.410 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -27.482 9.658 -6.214 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -28.226 11.001 -7.060 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -28.771 9.053 -3.856 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -28.740 12.877 -5.845 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -29.224 10.190 -1.692 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -29.236 14.002 -3.687 1.00 0.00 H new ATOM 0 HZ PHE B 1 -29.445 12.663 -1.606 1.00 0.00 H new ATOM 329 N VAL B 2 -31.263 10.929 -6.812 1.00 0.00 N ATOM 330 CA VAL B 2 -32.665 11.325 -6.972 1.00 0.00 C ATOM 331 C VAL B 2 -33.282 10.643 -8.212 1.00 0.00 C ATOM 332 O VAL B 2 -32.539 10.117 -9.049 1.00 0.00 O ATOM 333 CB VAL B 2 -32.731 12.865 -6.991 1.00 0.00 C ATOM 334 CG1 VAL B 2 -32.287 13.455 -8.338 1.00 0.00 C ATOM 335 CG2 VAL B 2 -34.127 13.344 -6.607 1.00 0.00 C ATOM 0 H VAL B 2 -30.601 11.697 -6.923 1.00 0.00 H new ATOM 0 HA VAL B 2 -33.274 10.985 -6.135 1.00 0.00 H new ATOM 0 HB VAL B 2 -32.023 13.230 -6.247 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -32.352 14.542 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -31.258 13.161 -8.543 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -32.936 13.081 -9.130 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -34.156 14.433 -6.626 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -34.855 12.950 -7.316 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -34.370 12.992 -5.604 1.00 0.00 H new ATOM 345 N ASN B 3 -34.614 10.603 -8.306 1.00 0.00 N ATOM 346 CA ASN B 3 -35.352 9.826 -9.311 1.00 0.00 C ATOM 347 C ASN B 3 -35.644 10.594 -10.616 1.00 0.00 C ATOM 348 O ASN B 3 -35.732 9.974 -11.674 1.00 0.00 O ATOM 349 CB ASN B 3 -36.670 9.324 -8.683 1.00 0.00 C ATOM 350 CG ASN B 3 -36.480 8.553 -7.386 1.00 0.00 C ATOM 351 OD1 ASN B 3 -36.160 9.112 -6.353 1.00 0.00 O ATOM 352 ND2 ASN B 3 -36.669 7.253 -7.386 1.00 0.00 N ATOM 0 H ASN B 3 -35.224 11.120 -7.673 1.00 0.00 H new ATOM 0 HA ASN B 3 -34.711 8.994 -9.601 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -37.320 10.179 -8.494 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -37.184 8.686 -9.402 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -36.548 6.720 -6.525 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -36.937 6.777 -8.247 1.00 0.00 H new ATOM 359 N GLN B 4 -35.819 11.920 -10.549 1.00 0.00 N ATOM 360 CA GLN B 4 -36.307 12.758 -11.653 1.00 0.00 C ATOM 361 C GLN B 4 -35.281 13.785 -12.153 1.00 0.00 C ATOM 362 O GLN B 4 -34.582 14.418 -11.367 1.00 0.00 O ATOM 363 CB GLN B 4 -37.646 13.426 -11.266 1.00 0.00 C ATOM 364 CG GLN B 4 -37.574 14.688 -10.373 1.00 0.00 C ATOM 365 CD GLN B 4 -36.990 14.463 -8.977 1.00 0.00 C ATOM 366 OE1 GLN B 4 -37.018 13.375 -8.428 1.00 0.00 O ATOM 367 NE2 GLN B 4 -36.431 15.470 -8.345 1.00 0.00 N ATOM 0 H GLN B 4 -35.620 12.454 -9.703 1.00 0.00 H new ATOM 0 HA GLN B 4 -36.475 12.093 -12.500 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -38.169 13.691 -12.185 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -38.258 12.684 -10.754 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -36.974 15.442 -10.884 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -38.579 15.098 -10.268 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -36.395 16.390 -8.783 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -36.033 15.331 -7.416 1.00 0.00 H new ATOM 376 N HIS B 5 -35.279 14.000 -13.470 1.00 0.00 N ATOM 377 CA HIS B 5 -34.333 14.848 -14.224 1.00 0.00 C ATOM 378 C HIS B 5 -34.834 16.291 -14.432 1.00 0.00 C ATOM 379 O HIS B 5 -34.451 16.958 -15.392 1.00 0.00 O ATOM 380 CB HIS B 5 -34.013 14.164 -15.576 1.00 0.00 C ATOM 381 CG HIS B 5 -34.204 12.669 -15.571 1.00 0.00 C ATOM 382 ND1 HIS B 5 -33.524 11.775 -14.748 1.00 0.00 N ATOM 383 CD2 HIS B 5 -35.238 12.012 -16.174 1.00 0.00 C ATOM 384 CE1 HIS B 5 -34.162 10.601 -14.869 1.00 0.00 C ATOM 385 NE2 HIS B 5 -35.188 10.711 -15.728 1.00 0.00 N ATOM 0 H HIS B 5 -35.973 13.567 -14.079 1.00 0.00 H new ATOM 0 HA HIS B 5 -33.425 14.943 -13.629 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -34.647 14.598 -16.349 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -32.981 14.387 -15.848 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -35.954 12.431 -16.865 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -33.889 9.695 -14.349 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -35.821 9.960 -16.003 1.00 0.00 H new ATOM 393 N LEU B 6 -35.796 16.727 -13.613 1.00 0.00 N ATOM 394 CA LEU B 6 -36.554 17.966 -13.795 1.00 0.00 C ATOM 395 C LEU B 6 -36.000 19.068 -12.880 1.00 0.00 C ATOM 396 O LEU B 6 -35.867 18.877 -11.673 1.00 0.00 O ATOM 397 CB LEU B 6 -38.053 17.655 -13.582 1.00 0.00 C ATOM 398 CG LEU B 6 -39.095 18.667 -14.102 1.00 0.00 C ATOM 399 CD1 LEU B 6 -39.103 20.002 -13.362 1.00 0.00 C ATOM 400 CD2 LEU B 6 -38.963 18.942 -15.603 1.00 0.00 C ATOM 0 H LEU B 6 -36.076 16.210 -12.779 1.00 0.00 H new ATOM 0 HA LEU B 6 -36.446 18.355 -14.807 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -38.262 16.693 -14.051 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -38.217 17.530 -12.512 1.00 0.00 H new ATOM 0 HG LEU B 6 -40.043 18.168 -13.904 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -39.865 20.652 -13.792 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -39.324 19.833 -12.308 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -38.126 20.476 -13.456 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -39.723 19.661 -15.909 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -37.973 19.348 -15.813 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -39.099 18.013 -16.156 1.00 0.00 H new ATOM 412 N CYS B 7 -35.685 20.220 -13.469 1.00 0.00 N ATOM 413 CA CYS B 7 -35.095 21.380 -12.804 1.00 0.00 C ATOM 414 C CYS B 7 -36.011 21.982 -11.719 1.00 0.00 C ATOM 415 O CYS B 7 -37.140 22.368 -12.017 1.00 0.00 O ATOM 416 CB CYS B 7 -34.801 22.402 -13.910 1.00 0.00 C ATOM 417 SG CYS B 7 -33.557 23.665 -13.559 1.00 0.00 S ATOM 0 H CYS B 7 -35.841 20.377 -14.465 1.00 0.00 H new ATOM 0 HA CYS B 7 -34.190 21.085 -12.273 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -34.486 21.856 -14.799 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -35.734 22.907 -14.160 1.00 0.00 H new ATOM 422 N GLY B 8 -35.537 22.112 -10.475 1.00 0.00 N ATOM 423 CA GLY B 8 -36.360 22.637 -9.382 1.00 0.00 C ATOM 424 C GLY B 8 -35.642 22.753 -8.038 1.00 0.00 C ATOM 425 O GLY B 8 -34.552 22.212 -7.839 1.00 0.00 O ATOM 0 H GLY B 8 -34.587 21.861 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -36.731 23.622 -9.666 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -37.230 21.992 -9.259 1.00 0.00 H new ATOM 429 N SER B 9 -36.290 23.457 -7.102 1.00 0.00 N ATOM 430 CA SER B 9 -35.802 23.628 -5.721 1.00 0.00 C ATOM 431 C SER B 9 -35.655 22.296 -4.972 1.00 0.00 C ATOM 432 O SER B 9 -34.809 22.173 -4.096 1.00 0.00 O ATOM 433 CB SER B 9 -36.721 24.586 -4.959 1.00 0.00 C ATOM 434 OG SER B 9 -36.202 24.887 -3.682 1.00 0.00 O ATOM 0 H SER B 9 -37.176 23.930 -7.280 1.00 0.00 H new ATOM 0 HA SER B 9 -34.801 24.056 -5.780 1.00 0.00 H new ATOM 0 HB2 SER B 9 -36.844 25.506 -5.530 1.00 0.00 H new ATOM 0 HB3 SER B 9 -37.710 24.140 -4.856 1.00 0.00 H new ATOM 0 HG SER B 9 -36.255 24.092 -3.112 1.00 0.00 H new ATOM 440 N HIS B 10 -36.343 21.245 -5.425 1.00 0.00 N ATOM 441 CA HIS B 10 -36.234 19.867 -4.931 1.00 0.00 C ATOM 442 C HIS B 10 -34.794 19.344 -4.829 1.00 0.00 C ATOM 443 O HIS B 10 -34.500 18.503 -3.981 1.00 0.00 O ATOM 444 CB HIS B 10 -37.050 18.953 -5.860 1.00 0.00 C ATOM 445 CG HIS B 10 -38.401 19.517 -6.231 1.00 0.00 C ATOM 446 ND1 HIS B 10 -38.645 20.436 -7.259 1.00 0.00 N ATOM 447 CD2 HIS B 10 -39.547 19.329 -5.520 1.00 0.00 C ATOM 448 CE1 HIS B 10 -39.943 20.758 -7.153 1.00 0.00 C ATOM 449 NE2 HIS B 10 -40.506 20.115 -6.117 1.00 0.00 N ATOM 0 H HIS B 10 -37.023 21.334 -6.180 1.00 0.00 H new ATOM 0 HA HIS B 10 -36.622 19.863 -3.912 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -36.479 18.772 -6.771 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -37.190 17.987 -5.374 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -39.677 18.690 -4.659 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -40.463 21.440 -7.810 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -41.479 20.196 -5.823 1.00 0.00 H new ATOM 457 N LEU B 11 -33.878 19.842 -5.672 1.00 0.00 N ATOM 458 CA LEU B 11 -32.455 19.486 -5.620 1.00 0.00 C ATOM 459 C LEU B 11 -31.595 20.488 -4.825 1.00 0.00 C ATOM 460 O LEU B 11 -30.510 20.134 -4.371 1.00 0.00 O ATOM 461 CB LEU B 11 -31.904 19.196 -7.027 1.00 0.00 C ATOM 462 CG LEU B 11 -32.632 18.106 -7.851 1.00 0.00 C ATOM 463 CD1 LEU B 11 -33.202 16.933 -7.051 1.00 0.00 C ATOM 464 CD2 LEU B 11 -33.724 18.683 -8.753 1.00 0.00 C ATOM 0 H LEU B 11 -34.106 20.506 -6.412 1.00 0.00 H new ATOM 0 HA LEU B 11 -32.385 18.560 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -31.925 20.124 -7.598 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -30.858 18.906 -6.929 1.00 0.00 H new ATOM 0 HG LEU B 11 -31.826 17.695 -8.459 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -33.689 16.232 -7.729 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -32.394 16.426 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -33.930 17.304 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -34.202 17.876 -9.308 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -34.468 19.194 -8.142 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -33.281 19.392 -9.453 1.00 0.00 H new ATOM 476 N VAL B 12 -32.086 21.702 -4.561 1.00 0.00 N ATOM 477 CA VAL B 12 -31.569 22.554 -3.474 1.00 0.00 C ATOM 478 C VAL B 12 -31.952 21.965 -2.114 1.00 0.00 C ATOM 479 O VAL B 12 -31.114 21.890 -1.221 1.00 0.00 O ATOM 480 CB VAL B 12 -32.037 24.014 -3.653 1.00 0.00 C ATOM 481 CG1 VAL B 12 -31.919 24.856 -2.382 1.00 0.00 C ATOM 482 CG2 VAL B 12 -31.177 24.673 -4.741 1.00 0.00 C ATOM 0 H VAL B 12 -32.849 22.125 -5.089 1.00 0.00 H new ATOM 0 HA VAL B 12 -30.480 22.574 -3.517 1.00 0.00 H new ATOM 0 HB VAL B 12 -33.093 23.976 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -32.266 25.870 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -32.529 24.414 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -30.878 24.886 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -31.495 25.706 -4.880 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -30.130 24.653 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -31.295 24.128 -5.678 1.00 0.00 H new ATOM 492 N GLU B 13 -33.161 21.423 -1.978 1.00 0.00 N ATOM 493 CA GLU B 13 -33.568 20.603 -0.834 1.00 0.00 C ATOM 494 C GLU B 13 -32.703 19.331 -0.722 1.00 0.00 C ATOM 495 O GLU B 13 -32.248 19.000 0.372 1.00 0.00 O ATOM 496 CB GLU B 13 -35.080 20.320 -0.912 1.00 0.00 C ATOM 497 CG GLU B 13 -35.920 21.602 -0.689 1.00 0.00 C ATOM 498 CD GLU B 13 -37.013 21.836 -1.748 1.00 0.00 C ATOM 499 OE1 GLU B 13 -37.718 20.864 -2.099 1.00 0.00 O ATOM 500 OE2 GLU B 13 -37.141 22.994 -2.219 1.00 0.00 O ATOM 0 H GLU B 13 -33.900 21.542 -2.671 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.393 21.151 0.092 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -35.320 19.894 -1.886 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.349 19.575 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -36.388 21.549 0.294 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.251 22.463 -0.678 1.00 0.00 H new ATOM 507 N ALA B 14 -32.326 18.690 -1.836 1.00 0.00 N ATOM 508 CA ALA B 14 -31.346 17.595 -1.809 1.00 0.00 C ATOM 509 C ALA B 14 -29.951 18.032 -1.307 1.00 0.00 C ATOM 510 O ALA B 14 -29.308 17.269 -0.587 1.00 0.00 O ATOM 511 CB ALA B 14 -31.260 16.921 -3.183 1.00 0.00 C ATOM 0 H ALA B 14 -32.684 18.910 -2.766 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.706 16.869 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -30.530 16.112 -3.147 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -32.236 16.517 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.953 17.654 -3.929 1.00 0.00 H new ATOM 517 N LEU B 15 -29.489 19.251 -1.614 1.00 0.00 N ATOM 518 CA LEU B 15 -28.274 19.812 -1.001 1.00 0.00 C ATOM 519 C LEU B 15 -28.481 20.130 0.496 1.00 0.00 C ATOM 520 O LEU B 15 -27.578 19.905 1.305 1.00 0.00 O ATOM 521 CB LEU B 15 -27.815 21.067 -1.768 1.00 0.00 C ATOM 522 CG LEU B 15 -27.275 20.825 -3.188 1.00 0.00 C ATOM 523 CD1 LEU B 15 -27.360 22.111 -4.013 1.00 0.00 C ATOM 524 CD2 LEU B 15 -25.802 20.426 -3.158 1.00 0.00 C ATOM 0 H LEU B 15 -29.940 19.872 -2.286 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.492 19.056 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -28.656 21.758 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -27.039 21.563 -1.184 1.00 0.00 H new ATOM 0 HG LEU B 15 -27.879 20.029 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.975 21.926 -5.016 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -28.399 22.434 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -26.767 22.890 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -25.449 20.262 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -25.219 21.222 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -25.685 19.509 -2.581 1.00 0.00 H new ATOM 536 N TYR B 16 -29.659 20.608 0.914 1.00 0.00 N ATOM 537 CA TYR B 16 -29.976 20.774 2.343 1.00 0.00 C ATOM 538 C TYR B 16 -30.020 19.439 3.104 1.00 0.00 C ATOM 539 O TYR B 16 -29.712 19.436 4.292 1.00 0.00 O ATOM 540 CB TYR B 16 -31.277 21.568 2.564 1.00 0.00 C ATOM 541 CG TYR B 16 -31.174 23.067 2.327 1.00 0.00 C ATOM 542 CD1 TYR B 16 -30.240 23.839 3.052 1.00 0.00 C ATOM 543 CD2 TYR B 16 -32.035 23.703 1.411 1.00 0.00 C ATOM 544 CE1 TYR B 16 -30.135 25.225 2.825 1.00 0.00 C ATOM 545 CE2 TYR B 16 -31.939 25.091 1.188 1.00 0.00 C ATOM 546 CZ TYR B 16 -30.977 25.850 1.880 1.00 0.00 C ATOM 547 OH TYR B 16 -30.845 27.175 1.618 1.00 0.00 O ATOM 0 H TYR B 16 -30.411 20.888 0.284 1.00 0.00 H new ATOM 0 HA TYR B 16 -29.153 21.356 2.758 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -32.045 21.165 1.904 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.615 21.401 3.587 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -29.603 23.364 3.784 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -32.773 23.123 0.877 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -29.411 25.809 3.373 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -32.604 25.572 0.486 1.00 0.00 H new ATOM 0 HH TYR B 16 -31.503 27.442 0.942 1.00 0.00 H new ATOM 557 N LEU B 17 -30.313 18.309 2.454 1.00 0.00 N ATOM 558 CA LEU B 17 -30.159 16.973 3.049 1.00 0.00 C ATOM 559 C LEU B 17 -28.685 16.543 3.189 1.00 0.00 C ATOM 560 O LEU B 17 -28.374 15.761 4.084 1.00 0.00 O ATOM 561 CB LEU B 17 -30.974 15.949 2.234 1.00 0.00 C ATOM 562 CG LEU B 17 -32.504 16.138 2.300 1.00 0.00 C ATOM 563 CD1 LEU B 17 -33.180 15.255 1.249 1.00 0.00 C ATOM 564 CD2 LEU B 17 -33.066 15.751 3.669 1.00 0.00 C ATOM 0 H LEU B 17 -30.665 18.292 1.497 1.00 0.00 H new ATOM 0 HA LEU B 17 -30.549 17.015 4.066 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -30.660 16.003 1.192 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -30.730 14.947 2.588 1.00 0.00 H new ATOM 0 HG LEU B 17 -32.706 17.193 2.117 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -34.260 15.392 1.299 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -32.825 15.533 0.257 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -32.937 14.210 1.441 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -34.146 15.899 3.674 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -32.842 14.704 3.871 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -32.611 16.375 4.439 1.00 0.00 H new ATOM 576 N VAL B 18 -27.781 17.060 2.349 1.00 0.00 N ATOM 577 CA VAL B 18 -26.331 16.793 2.426 1.00 0.00 C ATOM 578 C VAL B 18 -25.653 17.612 3.535 1.00 0.00 C ATOM 579 O VAL B 18 -24.860 17.068 4.303 1.00 0.00 O ATOM 580 CB VAL B 18 -25.683 17.007 1.038 1.00 0.00 C ATOM 581 CG1 VAL B 18 -24.158 17.116 1.069 1.00 0.00 C ATOM 582 CG2 VAL B 18 -26.047 15.846 0.104 1.00 0.00 C ATOM 0 H VAL B 18 -28.035 17.685 1.584 1.00 0.00 H new ATOM 0 HA VAL B 18 -26.182 15.750 2.705 1.00 0.00 H new ATOM 0 HB VAL B 18 -26.077 17.959 0.681 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -23.783 17.265 0.056 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -23.866 17.962 1.692 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -23.736 16.199 1.481 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -25.586 16.005 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -25.684 14.910 0.528 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -27.130 15.797 -0.010 1.00 0.00 H new ATOM 592 N CYS B 19 -25.983 18.905 3.664 1.00 0.00 N ATOM 593 CA CYS B 19 -25.221 19.830 4.519 1.00 0.00 C ATOM 594 C CYS B 19 -26.018 20.665 5.537 1.00 0.00 C ATOM 595 O CYS B 19 -25.410 21.186 6.476 1.00 0.00 O ATOM 596 CB CYS B 19 -24.341 20.710 3.623 1.00 0.00 C ATOM 597 SG CYS B 19 -22.669 20.039 3.471 1.00 0.00 S ATOM 0 H CYS B 19 -26.774 19.336 3.186 1.00 0.00 H new ATOM 0 HA CYS B 19 -24.622 19.196 5.173 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -24.793 20.791 2.634 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -24.294 21.718 4.035 1.00 0.00 H new ATOM 602 N GLY B 20 -27.346 20.778 5.410 1.00 0.00 N ATOM 603 CA GLY B 20 -28.212 21.432 6.401 1.00 0.00 C ATOM 604 C GLY B 20 -27.729 22.819 6.845 1.00 0.00 C ATOM 605 O GLY B 20 -27.675 23.753 6.046 1.00 0.00 O ATOM 0 H GLY B 20 -27.857 20.413 4.606 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -29.215 21.526 5.984 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -28.290 20.790 7.278 1.00 0.00 H new ATOM 609 N GLU B 21 -27.353 22.917 8.122 1.00 0.00 N ATOM 610 CA GLU B 21 -26.857 24.117 8.819 1.00 0.00 C ATOM 611 C GLU B 21 -25.648 24.792 8.146 1.00 0.00 C ATOM 612 O GLU B 21 -25.520 26.014 8.197 1.00 0.00 O ATOM 613 CB GLU B 21 -26.507 23.667 10.249 1.00 0.00 C ATOM 614 CG GLU B 21 -25.994 24.767 11.194 1.00 0.00 C ATOM 615 CD GLU B 21 -25.794 24.252 12.633 1.00 0.00 C ATOM 616 OE1 GLU B 21 -25.778 23.011 12.821 1.00 0.00 O ATOM 617 OE2 GLU B 21 -25.667 25.107 13.538 1.00 0.00 O ATOM 0 H GLU B 21 -27.387 22.108 8.743 1.00 0.00 H new ATOM 0 HA GLU B 21 -27.632 24.883 8.797 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -27.394 23.217 10.695 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -25.750 22.885 10.188 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -25.050 25.158 10.815 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -26.702 25.596 11.202 1.00 0.00 H new ATOM 624 N ARG B 22 -24.785 24.017 7.470 1.00 0.00 N ATOM 625 CA ARG B 22 -23.583 24.518 6.770 1.00 0.00 C ATOM 626 C ARG B 22 -23.905 25.390 5.548 1.00 0.00 C ATOM 627 O ARG B 22 -23.049 26.140 5.083 1.00 0.00 O ATOM 628 CB ARG B 22 -22.704 23.327 6.346 1.00 0.00 C ATOM 629 CG ARG B 22 -22.088 22.565 7.532 1.00 0.00 C ATOM 630 CD ARG B 22 -21.548 21.185 7.124 1.00 0.00 C ATOM 631 NE ARG B 22 -20.334 21.265 6.291 1.00 0.00 N ATOM 632 CZ ARG B 22 -19.739 20.281 5.641 1.00 0.00 C ATOM 633 NH1 ARG B 22 -20.219 19.067 5.587 1.00 0.00 N ATOM 634 NH2 ARG B 22 -18.619 20.491 5.020 1.00 0.00 N ATOM 0 H ARG B 22 -24.902 23.007 7.391 1.00 0.00 H new ATOM 0 HA ARG B 22 -23.051 25.159 7.473 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -23.303 22.636 5.753 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.903 23.688 5.701 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -21.279 23.157 7.960 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -22.840 22.442 8.312 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -21.329 20.607 8.022 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -22.322 20.645 6.578 1.00 0.00 H new ATOM 0 HE ARG B 22 -19.904 22.186 6.207 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -21.094 18.843 6.061 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -19.719 18.343 5.070 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -18.195 21.419 5.033 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -18.163 19.728 4.519 1.00 0.00 H new ATOM 648 N GLY B 23 -25.121 25.294 5.003 1.00 0.00 N ATOM 649 CA GLY B 23 -25.498 25.986 3.768 1.00 0.00 C ATOM 650 C GLY B 23 -24.636 25.569 2.568 1.00 0.00 C ATOM 651 O GLY B 23 -24.203 24.421 2.479 1.00 0.00 O ATOM 0 H GLY B 23 -25.872 24.734 5.406 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -26.545 25.781 3.547 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -25.409 27.062 3.918 1.00 0.00 H new ATOM 655 N PHE B 24 -24.418 26.483 1.615 1.00 0.00 N ATOM 656 CA PHE B 24 -23.718 26.215 0.352 1.00 0.00 C ATOM 657 C PHE B 24 -22.773 27.366 -0.011 1.00 0.00 C ATOM 658 O PHE B 24 -23.145 28.536 0.136 1.00 0.00 O ATOM 659 CB PHE B 24 -24.722 26.040 -0.803 1.00 0.00 C ATOM 660 CG PHE B 24 -26.037 25.344 -0.505 1.00 0.00 C ATOM 661 CD1 PHE B 24 -26.063 24.078 0.108 1.00 0.00 C ATOM 662 CD2 PHE B 24 -27.250 25.985 -0.826 1.00 0.00 C ATOM 663 CE1 PHE B 24 -27.288 23.488 0.454 1.00 0.00 C ATOM 664 CE2 PHE B 24 -28.476 25.365 -0.532 1.00 0.00 C ATOM 665 CZ PHE B 24 -28.495 24.111 0.097 1.00 0.00 C ATOM 0 H PHE B 24 -24.730 27.450 1.702 1.00 0.00 H new ATOM 0 HA PHE B 24 -23.146 25.298 0.494 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -24.950 27.029 -1.200 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -24.223 25.485 -1.598 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -25.138 23.559 0.313 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -27.237 26.956 -1.299 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -27.303 22.554 0.995 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -29.404 25.854 -0.790 1.00 0.00 H new ATOM 0 HZ PHE B 24 -29.437 23.625 0.306 1.00 0.00 H new ATOM 675 N PHE B 25 -21.606 27.064 -0.592 1.00 0.00 N ATOM 676 CA PHE B 25 -20.753 28.116 -1.147 1.00 0.00 C ATOM 677 C PHE B 25 -21.342 28.710 -2.427 1.00 0.00 C ATOM 678 O PHE B 25 -21.408 29.926 -2.535 1.00 0.00 O ATOM 679 CB PHE B 25 -19.323 27.634 -1.397 1.00 0.00 C ATOM 680 CG PHE B 25 -18.432 28.780 -1.851 1.00 0.00 C ATOM 681 CD1 PHE B 25 -18.089 28.929 -3.209 1.00 0.00 C ATOM 682 CD2 PHE B 25 -18.038 29.764 -0.922 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.365 30.060 -3.634 1.00 0.00 C ATOM 684 CE2 PHE B 25 -17.322 30.895 -1.350 1.00 0.00 C ATOM 685 CZ PHE B 25 -16.990 31.047 -2.707 1.00 0.00 C ATOM 0 H PHE B 25 -21.237 26.118 -0.688 1.00 0.00 H new ATOM 0 HA PHE B 25 -20.713 28.901 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -18.919 27.194 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -19.327 26.850 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -18.381 28.175 -3.925 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -18.287 29.648 0.122 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.098 30.169 -4.675 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -17.026 31.648 -0.635 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.448 31.921 -3.037 1.00 0.00 H new ATOM 695 N TYR B 26 -21.791 27.877 -3.372 1.00 0.00 N ATOM 696 CA TYR B 26 -22.261 28.274 -4.714 1.00 0.00 C ATOM 697 C TYR B 26 -21.305 29.196 -5.491 1.00 0.00 C ATOM 698 O TYR B 26 -21.363 30.419 -5.400 1.00 0.00 O ATOM 699 CB TYR B 26 -23.711 28.798 -4.690 1.00 0.00 C ATOM 700 CG TYR B 26 -24.677 27.752 -5.203 1.00 0.00 C ATOM 701 CD1 TYR B 26 -24.731 27.470 -6.584 1.00 0.00 C ATOM 702 CD2 TYR B 26 -25.449 27.003 -4.300 1.00 0.00 C ATOM 703 CE1 TYR B 26 -25.528 26.409 -7.051 1.00 0.00 C ATOM 704 CE2 TYR B 26 -26.244 25.939 -4.761 1.00 0.00 C ATOM 705 CZ TYR B 26 -26.269 25.631 -6.136 1.00 0.00 C ATOM 706 OH TYR B 26 -26.990 24.576 -6.583 1.00 0.00 O ATOM 0 H TYR B 26 -21.841 26.869 -3.223 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.260 27.350 -5.293 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -23.982 29.080 -3.673 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -23.786 29.698 -5.301 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -24.162 28.067 -7.281 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -25.432 27.245 -3.248 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -25.573 26.190 -8.108 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -26.833 25.360 -4.065 1.00 0.00 H new ATOM 0 HH TYR B 26 -27.441 24.145 -5.828 1.00 0.00 H new ATOM 716 N THR B 27 -20.449 28.590 -6.315 1.00 0.00 N ATOM 717 CA THR B 27 -19.567 29.310 -7.244 1.00 0.00 C ATOM 718 C THR B 27 -20.332 29.940 -8.429 1.00 0.00 C ATOM 719 O THR B 27 -21.299 29.333 -8.918 1.00 0.00 O ATOM 720 CB THR B 27 -18.498 28.367 -7.821 1.00 0.00 C ATOM 721 OG1 THR B 27 -19.129 27.373 -8.584 1.00 0.00 O ATOM 722 CG2 THR B 27 -17.674 27.621 -6.773 1.00 0.00 C ATOM 0 H THR B 27 -20.345 27.576 -6.359 1.00 0.00 H new ATOM 0 HA THR B 27 -19.108 30.107 -6.659 1.00 0.00 H new ATOM 0 HB THR B 27 -17.830 29.011 -8.392 1.00 0.00 H new ATOM 0 HG1 THR B 27 -20.048 27.649 -8.785 1.00 0.00 H new ATOM 0 HG21 THR B 27 -16.946 26.980 -7.271 1.00 0.00 H new ATOM 0 HG22 THR B 27 -17.152 28.340 -6.141 1.00 0.00 H new ATOM 0 HG23 THR B 27 -18.335 27.010 -6.158 1.00 0.00 H new ATOM 730 N PRO B 28 -19.855 31.077 -8.976 1.00 0.00 N ATOM 731 CA PRO B 28 -18.803 31.948 -8.441 1.00 0.00 C ATOM 732 C PRO B 28 -19.357 32.967 -7.425 1.00 0.00 C ATOM 733 O PRO B 28 -20.311 33.685 -7.717 1.00 0.00 O ATOM 734 CB PRO B 28 -18.227 32.654 -9.671 1.00 0.00 C ATOM 735 CG PRO B 28 -19.439 32.806 -10.593 1.00 0.00 C ATOM 736 CD PRO B 28 -20.320 31.598 -10.256 1.00 0.00 C ATOM 0 HA PRO B 28 -18.051 31.380 -7.894 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -17.794 33.621 -9.413 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -17.437 32.066 -10.139 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -19.963 33.744 -10.411 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -19.144 32.804 -11.642 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -21.368 31.890 -10.196 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -20.245 30.837 -11.033 1.00 0.00 H new ATOM 744 N LYS B 29 -18.722 33.049 -6.248 1.00 0.00 N ATOM 745 CA LYS B 29 -18.856 34.142 -5.254 1.00 0.00 C ATOM 746 C LYS B 29 -17.487 34.504 -4.638 1.00 0.00 C ATOM 747 O LYS B 29 -17.389 34.889 -3.476 1.00 0.00 O ATOM 748 CB LYS B 29 -19.958 33.839 -4.214 1.00 0.00 C ATOM 749 CG LYS B 29 -21.370 34.093 -4.777 1.00 0.00 C ATOM 750 CD LYS B 29 -22.462 33.974 -3.708 1.00 0.00 C ATOM 751 CE LYS B 29 -22.612 32.507 -3.298 1.00 0.00 C ATOM 752 NZ LYS B 29 -22.497 32.303 -1.835 1.00 0.00 N ATOM 0 H LYS B 29 -18.070 32.327 -5.942 1.00 0.00 H new ATOM 0 HA LYS B 29 -19.195 35.040 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -19.877 32.801 -3.893 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -19.803 34.459 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -21.407 35.089 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -21.571 33.381 -5.577 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -22.205 34.581 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -23.408 34.354 -4.094 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -23.580 32.138 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -21.850 31.914 -3.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -22.104 31.359 -1.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -21.868 33.027 -1.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -23.438 32.380 -1.399 1.00 0.00 H new ATOM 766 N ALA B 30 -16.456 34.315 -5.460 1.00 0.00 N ATOM 767 CA ALA B 30 -15.035 34.631 -5.343 1.00 0.00 C ATOM 768 C ALA B 30 -14.440 34.509 -6.765 1.00 0.00 C ATOM 769 O ALA B 30 -13.425 35.185 -7.022 1.00 0.00 O ATOM 770 CB ALA B 30 -14.356 33.666 -4.359 1.00 0.00 C ATOM 771 OXT ALA B 30 -15.065 33.755 -7.557 1.00 0.00 O ATOM 0 H ALA B 30 -16.629 33.868 -6.360 1.00 0.00 H new ATOM 0 HA ALA B 30 -14.876 35.636 -4.952 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.297 33.912 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -14.823 33.758 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -14.465 32.643 -4.719 1.00 0.00 H new TER 777 ALA B 30