USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=11 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 73:sc= 0.0716 USER MOD Set 1.2: B 1 PHE N :NH3+ -135:sc= 1.36 (180deg=-0.507) USER MOD Set 2.1: A 1 GLY N :NH3+ 151:sc= 0.607 (180deg=0.381) USER MOD Set 2.2: A 19 TYR OH : rot 92:sc= 1.86 USER MOD Set 2.3: B 27 THR OG1 : rot 180:sc= 1.02 USER MOD Single : A 5 GLN : amide:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 9 SER OG : rot 26:sc= 0.987 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.09! K(o=-2.1!,f=0.32) USER MOD Single : A 18 ASN : amide:sc= -0.0738 X(o=-0.074,f=-0.089) USER MOD Single : A 21 ASN : amide:sc= 0.181 X(o=0.18,f=0) USER MOD Single : B 3 ASN : amide:sc= 0.0563 K(o=0.056,f=-1.6) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 5 HIS : no HD1:sc=-0.00819 K(o=-0.0082,f=-0.79) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0489 X(o=-0.049,f=-0.055) 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+ -175:sc= 1.8 (180deg=1.74) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.880 27.194 -11.061 1.00 0.00 N ATOM 2 CA GLY A 1 -23.796 26.272 -10.374 1.00 0.00 C ATOM 3 C GLY A 1 -23.859 24.951 -11.103 1.00 0.00 C ATOM 4 O GLY A 1 -24.482 24.920 -12.151 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.185 28.174 -10.895 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.916 27.065 -10.692 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.890 26.996 -12.082 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.461 26.113 -9.349 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.792 26.712 -10.319 1.00 0.00 H new ATOM 10 N ILE A 2 -23.261 23.886 -10.561 1.00 0.00 N ATOM 11 CA ILE A 2 -23.286 22.523 -11.142 1.00 0.00 C ATOM 12 C ILE A 2 -24.702 21.916 -11.258 1.00 0.00 C ATOM 13 O ILE A 2 -24.911 20.920 -11.941 1.00 0.00 O ATOM 14 CB ILE A 2 -22.318 21.633 -10.330 1.00 0.00 C ATOM 15 CG1 ILE A 2 -22.006 20.292 -11.030 1.00 0.00 C ATOM 16 CG2 ILE A 2 -22.850 21.396 -8.906 1.00 0.00 C ATOM 17 CD1 ILE A 2 -20.788 19.570 -10.438 1.00 0.00 C ATOM 0 H ILE A 2 -22.734 23.939 -9.690 1.00 0.00 H new ATOM 0 HA ILE A 2 -22.950 22.583 -12.177 1.00 0.00 H new ATOM 0 HB ILE A 2 -21.377 22.179 -10.265 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -22.877 19.641 -10.958 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -21.832 20.475 -12.090 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -22.150 20.767 -8.356 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.958 22.352 -8.394 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -23.820 20.901 -8.958 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -20.623 18.635 -10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -19.907 20.204 -10.534 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -20.968 19.357 -9.384 1.00 0.00 H new ATOM 29 N VAL A 3 -25.705 22.568 -10.660 1.00 0.00 N ATOM 30 CA VAL A 3 -27.129 22.222 -10.808 1.00 0.00 C ATOM 31 C VAL A 3 -27.600 22.150 -12.269 1.00 0.00 C ATOM 32 O VAL A 3 -28.599 21.492 -12.516 1.00 0.00 O ATOM 33 CB VAL A 3 -27.999 23.205 -9.998 1.00 0.00 C ATOM 34 CG1 VAL A 3 -28.090 24.584 -10.663 1.00 0.00 C ATOM 35 CG2 VAL A 3 -29.420 22.693 -9.755 1.00 0.00 C ATOM 0 H VAL A 3 -25.550 23.368 -10.046 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.247 21.214 -10.411 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.490 23.292 -9.038 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -28.713 25.241 -10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -27.091 25.012 -10.752 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -28.531 24.481 -11.655 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -29.979 23.431 -9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -29.915 22.527 -10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -29.379 21.756 -9.200 1.00 0.00 H new ATOM 45 N GLU A 4 -26.908 22.741 -13.250 1.00 0.00 N ATOM 46 CA GLU A 4 -27.278 22.568 -14.669 1.00 0.00 C ATOM 47 C GLU A 4 -27.185 21.101 -15.126 1.00 0.00 C ATOM 48 O GLU A 4 -28.087 20.621 -15.811 1.00 0.00 O ATOM 49 CB GLU A 4 -26.507 23.554 -15.567 1.00 0.00 C ATOM 50 CG GLU A 4 -24.967 23.537 -15.493 1.00 0.00 C ATOM 51 CD GLU A 4 -24.245 22.386 -16.221 1.00 0.00 C ATOM 52 OE1 GLU A 4 -24.893 21.573 -16.916 1.00 0.00 O ATOM 53 OE2 GLU A 4 -23.014 22.309 -16.034 1.00 0.00 O ATOM 0 H GLU A 4 -26.096 23.338 -13.095 1.00 0.00 H new ATOM 0 HA GLU A 4 -28.333 22.822 -14.774 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -26.795 23.362 -16.601 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -26.843 24.562 -15.324 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -24.598 24.479 -15.899 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -24.678 23.507 -14.442 1.00 0.00 H new ATOM 60 N GLN A 5 -26.227 20.328 -14.600 1.00 0.00 N ATOM 61 CA GLN A 5 -26.144 18.880 -14.824 1.00 0.00 C ATOM 62 C GLN A 5 -27.402 18.182 -14.282 1.00 0.00 C ATOM 63 O GLN A 5 -28.001 17.317 -14.921 1.00 0.00 O ATOM 64 CB GLN A 5 -24.899 18.329 -14.099 1.00 0.00 C ATOM 65 CG GLN A 5 -23.547 18.933 -14.521 1.00 0.00 C ATOM 66 CD GLN A 5 -23.037 18.341 -15.825 1.00 0.00 C ATOM 67 OE1 GLN A 5 -22.114 17.541 -15.857 1.00 0.00 O ATOM 68 NE2 GLN A 5 -23.633 18.669 -16.947 1.00 0.00 N ATOM 0 H GLN A 5 -25.484 20.692 -14.004 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.070 18.687 -15.894 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -25.027 18.488 -13.028 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.858 17.251 -14.258 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -23.651 20.013 -14.630 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -22.813 18.761 -13.734 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -24.405 19.335 -16.938 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -23.324 18.258 -17.828 1.00 0.00 H new ATOM 77 N CYS A 6 -27.861 18.623 -13.113 1.00 0.00 N ATOM 78 CA CYS A 6 -29.075 18.139 -12.469 1.00 0.00 C ATOM 79 C CYS A 6 -30.382 18.614 -13.126 1.00 0.00 C ATOM 80 O CYS A 6 -31.438 18.065 -12.821 1.00 0.00 O ATOM 81 CB CYS A 6 -29.016 18.558 -11.004 1.00 0.00 C ATOM 82 SG CYS A 6 -27.693 17.744 -10.078 1.00 0.00 S ATOM 0 H CYS A 6 -27.384 19.346 -12.575 1.00 0.00 H new ATOM 0 HA CYS A 6 -29.101 17.055 -12.577 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -28.878 19.638 -10.948 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -29.972 18.334 -10.531 1.00 0.00 H new ATOM 87 N CYS A 7 -30.318 19.599 -14.025 1.00 0.00 N ATOM 88 CA CYS A 7 -31.411 20.010 -14.906 1.00 0.00 C ATOM 89 C CYS A 7 -31.477 19.177 -16.206 1.00 0.00 C ATOM 90 O CYS A 7 -32.393 19.377 -17.002 1.00 0.00 O ATOM 91 CB CYS A 7 -31.247 21.511 -15.207 1.00 0.00 C ATOM 92 SG CYS A 7 -31.249 22.578 -13.732 1.00 0.00 S ATOM 0 H CYS A 7 -29.472 20.152 -14.164 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.358 19.829 -14.398 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -30.312 21.661 -15.748 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -32.053 21.826 -15.870 1.00 0.00 H new ATOM 97 N ALA A 8 -30.524 18.264 -16.438 1.00 0.00 N ATOM 98 CA ALA A 8 -30.404 17.498 -17.683 1.00 0.00 C ATOM 99 C ALA A 8 -30.001 16.016 -17.500 1.00 0.00 C ATOM 100 O ALA A 8 -29.821 15.302 -18.487 1.00 0.00 O ATOM 101 CB ALA A 8 -29.435 18.253 -18.601 1.00 0.00 C ATOM 0 H ALA A 8 -29.804 18.034 -15.753 1.00 0.00 H new ATOM 0 HA ALA A 8 -31.394 17.429 -18.133 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.323 17.708 -19.539 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -29.828 19.249 -18.805 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.464 18.339 -18.113 1.00 0.00 H new ATOM 107 N SER A 9 -29.854 15.523 -16.267 1.00 0.00 N ATOM 108 CA SER A 9 -29.511 14.126 -15.953 1.00 0.00 C ATOM 109 C SER A 9 -29.896 13.759 -14.516 1.00 0.00 C ATOM 110 O SER A 9 -30.203 14.634 -13.705 1.00 0.00 O ATOM 111 CB SER A 9 -28.010 13.901 -16.178 1.00 0.00 C ATOM 112 OG SER A 9 -27.786 13.681 -17.555 1.00 0.00 O ATOM 0 H SER A 9 -29.973 16.098 -15.433 1.00 0.00 H new ATOM 0 HA SER A 9 -30.080 13.478 -16.619 1.00 0.00 H new ATOM 0 HB2 SER A 9 -27.443 14.767 -15.837 1.00 0.00 H new ATOM 0 HB3 SER A 9 -27.665 13.045 -15.598 1.00 0.00 H new ATOM 0 HG SER A 9 -28.495 14.114 -18.075 1.00 0.00 H new ATOM 118 N VAL A 10 -29.906 12.455 -14.194 1.00 0.00 N ATOM 119 CA VAL A 10 -30.359 11.902 -12.898 1.00 0.00 C ATOM 120 C VAL A 10 -29.454 12.363 -11.744 1.00 0.00 C ATOM 121 O VAL A 10 -28.507 11.682 -11.335 1.00 0.00 O ATOM 122 CB VAL A 10 -30.477 10.360 -12.931 1.00 0.00 C ATOM 123 CG1 VAL A 10 -31.105 9.816 -11.637 1.00 0.00 C ATOM 124 CG2 VAL A 10 -31.352 9.866 -14.086 1.00 0.00 C ATOM 0 H VAL A 10 -29.592 11.733 -14.843 1.00 0.00 H new ATOM 0 HA VAL A 10 -31.359 12.297 -12.719 1.00 0.00 H new ATOM 0 HB VAL A 10 -29.456 9.998 -13.053 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -31.173 8.730 -11.694 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -30.485 10.096 -10.786 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -32.103 10.236 -11.513 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -31.402 8.777 -14.064 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -32.356 10.278 -13.984 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -30.921 10.191 -15.033 1.00 0.00 H new ATOM 134 N CYS A 11 -29.773 13.537 -11.198 1.00 0.00 N ATOM 135 CA CYS A 11 -28.926 14.255 -10.252 1.00 0.00 C ATOM 136 C CYS A 11 -28.554 13.400 -9.034 1.00 0.00 C ATOM 137 O CYS A 11 -29.436 12.803 -8.408 1.00 0.00 O ATOM 138 CB CYS A 11 -29.673 15.503 -9.794 1.00 0.00 C ATOM 139 SG CYS A 11 -28.701 16.605 -8.738 1.00 0.00 S ATOM 0 H CYS A 11 -30.645 14.023 -11.407 1.00 0.00 H new ATOM 0 HA CYS A 11 -27.994 14.515 -10.754 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -30.003 16.058 -10.672 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -30.569 15.198 -9.254 1.00 0.00 H new ATOM 144 N SER A 12 -27.268 13.333 -8.686 1.00 0.00 N ATOM 145 CA SER A 12 -26.768 12.547 -7.551 1.00 0.00 C ATOM 146 C SER A 12 -25.654 13.255 -6.768 1.00 0.00 C ATOM 147 O SER A 12 -24.991 14.167 -7.271 1.00 0.00 O ATOM 148 CB SER A 12 -26.365 11.144 -8.014 1.00 0.00 C ATOM 149 OG SER A 12 -27.524 10.463 -8.471 1.00 0.00 O ATOM 0 H SER A 12 -26.533 13.829 -9.190 1.00 0.00 H new ATOM 0 HA SER A 12 -27.586 12.445 -6.838 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.625 11.208 -8.812 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.903 10.594 -7.194 1.00 0.00 H new ATOM 0 HG SER A 12 -27.799 10.830 -9.337 1.00 0.00 H new ATOM 155 N LEU A 13 -25.506 12.843 -5.502 1.00 0.00 N ATOM 156 CA LEU A 13 -25.013 13.665 -4.387 1.00 0.00 C ATOM 157 C LEU A 13 -23.555 14.141 -4.501 1.00 0.00 C ATOM 158 O LEU A 13 -23.242 15.215 -4.008 1.00 0.00 O ATOM 159 CB LEU A 13 -25.239 12.893 -3.071 1.00 0.00 C ATOM 160 CG LEU A 13 -26.697 12.454 -2.803 1.00 0.00 C ATOM 161 CD1 LEU A 13 -26.783 11.622 -1.526 1.00 0.00 C ATOM 162 CD2 LEU A 13 -27.661 13.635 -2.681 1.00 0.00 C ATOM 0 H LEU A 13 -25.735 11.892 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 13 -25.588 14.591 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -24.605 12.006 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -24.907 13.517 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 13 -26.995 11.860 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -27.817 11.323 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -26.161 10.733 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -26.433 12.215 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -28.669 13.264 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -27.350 14.275 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -27.652 14.209 -3.608 1.00 0.00 H new ATOM 174 N TYR A 14 -22.699 13.420 -5.234 1.00 0.00 N ATOM 175 CA TYR A 14 -21.299 13.804 -5.472 1.00 0.00 C ATOM 176 C TYR A 14 -21.147 15.205 -6.102 1.00 0.00 C ATOM 177 O TYR A 14 -20.174 15.905 -5.834 1.00 0.00 O ATOM 178 CB TYR A 14 -20.636 12.745 -6.372 1.00 0.00 C ATOM 179 CG TYR A 14 -20.990 11.301 -6.035 1.00 0.00 C ATOM 180 CD1 TYR A 14 -20.567 10.735 -4.816 1.00 0.00 C ATOM 181 CD2 TYR A 14 -21.776 10.539 -6.924 1.00 0.00 C ATOM 182 CE1 TYR A 14 -20.927 9.414 -4.484 1.00 0.00 C ATOM 183 CE2 TYR A 14 -22.138 9.217 -6.594 1.00 0.00 C ATOM 184 CZ TYR A 14 -21.709 8.650 -5.375 1.00 0.00 C ATOM 185 OH TYR A 14 -22.055 7.373 -5.066 1.00 0.00 O ATOM 0 H TYR A 14 -22.960 12.543 -5.685 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.805 13.852 -4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -20.918 12.941 -7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.554 12.862 -6.309 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -19.964 11.316 -4.134 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -22.101 10.969 -7.860 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -20.604 8.986 -3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -22.744 8.638 -7.275 1.00 0.00 H new ATOM 0 HH TYR A 14 -22.595 6.996 -5.791 1.00 0.00 H new ATOM 195 N GLN A 15 -22.130 15.639 -6.903 1.00 0.00 N ATOM 196 CA GLN A 15 -22.202 17.000 -7.459 1.00 0.00 C ATOM 197 C GLN A 15 -22.546 18.066 -6.396 1.00 0.00 C ATOM 198 O GLN A 15 -22.285 19.247 -6.597 1.00 0.00 O ATOM 199 CB GLN A 15 -23.288 17.053 -8.550 1.00 0.00 C ATOM 200 CG GLN A 15 -23.092 16.096 -9.748 1.00 0.00 C ATOM 201 CD GLN A 15 -24.389 15.882 -10.533 1.00 0.00 C ATOM 202 OE1 GLN A 15 -24.506 16.109 -11.722 1.00 0.00 O ATOM 203 NE2 GLN A 15 -25.455 15.467 -9.890 1.00 0.00 N ATOM 0 H GLN A 15 -22.910 15.046 -7.188 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.214 17.225 -7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -24.250 16.832 -8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -23.343 18.073 -8.930 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -22.329 16.500 -10.413 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -22.724 15.135 -9.388 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -25.402 15.265 -8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -26.337 15.347 -10.389 1.00 0.00 H new ATOM 212 N LEU A 16 -23.167 17.676 -5.282 1.00 0.00 N ATOM 213 CA LEU A 16 -23.580 18.560 -4.189 1.00 0.00 C ATOM 214 C LEU A 16 -22.462 18.714 -3.148 1.00 0.00 C ATOM 215 O LEU A 16 -22.205 19.836 -2.712 1.00 0.00 O ATOM 216 CB LEU A 16 -24.883 18.024 -3.565 1.00 0.00 C ATOM 217 CG LEU A 16 -25.999 17.675 -4.569 1.00 0.00 C ATOM 218 CD1 LEU A 16 -27.264 17.259 -3.827 1.00 0.00 C ATOM 219 CD2 LEU A 16 -26.385 18.832 -5.492 1.00 0.00 C ATOM 0 H LEU A 16 -23.405 16.699 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 16 -23.773 19.557 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -24.648 17.132 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.265 18.768 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.592 16.867 -5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.045 17.015 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.053 16.385 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -27.600 18.079 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.176 18.509 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -26.740 19.672 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.515 19.141 -6.071 1.00 0.00 H new ATOM 231 N GLU A 17 -21.725 17.635 -2.846 1.00 0.00 N ATOM 232 CA GLU A 17 -20.482 17.715 -2.052 1.00 0.00 C ATOM 233 C GLU A 17 -19.513 18.772 -2.621 1.00 0.00 C ATOM 234 O GLU A 17 -18.982 19.622 -1.909 1.00 0.00 O ATOM 235 CB GLU A 17 -19.733 16.368 -2.072 1.00 0.00 C ATOM 236 CG GLU A 17 -20.528 15.098 -1.746 1.00 0.00 C ATOM 237 CD GLU A 17 -21.248 15.129 -0.398 1.00 0.00 C ATOM 238 OE1 GLU A 17 -20.800 15.869 0.497 1.00 0.00 O ATOM 239 OE2 GLU A 17 -22.251 14.384 -0.287 1.00 0.00 O ATOM 0 H GLU A 17 -21.967 16.689 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.782 17.983 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.296 16.243 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.906 16.435 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.264 14.933 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.849 14.246 -1.761 1.00 0.00 H new ATOM 246 N ASN A 18 -19.338 18.765 -3.949 1.00 0.00 N ATOM 247 CA ASN A 18 -18.476 19.673 -4.720 1.00 0.00 C ATOM 248 C ASN A 18 -18.803 21.177 -4.555 1.00 0.00 C ATOM 249 O ASN A 18 -17.995 22.023 -4.938 1.00 0.00 O ATOM 250 CB ASN A 18 -18.611 19.230 -6.193 1.00 0.00 C ATOM 251 CG ASN A 18 -17.873 20.119 -7.182 1.00 0.00 C ATOM 252 OD1 ASN A 18 -18.462 20.784 -8.014 1.00 0.00 O ATOM 253 ND2 ASN A 18 -16.565 20.195 -7.105 1.00 0.00 N ATOM 0 H ASN A 18 -19.818 18.092 -4.546 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.455 19.595 -4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.238 18.210 -6.290 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -19.668 19.209 -6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.052 20.807 -7.739 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -16.062 19.642 -6.411 1.00 0.00 H new ATOM 260 N TYR A 19 -19.984 21.522 -4.037 1.00 0.00 N ATOM 261 CA TYR A 19 -20.538 22.880 -4.069 1.00 0.00 C ATOM 262 C TYR A 19 -20.720 23.536 -2.690 1.00 0.00 C ATOM 263 O TYR A 19 -21.219 24.670 -2.619 1.00 0.00 O ATOM 264 CB TYR A 19 -21.835 22.842 -4.906 1.00 0.00 C ATOM 265 CG TYR A 19 -21.677 23.619 -6.194 1.00 0.00 C ATOM 266 CD1 TYR A 19 -22.415 24.796 -6.405 1.00 0.00 C ATOM 267 CD2 TYR A 19 -20.700 23.224 -7.124 1.00 0.00 C ATOM 268 CE1 TYR A 19 -22.111 25.627 -7.495 1.00 0.00 C ATOM 269 CE2 TYR A 19 -20.424 24.024 -8.245 1.00 0.00 C ATOM 270 CZ TYR A 19 -21.110 25.239 -8.413 1.00 0.00 C ATOM 271 OH TYR A 19 -20.808 26.039 -9.462 1.00 0.00 O ATOM 0 H TYR A 19 -20.596 20.851 -3.573 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.809 23.538 -4.542 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.095 21.808 -5.132 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -22.658 23.259 -4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -23.215 25.061 -5.730 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -20.159 22.301 -6.976 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.640 26.559 -7.631 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.691 23.708 -8.972 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.079 26.644 -9.213 1.00 0.00 H new ATOM 281 N CYS A 20 -20.321 22.853 -1.612 1.00 0.00 N ATOM 282 CA CYS A 20 -20.769 23.150 -0.251 1.00 0.00 C ATOM 283 C CYS A 20 -19.645 23.103 0.806 1.00 0.00 C ATOM 284 O CYS A 20 -18.458 23.085 0.475 1.00 0.00 O ATOM 285 CB CYS A 20 -21.942 22.202 0.051 1.00 0.00 C ATOM 286 SG CYS A 20 -23.349 23.046 0.804 1.00 0.00 S ATOM 0 H CYS A 20 -19.670 22.069 -1.663 1.00 0.00 H new ATOM 0 HA CYS A 20 -21.100 24.187 -0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -22.264 21.724 -0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -21.600 21.410 0.717 1.00 0.00 H new ATOM 291 N ASN A 21 -20.029 23.160 2.086 1.00 0.00 N ATOM 292 CA ASN A 21 -19.167 23.115 3.278 1.00 0.00 C ATOM 293 C ASN A 21 -19.649 22.031 4.275 1.00 0.00 C ATOM 294 O ASN A 21 -20.493 21.185 3.894 1.00 0.00 O ATOM 295 CB ASN A 21 -19.060 24.554 3.879 1.00 0.00 C ATOM 296 CG ASN A 21 -18.328 25.619 3.050 1.00 0.00 C ATOM 297 OD1 ASN A 21 -18.416 26.813 3.292 1.00 0.00 O ATOM 298 ND2 ASN A 21 -17.575 25.269 2.031 1.00 0.00 N ATOM 299 OXT ASN A 21 -19.180 22.001 5.425 1.00 0.00 O ATOM 0 H ASN A 21 -21.014 23.244 2.336 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.156 22.808 3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -20.071 24.914 4.071 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.560 24.478 4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -17.096 25.983 1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.470 24.284 1.789 1.00 0.00 H new TER 306 ASN A 21 ATOM 307 N PHE B 1 -30.445 10.412 -7.593 1.00 0.00 N ATOM 308 CA PHE B 1 -30.978 10.642 -6.233 1.00 0.00 C ATOM 309 C PHE B 1 -32.462 10.313 -6.275 1.00 0.00 C ATOM 310 O PHE B 1 -32.762 9.131 -6.374 1.00 0.00 O ATOM 311 CB PHE B 1 -30.634 12.040 -5.688 1.00 0.00 C ATOM 312 CG PHE B 1 -31.219 12.356 -4.326 1.00 0.00 C ATOM 313 CD1 PHE B 1 -30.924 11.539 -3.216 1.00 0.00 C ATOM 314 CD2 PHE B 1 -32.073 13.466 -4.166 1.00 0.00 C ATOM 315 CE1 PHE B 1 -31.498 11.819 -1.964 1.00 0.00 C ATOM 316 CE2 PHE B 1 -32.650 13.741 -2.916 1.00 0.00 C ATOM 317 CZ PHE B 1 -32.364 12.916 -1.815 1.00 0.00 C ATOM 0 H1 PHE B 1 -29.548 9.890 -7.531 1.00 0.00 H new ATOM 0 H2 PHE B 1 -31.130 9.858 -8.145 1.00 0.00 H new ATOM 0 H3 PHE B 1 -30.282 11.326 -8.061 1.00 0.00 H new ATOM 0 HA PHE B 1 -30.498 9.986 -5.507 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -29.550 12.136 -5.632 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -30.984 12.788 -6.400 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -30.257 10.697 -3.328 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -32.284 14.108 -5.009 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -31.273 11.190 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -33.313 14.586 -2.801 1.00 0.00 H new ATOM 0 HZ PHE B 1 -32.810 13.125 -0.854 1.00 0.00 H new ATOM 329 N VAL B 2 -33.358 11.300 -6.398 1.00 0.00 N ATOM 330 CA VAL B 2 -34.649 11.084 -7.074 1.00 0.00 C ATOM 331 C VAL B 2 -34.394 10.563 -8.500 1.00 0.00 C ATOM 332 O VAL B 2 -33.329 10.808 -9.075 1.00 0.00 O ATOM 333 CB VAL B 2 -35.510 12.368 -7.025 1.00 0.00 C ATOM 334 CG1 VAL B 2 -34.978 13.476 -7.946 1.00 0.00 C ATOM 335 CG2 VAL B 2 -36.981 12.089 -7.356 1.00 0.00 C ATOM 0 H VAL B 2 -33.218 12.246 -6.044 1.00 0.00 H new ATOM 0 HA VAL B 2 -35.229 10.322 -6.554 1.00 0.00 H new ATOM 0 HB VAL B 2 -35.442 12.721 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -35.622 14.352 -7.870 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -33.965 13.743 -7.646 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -34.970 13.120 -8.976 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -37.547 13.019 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -37.055 11.669 -8.359 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -37.388 11.380 -6.635 1.00 0.00 H new ATOM 345 N ASN B 3 -35.337 9.803 -9.051 1.00 0.00 N ATOM 346 CA ASN B 3 -35.189 9.014 -10.281 1.00 0.00 C ATOM 347 C ASN B 3 -35.214 9.832 -11.594 1.00 0.00 C ATOM 348 O ASN B 3 -35.398 9.255 -12.663 1.00 0.00 O ATOM 349 CB ASN B 3 -36.276 7.916 -10.285 1.00 0.00 C ATOM 350 CG ASN B 3 -36.397 7.176 -8.965 1.00 0.00 C ATOM 351 OD1 ASN B 3 -36.901 7.704 -7.988 1.00 0.00 O ATOM 352 ND2 ASN B 3 -35.907 5.963 -8.879 1.00 0.00 N ATOM 0 H ASN B 3 -36.266 9.713 -8.639 1.00 0.00 H new ATOM 0 HA ASN B 3 -34.189 8.581 -10.264 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -37.237 8.369 -10.527 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -36.053 7.199 -11.075 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -35.947 5.459 -7.993 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -35.486 5.524 -9.698 1.00 0.00 H new ATOM 359 N GLN B 4 -35.091 11.162 -11.529 1.00 0.00 N ATOM 360 CA GLN B 4 -35.425 12.067 -12.633 1.00 0.00 C ATOM 361 C GLN B 4 -34.534 13.316 -12.672 1.00 0.00 C ATOM 362 O GLN B 4 -33.822 13.630 -11.719 1.00 0.00 O ATOM 363 CB GLN B 4 -36.930 12.411 -12.582 1.00 0.00 C ATOM 364 CG GLN B 4 -37.369 13.247 -11.358 1.00 0.00 C ATOM 365 CD GLN B 4 -38.892 13.418 -11.241 1.00 0.00 C ATOM 366 OE1 GLN B 4 -39.680 12.874 -11.995 1.00 0.00 O ATOM 367 NE2 GLN B 4 -39.389 14.171 -10.280 1.00 0.00 N ATOM 0 H GLN B 4 -34.752 11.646 -10.697 1.00 0.00 H new ATOM 0 HA GLN B 4 -35.220 11.550 -13.571 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -37.193 12.956 -13.488 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -37.500 11.482 -12.592 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -36.995 12.772 -10.451 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -36.905 14.232 -11.416 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -38.764 14.644 -9.628 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -40.399 14.281 -10.189 1.00 0.00 H new ATOM 376 N HIS B 5 -34.602 14.023 -13.800 1.00 0.00 N ATOM 377 CA HIS B 5 -33.675 15.085 -14.234 1.00 0.00 C ATOM 378 C HIS B 5 -34.120 16.513 -13.835 1.00 0.00 C ATOM 379 O HIS B 5 -33.876 17.476 -14.561 1.00 0.00 O ATOM 380 CB HIS B 5 -33.468 14.936 -15.761 1.00 0.00 C ATOM 381 CG HIS B 5 -33.539 13.514 -16.291 1.00 0.00 C ATOM 382 ND1 HIS B 5 -32.783 12.426 -15.846 1.00 0.00 N ATOM 383 CD2 HIS B 5 -34.432 13.071 -17.223 1.00 0.00 C ATOM 384 CE1 HIS B 5 -33.229 11.359 -16.533 1.00 0.00 C ATOM 385 NE2 HIS B 5 -34.219 11.715 -17.364 1.00 0.00 N ATOM 0 H HIS B 5 -35.346 13.866 -14.479 1.00 0.00 H new ATOM 0 HA HIS B 5 -32.729 14.957 -13.709 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -34.221 15.535 -16.273 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -32.496 15.355 -16.022 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -35.164 13.667 -17.749 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -32.843 10.356 -16.430 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -34.727 11.092 -17.992 1.00 0.00 H new ATOM 393 N LEU B 6 -34.901 16.629 -12.753 1.00 0.00 N ATOM 394 CA LEU B 6 -35.789 17.775 -12.544 1.00 0.00 C ATOM 395 C LEU B 6 -35.078 18.944 -11.839 1.00 0.00 C ATOM 396 O LEU B 6 -34.751 18.893 -10.656 1.00 0.00 O ATOM 397 CB LEU B 6 -37.102 17.312 -11.877 1.00 0.00 C ATOM 398 CG LEU B 6 -38.332 18.225 -12.078 1.00 0.00 C ATOM 399 CD1 LEU B 6 -38.225 19.582 -11.389 1.00 0.00 C ATOM 400 CD2 LEU B 6 -38.639 18.470 -13.560 1.00 0.00 C ATOM 0 H LEU B 6 -34.934 15.936 -12.005 1.00 0.00 H new ATOM 0 HA LEU B 6 -36.071 18.193 -13.511 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -37.347 16.320 -12.256 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -36.924 17.209 -10.807 1.00 0.00 H new ATOM 0 HG LEU B 6 -39.143 17.667 -11.609 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -39.129 20.160 -11.581 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -38.108 19.437 -10.315 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -37.361 20.121 -11.778 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -39.512 19.117 -13.649 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -37.783 18.949 -14.035 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -38.841 17.519 -14.052 1.00 0.00 H new ATOM 412 N CYS B 7 -34.873 20.001 -12.622 1.00 0.00 N ATOM 413 CA CYS B 7 -34.129 21.216 -12.312 1.00 0.00 C ATOM 414 C CYS B 7 -34.678 22.029 -11.123 1.00 0.00 C ATOM 415 O CYS B 7 -35.890 22.132 -10.939 1.00 0.00 O ATOM 416 CB CYS B 7 -34.195 22.061 -13.591 1.00 0.00 C ATOM 417 SG CYS B 7 -33.071 23.470 -13.714 1.00 0.00 S ATOM 0 H CYS B 7 -35.255 20.030 -13.567 1.00 0.00 H new ATOM 0 HA CYS B 7 -33.119 20.944 -12.007 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -34.005 21.404 -14.439 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -35.214 22.433 -13.697 1.00 0.00 H new ATOM 422 N GLY B 8 -33.792 22.722 -10.397 1.00 0.00 N ATOM 423 CA GLY B 8 -34.146 23.756 -9.416 1.00 0.00 C ATOM 424 C GLY B 8 -34.067 23.320 -7.948 1.00 0.00 C ATOM 425 O GLY B 8 -33.111 22.666 -7.529 1.00 0.00 O ATOM 0 H GLY B 8 -32.786 22.576 -10.477 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -33.486 24.611 -9.560 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -35.160 24.098 -9.622 1.00 0.00 H new ATOM 429 N SER B 9 -35.045 23.755 -7.146 1.00 0.00 N ATOM 430 CA SER B 9 -34.982 23.738 -5.674 1.00 0.00 C ATOM 431 C SER B 9 -34.860 22.349 -5.040 1.00 0.00 C ATOM 432 O SER B 9 -34.280 22.242 -3.964 1.00 0.00 O ATOM 433 CB SER B 9 -36.208 24.434 -5.079 1.00 0.00 C ATOM 434 OG SER B 9 -36.362 25.716 -5.660 1.00 0.00 O ATOM 0 H SER B 9 -35.920 24.136 -7.505 1.00 0.00 H new ATOM 0 HA SER B 9 -34.060 24.269 -5.437 1.00 0.00 H new ATOM 0 HB2 SER B 9 -37.100 23.834 -5.258 1.00 0.00 H new ATOM 0 HB3 SER B 9 -36.097 24.525 -3.999 1.00 0.00 H new ATOM 0 HG SER B 9 -37.149 26.156 -5.277 1.00 0.00 H new ATOM 440 N HIS B 10 -35.308 21.280 -5.705 1.00 0.00 N ATOM 441 CA HIS B 10 -35.146 19.896 -5.219 1.00 0.00 C ATOM 442 C HIS B 10 -33.673 19.513 -5.008 1.00 0.00 C ATOM 443 O HIS B 10 -33.338 18.678 -4.168 1.00 0.00 O ATOM 444 CB HIS B 10 -35.825 18.936 -6.208 1.00 0.00 C ATOM 445 CG HIS B 10 -37.296 19.203 -6.453 1.00 0.00 C ATOM 446 ND1 HIS B 10 -38.006 18.790 -7.584 1.00 0.00 N ATOM 447 CD2 HIS B 10 -38.160 19.824 -5.598 1.00 0.00 C ATOM 448 CE1 HIS B 10 -39.272 19.188 -7.387 1.00 0.00 C ATOM 449 NE2 HIS B 10 -39.395 19.808 -6.204 1.00 0.00 N ATOM 0 H HIS B 10 -35.795 21.345 -6.599 1.00 0.00 H new ATOM 0 HA HIS B 10 -35.622 19.821 -4.241 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.298 18.988 -7.161 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -35.713 17.917 -5.837 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -37.921 20.246 -4.633 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -40.081 19.031 -8.085 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -40.255 20.200 -5.820 1.00 0.00 H new ATOM 457 N LEU B 11 -32.761 20.150 -5.750 1.00 0.00 N ATOM 458 CA LEU B 11 -31.314 19.968 -5.592 1.00 0.00 C ATOM 459 C LEU B 11 -30.725 20.829 -4.457 1.00 0.00 C ATOM 460 O LEU B 11 -29.687 20.484 -3.896 1.00 0.00 O ATOM 461 CB LEU B 11 -30.610 20.228 -6.935 1.00 0.00 C ATOM 462 CG LEU B 11 -31.058 19.386 -8.152 1.00 0.00 C ATOM 463 CD1 LEU B 11 -31.590 17.986 -7.823 1.00 0.00 C ATOM 464 CD2 LEU B 11 -32.076 20.083 -9.056 1.00 0.00 C ATOM 0 H LEU B 11 -33.009 20.813 -6.484 1.00 0.00 H new ATOM 0 HA LEU B 11 -31.136 18.934 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -30.744 21.280 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -29.541 20.068 -6.791 1.00 0.00 H new ATOM 0 HG LEU B 11 -30.115 19.272 -8.687 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -31.877 17.480 -8.745 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -30.813 17.411 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -32.459 18.071 -7.171 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -32.337 19.425 -9.885 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -32.973 20.317 -8.482 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -31.645 21.005 -9.447 1.00 0.00 H new ATOM 476 N VAL B 12 -31.412 21.911 -4.072 1.00 0.00 N ATOM 477 CA VAL B 12 -31.163 22.706 -2.852 1.00 0.00 C ATOM 478 C VAL B 12 -31.661 21.974 -1.601 1.00 0.00 C ATOM 479 O VAL B 12 -30.966 21.961 -0.589 1.00 0.00 O ATOM 480 CB VAL B 12 -31.778 24.119 -3.013 1.00 0.00 C ATOM 481 CG1 VAL B 12 -32.439 24.719 -1.766 1.00 0.00 C ATOM 482 CG2 VAL B 12 -30.697 25.081 -3.521 1.00 0.00 C ATOM 0 H VAL B 12 -32.190 22.276 -4.621 1.00 0.00 H new ATOM 0 HA VAL B 12 -30.089 22.831 -2.715 1.00 0.00 H new ATOM 0 HB VAL B 12 -32.593 23.990 -3.725 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -32.832 25.708 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -33.254 24.073 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -31.701 24.803 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -31.122 26.078 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -29.877 25.118 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -30.323 24.732 -4.483 1.00 0.00 H new ATOM 492 N GLU B 13 -32.799 21.284 -1.674 1.00 0.00 N ATOM 493 CA GLU B 13 -33.271 20.370 -0.621 1.00 0.00 C ATOM 494 C GLU B 13 -32.314 19.175 -0.446 1.00 0.00 C ATOM 495 O GLU B 13 -31.938 18.842 0.677 1.00 0.00 O ATOM 496 CB GLU B 13 -34.698 19.916 -0.949 1.00 0.00 C ATOM 497 CG GLU B 13 -35.702 21.083 -0.842 1.00 0.00 C ATOM 498 CD GLU B 13 -37.038 20.836 -1.565 1.00 0.00 C ATOM 499 OE1 GLU B 13 -37.082 19.955 -2.453 1.00 0.00 O ATOM 500 OE2 GLU B 13 -38.005 21.570 -1.256 1.00 0.00 O ATOM 0 H GLU B 13 -33.430 21.341 -2.473 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.284 20.897 0.333 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -34.726 19.502 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -34.993 19.118 -0.268 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -35.903 21.279 0.211 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.241 21.982 -1.251 1.00 0.00 H new ATOM 507 N ALA B 14 -31.798 18.607 -1.542 1.00 0.00 N ATOM 508 CA ALA B 14 -30.724 17.614 -1.491 1.00 0.00 C ATOM 509 C ALA B 14 -29.391 18.152 -0.920 1.00 0.00 C ATOM 510 O ALA B 14 -28.634 17.382 -0.336 1.00 0.00 O ATOM 511 CB ALA B 14 -30.544 17.020 -2.890 1.00 0.00 C ATOM 0 H ALA B 14 -32.114 18.824 -2.487 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.023 16.838 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -29.747 16.277 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -31.473 16.546 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.284 17.813 -3.591 1.00 0.00 H new ATOM 517 N LEU B 15 -29.116 19.463 -1.012 1.00 0.00 N ATOM 518 CA LEU B 15 -28.004 20.105 -0.291 1.00 0.00 C ATOM 519 C LEU B 15 -28.305 20.260 1.210 1.00 0.00 C ATOM 520 O LEU B 15 -27.409 20.054 2.031 1.00 0.00 O ATOM 521 CB LEU B 15 -27.653 21.463 -0.932 1.00 0.00 C ATOM 522 CG LEU B 15 -26.800 21.348 -2.208 1.00 0.00 C ATOM 523 CD1 LEU B 15 -27.019 22.560 -3.122 1.00 0.00 C ATOM 524 CD2 LEU B 15 -25.313 21.310 -1.843 1.00 0.00 C ATOM 0 H LEU B 15 -29.658 20.108 -1.588 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.136 19.451 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -28.576 21.991 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -27.118 22.071 -0.202 1.00 0.00 H new ATOM 0 HG LEU B 15 -27.098 20.434 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.406 22.456 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -28.070 22.616 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -26.737 23.470 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -24.717 21.229 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -25.045 22.224 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -25.117 20.450 -1.203 1.00 0.00 H new ATOM 536 N TYR B 16 -29.547 20.563 1.617 1.00 0.00 N ATOM 537 CA TYR B 16 -29.928 20.535 3.039 1.00 0.00 C ATOM 538 C TYR B 16 -29.769 19.141 3.671 1.00 0.00 C ATOM 539 O TYR B 16 -29.407 19.062 4.843 1.00 0.00 O ATOM 540 CB TYR B 16 -31.343 21.092 3.253 1.00 0.00 C ATOM 541 CG TYR B 16 -31.384 22.602 3.393 1.00 0.00 C ATOM 542 CD1 TYR B 16 -30.898 23.201 4.573 1.00 0.00 C ATOM 543 CD2 TYR B 16 -31.900 23.410 2.362 1.00 0.00 C ATOM 544 CE1 TYR B 16 -30.904 24.601 4.718 1.00 0.00 C ATOM 545 CE2 TYR B 16 -31.912 24.813 2.505 1.00 0.00 C ATOM 546 CZ TYR B 16 -31.415 25.413 3.681 1.00 0.00 C ATOM 547 OH TYR B 16 -31.432 26.766 3.818 1.00 0.00 O ATOM 0 H TYR B 16 -30.302 20.829 0.985 1.00 0.00 H new ATOM 0 HA TYR B 16 -29.229 21.190 3.559 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -31.972 20.796 2.414 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.771 20.640 4.148 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -30.518 22.581 5.372 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -32.287 22.956 1.462 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -30.519 25.053 5.620 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -32.304 25.431 1.710 1.00 0.00 H new ATOM 0 HH TYR B 16 -31.815 27.172 3.012 1.00 0.00 H new ATOM 557 N LEU B 17 -29.950 18.056 2.912 1.00 0.00 N ATOM 558 CA LEU B 17 -29.776 16.670 3.380 1.00 0.00 C ATOM 559 C LEU B 17 -28.304 16.209 3.523 1.00 0.00 C ATOM 560 O LEU B 17 -28.072 15.054 3.876 1.00 0.00 O ATOM 561 CB LEU B 17 -30.579 15.737 2.449 1.00 0.00 C ATOM 562 CG LEU B 17 -32.110 15.921 2.505 1.00 0.00 C ATOM 563 CD1 LEU B 17 -32.772 15.120 1.383 1.00 0.00 C ATOM 564 CD2 LEU B 17 -32.696 15.447 3.837 1.00 0.00 C ATOM 0 H LEU B 17 -30.228 18.114 1.932 1.00 0.00 H new ATOM 0 HA LEU B 17 -30.160 16.622 4.399 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -30.246 15.897 1.424 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -30.343 14.704 2.703 1.00 0.00 H new ATOM 0 HG LEU B 17 -32.307 16.987 2.393 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -33.853 15.255 1.429 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -32.403 15.471 0.419 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -32.533 14.063 1.500 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -33.776 15.595 3.833 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -32.475 14.389 3.975 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -32.255 16.019 4.653 1.00 0.00 H new ATOM 576 N VAL B 18 -27.318 17.082 3.271 1.00 0.00 N ATOM 577 CA VAL B 18 -25.871 16.750 3.254 1.00 0.00 C ATOM 578 C VAL B 18 -25.012 17.814 3.955 1.00 0.00 C ATOM 579 O VAL B 18 -24.136 17.512 4.772 1.00 0.00 O ATOM 580 CB VAL B 18 -25.410 16.581 1.786 1.00 0.00 C ATOM 581 CG1 VAL B 18 -23.897 16.428 1.633 1.00 0.00 C ATOM 582 CG2 VAL B 18 -26.065 15.367 1.117 1.00 0.00 C ATOM 0 H VAL B 18 -27.501 18.065 3.067 1.00 0.00 H new ATOM 0 HA VAL B 18 -25.735 15.821 3.808 1.00 0.00 H new ATOM 0 HB VAL B 18 -25.723 17.505 1.300 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -23.648 16.314 0.578 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -23.400 17.313 2.030 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -23.563 15.547 2.182 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -25.714 15.285 0.088 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -25.799 14.463 1.664 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -27.148 15.489 1.122 1.00 0.00 H new ATOM 592 N CYS B 19 -25.280 19.073 3.618 1.00 0.00 N ATOM 593 CA CYS B 19 -24.475 20.236 3.974 1.00 0.00 C ATOM 594 C CYS B 19 -25.188 21.160 4.969 1.00 0.00 C ATOM 595 O CYS B 19 -24.610 21.512 5.995 1.00 0.00 O ATOM 596 CB CYS B 19 -24.126 20.929 2.655 1.00 0.00 C ATOM 597 SG CYS B 19 -23.307 22.528 2.761 1.00 0.00 S ATOM 0 H CYS B 19 -26.101 19.320 3.065 1.00 0.00 H new ATOM 0 HA CYS B 19 -23.568 19.939 4.500 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -23.487 20.259 2.080 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -25.047 21.058 2.086 1.00 0.00 H new ATOM 602 N GLY B 20 -26.460 21.489 4.684 1.00 0.00 N ATOM 603 CA GLY B 20 -27.416 22.222 5.533 1.00 0.00 C ATOM 604 C GLY B 20 -26.817 23.242 6.512 1.00 0.00 C ATOM 605 O GLY B 20 -26.630 24.408 6.175 1.00 0.00 O ATOM 0 H GLY B 20 -26.877 21.231 3.790 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -28.119 22.744 4.884 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -27.991 21.495 6.106 1.00 0.00 H new ATOM 609 N GLU B 21 -26.527 22.745 7.712 1.00 0.00 N ATOM 610 CA GLU B 21 -25.854 23.371 8.857 1.00 0.00 C ATOM 611 C GLU B 21 -24.706 24.326 8.494 1.00 0.00 C ATOM 612 O GLU B 21 -24.630 25.416 9.060 1.00 0.00 O ATOM 613 CB GLU B 21 -25.341 22.176 9.687 1.00 0.00 C ATOM 614 CG GLU B 21 -24.359 22.443 10.841 1.00 0.00 C ATOM 615 CD GLU B 21 -23.680 21.139 11.314 1.00 0.00 C ATOM 616 OE1 GLU B 21 -23.354 20.293 10.441 1.00 0.00 O ATOM 617 OE2 GLU B 21 -23.490 21.000 12.543 1.00 0.00 O ATOM 0 H GLU B 21 -26.786 21.784 7.935 1.00 0.00 H new ATOM 0 HA GLU B 21 -26.549 24.019 9.392 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -26.210 21.666 10.104 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -24.862 21.479 9.000 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -23.599 23.154 10.517 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -24.891 22.902 11.675 1.00 0.00 H new ATOM 624 N ARG B 22 -23.818 23.929 7.570 1.00 0.00 N ATOM 625 CA ARG B 22 -22.600 24.687 7.226 1.00 0.00 C ATOM 626 C ARG B 22 -22.785 25.763 6.142 1.00 0.00 C ATOM 627 O ARG B 22 -21.883 26.571 5.939 1.00 0.00 O ATOM 628 CB ARG B 22 -21.460 23.717 6.869 1.00 0.00 C ATOM 629 CG ARG B 22 -20.999 22.842 8.055 1.00 0.00 C ATOM 630 CD ARG B 22 -21.622 21.440 8.095 1.00 0.00 C ATOM 631 NE ARG B 22 -21.198 20.642 6.938 1.00 0.00 N ATOM 632 CZ ARG B 22 -21.728 19.509 6.525 1.00 0.00 C ATOM 633 NH1 ARG B 22 -22.589 18.826 7.233 1.00 0.00 N ATOM 634 NH2 ARG B 22 -21.401 19.047 5.357 1.00 0.00 N ATOM 0 H ARG B 22 -23.924 23.067 7.035 1.00 0.00 H new ATOM 0 HA ARG B 22 -22.339 25.253 8.121 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -21.787 23.069 6.056 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -20.610 24.289 6.498 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -19.914 22.742 8.016 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -21.238 23.358 8.985 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -21.331 20.935 9.016 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -22.709 21.521 8.106 1.00 0.00 H new ATOM 0 HE ARG B 22 -20.411 21.002 6.398 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -22.879 19.166 8.150 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -22.971 17.953 6.868 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -20.742 19.560 4.772 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -21.803 18.171 5.024 1.00 0.00 H new ATOM 648 N GLY B 23 -23.944 25.821 5.480 1.00 0.00 N ATOM 649 CA GLY B 23 -24.236 26.816 4.438 1.00 0.00 C ATOM 650 C GLY B 23 -23.638 26.502 3.055 1.00 0.00 C ATOM 651 O GLY B 23 -22.682 25.745 2.908 1.00 0.00 O ATOM 0 H GLY B 23 -24.714 25.174 5.652 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -25.317 26.908 4.337 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -23.863 27.786 4.767 1.00 0.00 H new ATOM 655 N PHE B 24 -24.257 27.050 2.005 1.00 0.00 N ATOM 656 CA PHE B 24 -23.969 26.674 0.616 1.00 0.00 C ATOM 657 C PHE B 24 -23.021 27.691 -0.046 1.00 0.00 C ATOM 658 O PHE B 24 -23.411 28.830 -0.295 1.00 0.00 O ATOM 659 CB PHE B 24 -25.285 26.531 -0.176 1.00 0.00 C ATOM 660 CG PHE B 24 -26.385 25.598 0.333 1.00 0.00 C ATOM 661 CD1 PHE B 24 -26.234 24.750 1.454 1.00 0.00 C ATOM 662 CD2 PHE B 24 -27.619 25.603 -0.348 1.00 0.00 C ATOM 663 CE1 PHE B 24 -27.303 23.953 1.898 1.00 0.00 C ATOM 664 CE2 PHE B 24 -28.682 24.798 0.090 1.00 0.00 C ATOM 665 CZ PHE B 24 -28.530 23.979 1.218 1.00 0.00 C ATOM 0 H PHE B 24 -24.975 27.769 2.094 1.00 0.00 H new ATOM 0 HA PHE B 24 -23.461 25.709 0.612 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -25.720 27.527 -0.265 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -25.024 26.206 -1.183 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -25.288 24.714 1.974 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -27.748 26.233 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -27.180 23.320 2.764 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -29.621 24.809 -0.444 1.00 0.00 H new ATOM 0 HZ PHE B 24 -29.354 23.371 1.562 1.00 0.00 H new ATOM 675 N PHE B 25 -21.780 27.291 -0.361 1.00 0.00 N ATOM 676 CA PHE B 25 -20.772 28.211 -0.917 1.00 0.00 C ATOM 677 C PHE B 25 -21.026 28.613 -2.387 1.00 0.00 C ATOM 678 O PHE B 25 -20.767 29.755 -2.768 1.00 0.00 O ATOM 679 CB PHE B 25 -19.367 27.621 -0.740 1.00 0.00 C ATOM 680 CG PHE B 25 -18.279 28.596 -1.159 1.00 0.00 C ATOM 681 CD1 PHE B 25 -17.682 28.503 -2.431 1.00 0.00 C ATOM 682 CD2 PHE B 25 -17.902 29.637 -0.289 1.00 0.00 C ATOM 683 CE1 PHE B 25 -16.712 29.443 -2.827 1.00 0.00 C ATOM 684 CE2 PHE B 25 -16.934 30.578 -0.685 1.00 0.00 C ATOM 685 CZ PHE B 25 -16.335 30.480 -1.954 1.00 0.00 C ATOM 0 H PHE B 25 -21.448 26.334 -0.240 1.00 0.00 H new ATOM 0 HA PHE B 25 -20.855 29.138 -0.349 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -19.221 27.342 0.303 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -19.281 26.708 -1.329 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -17.969 27.709 -3.104 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -18.358 29.713 0.687 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -16.256 29.368 -3.803 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -16.651 31.376 -0.014 1.00 0.00 H new ATOM 0 HZ PHE B 25 -15.588 31.199 -2.257 1.00 0.00 H new ATOM 695 N TYR B 26 -21.534 27.673 -3.192 1.00 0.00 N ATOM 696 CA TYR B 26 -22.309 27.868 -4.429 1.00 0.00 C ATOM 697 C TYR B 26 -21.754 28.872 -5.474 1.00 0.00 C ATOM 698 O TYR B 26 -22.220 30.001 -5.592 1.00 0.00 O ATOM 699 CB TYR B 26 -23.783 28.117 -4.048 1.00 0.00 C ATOM 700 CG TYR B 26 -24.767 27.506 -5.026 1.00 0.00 C ATOM 701 CD1 TYR B 26 -24.993 28.116 -6.276 1.00 0.00 C ATOM 702 CD2 TYR B 26 -25.435 26.309 -4.689 1.00 0.00 C ATOM 703 CE1 TYR B 26 -25.869 27.513 -7.200 1.00 0.00 C ATOM 704 CE2 TYR B 26 -26.305 25.703 -5.613 1.00 0.00 C ATOM 705 CZ TYR B 26 -26.516 26.304 -6.870 1.00 0.00 C ATOM 706 OH TYR B 26 -27.355 25.722 -7.759 1.00 0.00 O ATOM 0 H TYR B 26 -21.407 26.683 -2.983 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.211 26.942 -4.995 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -23.968 27.709 -3.054 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -23.959 29.191 -3.989 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -24.497 29.042 -6.525 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -25.278 25.858 -3.720 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -26.045 27.976 -8.160 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -26.809 24.782 -5.360 1.00 0.00 H new ATOM 0 HH TYR B 26 -27.716 24.896 -7.375 1.00 0.00 H new ATOM 716 N THR B 27 -20.767 28.463 -6.283 1.00 0.00 N ATOM 717 CA THR B 27 -20.090 29.327 -7.281 1.00 0.00 C ATOM 718 C THR B 27 -20.925 29.592 -8.557 1.00 0.00 C ATOM 719 O THR B 27 -21.780 28.769 -8.922 1.00 0.00 O ATOM 720 CB THR B 27 -18.707 28.752 -7.655 1.00 0.00 C ATOM 721 OG1 THR B 27 -18.835 27.531 -8.348 1.00 0.00 O ATOM 722 CG2 THR B 27 -17.830 28.501 -6.427 1.00 0.00 C ATOM 0 H THR B 27 -20.405 27.509 -6.268 1.00 0.00 H new ATOM 0 HA THR B 27 -19.967 30.295 -6.795 1.00 0.00 H new ATOM 0 HB THR B 27 -18.235 29.504 -8.287 1.00 0.00 H new ATOM 0 HG1 THR B 27 -17.945 27.189 -8.575 1.00 0.00 H new ATOM 0 HG21 THR B 27 -16.868 28.097 -6.743 1.00 0.00 H new ATOM 0 HG22 THR B 27 -17.672 29.439 -5.895 1.00 0.00 H new ATOM 0 HG23 THR B 27 -18.324 27.788 -5.767 1.00 0.00 H new ATOM 730 N PRO B 28 -20.664 30.683 -9.314 1.00 0.00 N ATOM 731 CA PRO B 28 -19.696 31.761 -9.064 1.00 0.00 C ATOM 732 C PRO B 28 -20.219 32.884 -8.153 1.00 0.00 C ATOM 733 O PRO B 28 -21.418 33.124 -8.060 1.00 0.00 O ATOM 734 CB PRO B 28 -19.387 32.329 -10.450 1.00 0.00 C ATOM 735 CG PRO B 28 -20.739 32.228 -11.152 1.00 0.00 C ATOM 736 CD PRO B 28 -21.324 30.929 -10.593 1.00 0.00 C ATOM 0 HA PRO B 28 -18.830 31.360 -8.538 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -19.032 33.358 -10.398 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -18.618 31.752 -10.964 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -21.374 33.085 -10.929 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -20.629 32.187 -12.236 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -22.402 31.017 -10.461 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -21.154 30.101 -11.281 1.00 0.00 H new ATOM 744 N LYS B 29 -19.280 33.608 -7.541 1.00 0.00 N ATOM 745 CA LYS B 29 -19.445 34.924 -6.902 1.00 0.00 C ATOM 746 C LYS B 29 -18.212 35.758 -7.319 1.00 0.00 C ATOM 747 O LYS B 29 -17.523 35.374 -8.267 1.00 0.00 O ATOM 748 CB LYS B 29 -19.536 34.810 -5.357 1.00 0.00 C ATOM 749 CG LYS B 29 -20.703 34.040 -4.717 1.00 0.00 C ATOM 750 CD LYS B 29 -20.603 32.507 -4.734 1.00 0.00 C ATOM 751 CE LYS B 29 -19.252 31.925 -4.287 1.00 0.00 C ATOM 752 NZ LYS B 29 -19.092 31.988 -2.819 1.00 0.00 N ATOM 0 H LYS B 29 -18.319 33.272 -7.472 1.00 0.00 H new ATOM 0 HA LYS B 29 -20.376 35.392 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.612 34.348 -5.010 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -19.556 35.824 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -20.798 34.364 -3.681 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -21.622 34.328 -5.227 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -21.384 32.103 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -20.812 32.158 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.174 30.889 -4.618 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -18.442 32.475 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -18.138 31.666 -2.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -19.226 32.968 -2.497 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.799 31.375 -2.366 1.00 0.00 H new ATOM 766 N ALA B 30 -17.900 36.831 -6.593 1.00 0.00 N ATOM 767 CA ALA B 30 -16.534 36.958 -6.081 1.00 0.00 C ATOM 768 C ALA B 30 -16.406 35.987 -4.888 1.00 0.00 C ATOM 769 O ALA B 30 -15.788 34.919 -5.076 1.00 0.00 O ATOM 770 CB ALA B 30 -16.260 38.430 -5.734 1.00 0.00 C ATOM 771 OXT ALA B 30 -17.107 36.222 -3.878 1.00 0.00 O ATOM 0 H ALA B 30 -18.537 37.591 -6.354 1.00 0.00 H new ATOM 0 HA ALA B 30 -15.775 36.685 -6.814 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -15.244 38.531 -5.352 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -16.374 39.042 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -16.968 38.763 -4.975 1.00 0.00 H new TER 777 ALA B 30