USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 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 49 GLN : amide:sc= -0.101 K(o=-0.42,f=-2.8) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.322 X(o=-0.42,f=-0.51) USER MOD Set 2.1: A 35 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -7.73! C(o=-7.7!,f=-10!) USER MOD Single : A 5 LYS NZ :NH3+ -128:sc= -0.157 (180deg=-0.425) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 0:sc= -2.02 USER MOD Single : A 8 THR OG1 : rot 48:sc= 0.347 USER MOD Single : A 13 GLN : amide:sc= -0.267 K(o=-0.27,f=-2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 29:sc= 1.25 USER MOD Single : A 26 HIS : no HE2:sc= -7.74 K(o=-7.7,f=-12!) USER MOD Single : A 27 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.25) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc=-0.00428 USER MOD Single : A 33 THR OG1 : rot 121:sc= 1.62 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 48:sc= 0.566 USER MOD Single : A 63 HIS : no HE2:sc= -3.16! C(o=-3.2!,f=-9.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -71:sc= 0.594 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0984 X(o=-0.098,f=-0.008) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 5 2.749 3.345 -8.424 1.00 0.00 N ATOM 18 CA LYS A 5 1.864 4.469 -8.673 1.00 0.00 C ATOM 19 C LYS A 5 2.033 4.935 -10.121 1.00 0.00 C ATOM 20 O LYS A 5 3.140 5.256 -10.549 1.00 0.00 O ATOM 21 CB LYS A 5 2.099 5.575 -7.641 1.00 0.00 C ATOM 22 CG LYS A 5 1.572 5.160 -6.265 1.00 0.00 C ATOM 23 CD LYS A 5 0.082 4.821 -6.328 1.00 0.00 C ATOM 24 CE LYS A 5 -0.673 5.822 -7.204 1.00 0.00 C ATOM 25 NZ LYS A 5 -0.517 7.195 -6.674 1.00 0.00 N ATOM 0 HA LYS A 5 0.823 4.168 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.164 5.796 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.603 6.490 -7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.130 4.296 -5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.735 5.967 -5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.049 3.814 -6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.338 4.824 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.297 5.776 -8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.730 5.558 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.454 7.633 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.042 7.158 -5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.054 7.759 -7.335 1.00 0.00 H new ATOM 39 N TYR A 6 0.917 4.956 -10.835 1.00 0.00 N ATOM 40 CA TYR A 6 0.927 5.376 -12.226 1.00 0.00 C ATOM 41 C TYR A 6 0.432 6.817 -12.367 1.00 0.00 C ATOM 42 O TYR A 6 -0.763 7.081 -12.246 1.00 0.00 O ATOM 43 CB TYR A 6 -0.041 4.444 -12.955 1.00 0.00 C ATOM 44 CG TYR A 6 0.381 2.973 -12.939 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.666 2.619 -13.297 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.524 1.999 -12.567 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.064 1.236 -13.282 1.00 0.00 C ATOM 48 CE2 TYR A 6 -0.126 0.615 -12.552 1.00 0.00 C ATOM 49 CZ TYR A 6 1.148 0.302 -12.910 1.00 0.00 C ATOM 50 OH TYR A 6 1.523 -1.006 -12.895 1.00 0.00 O ATOM 0 H TYR A 6 0.000 4.689 -10.476 1.00 0.00 H new ATOM 0 HA TYR A 6 1.937 5.331 -12.633 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.027 4.533 -12.500 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.136 4.773 -13.990 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.374 3.381 -13.589 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.530 2.275 -12.287 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.067 0.947 -13.560 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.824 -0.157 -12.263 1.00 0.00 H new ATOM 0 HH TYR A 6 0.767 -1.560 -12.608 1.00 0.00 H new ATOM 60 N TYR A 7 1.376 7.711 -12.621 1.00 0.00 N ATOM 61 CA TYR A 7 1.050 9.118 -12.780 1.00 0.00 C ATOM 62 C TYR A 7 0.874 9.477 -14.257 1.00 0.00 C ATOM 63 O TYR A 7 1.525 8.895 -15.124 1.00 0.00 O ATOM 64 CB TYR A 7 2.244 9.893 -12.218 1.00 0.00 C ATOM 65 CG TYR A 7 2.815 9.307 -10.927 1.00 0.00 C ATOM 66 CD1 TYR A 7 2.009 9.176 -9.814 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.135 8.907 -10.874 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.547 8.624 -8.597 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.672 8.356 -9.656 1.00 0.00 C ATOM 70 CZ TYR A 7 3.852 8.241 -8.578 1.00 0.00 C ATOM 71 OH TYR A 7 4.358 7.720 -7.429 1.00 0.00 O ATOM 0 H TYR A 7 2.366 7.489 -12.721 1.00 0.00 H new ATOM 0 HA TYR A 7 0.118 9.356 -12.268 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.032 9.922 -12.971 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.941 10.924 -12.034 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.976 9.487 -9.856 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.765 9.007 -11.745 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.928 8.517 -7.719 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.704 8.041 -9.601 1.00 0.00 H new ATOM 0 HH TYR A 7 3.658 7.699 -6.743 1.00 0.00 H new ATOM 81 N THR A 8 -0.011 10.433 -14.499 1.00 0.00 N ATOM 82 CA THR A 8 -0.282 10.876 -15.856 1.00 0.00 C ATOM 83 C THR A 8 0.832 11.805 -16.345 1.00 0.00 C ATOM 84 O THR A 8 1.425 12.538 -15.556 1.00 0.00 O ATOM 85 CB THR A 8 -1.667 11.526 -15.873 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.760 12.180 -14.611 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.797 10.496 -15.845 1.00 0.00 C ATOM 0 H THR A 8 -0.550 10.913 -13.778 1.00 0.00 H new ATOM 0 HA THR A 8 -0.292 10.037 -16.552 1.00 0.00 H new ATOM 0 HB THR A 8 -1.765 12.148 -16.763 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.943 12.696 -14.449 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.758 11.010 -15.858 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.720 9.848 -16.718 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.719 9.895 -14.939 1.00 0.00 H new ATOM 95 N LEU A 9 1.080 11.744 -17.646 1.00 0.00 N ATOM 96 CA LEU A 9 2.110 12.570 -18.250 1.00 0.00 C ATOM 97 C LEU A 9 1.883 14.032 -17.856 1.00 0.00 C ATOM 98 O LEU A 9 2.799 14.848 -17.934 1.00 0.00 O ATOM 99 CB LEU A 9 2.162 12.342 -19.763 1.00 0.00 C ATOM 100 CG LEU A 9 1.359 13.327 -20.617 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.712 13.180 -22.099 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.141 13.173 -20.367 1.00 0.00 C ATOM 0 H LEU A 9 0.585 11.135 -18.297 1.00 0.00 H new ATOM 0 HA LEU A 9 3.093 12.287 -17.874 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.204 12.381 -20.081 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.803 11.334 -19.971 1.00 0.00 H new ATOM 0 HG LEU A 9 1.632 14.339 -20.319 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.128 13.891 -22.684 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.774 13.379 -22.241 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.485 12.166 -22.428 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.688 13.884 -20.986 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.450 12.159 -20.620 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.356 13.366 -19.316 1.00 0.00 H new ATOM 114 N GLU A 10 0.658 14.316 -17.441 1.00 0.00 N ATOM 115 CA GLU A 10 0.299 15.663 -17.035 1.00 0.00 C ATOM 116 C GLU A 10 1.091 16.071 -15.791 1.00 0.00 C ATOM 117 O GLU A 10 1.453 17.236 -15.635 1.00 0.00 O ATOM 118 CB GLU A 10 -1.207 15.780 -16.789 1.00 0.00 C ATOM 119 CG GLU A 10 -1.895 16.513 -17.942 1.00 0.00 C ATOM 120 CD GLU A 10 -2.386 15.527 -19.003 1.00 0.00 C ATOM 121 OE1 GLU A 10 -3.070 14.559 -18.607 1.00 0.00 O ATOM 122 OE2 GLU A 10 -2.065 15.762 -20.189 1.00 0.00 O ATOM 0 H GLU A 10 -0.099 13.635 -17.377 1.00 0.00 H new ATOM 0 HA GLU A 10 0.555 16.346 -17.845 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.639 14.786 -16.676 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.386 16.313 -15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.737 17.090 -17.560 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.201 17.222 -18.393 1.00 0.00 H new ATOM 129 N GLU A 11 1.336 15.089 -14.936 1.00 0.00 N ATOM 130 CA GLU A 11 2.078 15.331 -13.710 1.00 0.00 C ATOM 131 C GLU A 11 3.474 15.866 -14.033 1.00 0.00 C ATOM 132 O GLU A 11 3.755 17.045 -13.821 1.00 0.00 O ATOM 133 CB GLU A 11 2.160 14.061 -12.860 1.00 0.00 C ATOM 134 CG GLU A 11 1.402 14.235 -11.543 1.00 0.00 C ATOM 135 CD GLU A 11 0.070 13.482 -11.574 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.659 13.660 -12.573 1.00 0.00 O ATOM 137 OE2 GLU A 11 -0.188 12.746 -10.597 1.00 0.00 O ATOM 0 H GLU A 11 1.034 14.124 -15.068 1.00 0.00 H new ATOM 0 HA GLU A 11 1.547 16.084 -13.128 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.744 13.220 -13.415 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.204 13.823 -12.655 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.012 13.869 -10.717 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.221 15.294 -11.360 1.00 0.00 H new ATOM 144 N ILE A 12 4.313 14.974 -14.540 1.00 0.00 N ATOM 145 CA ILE A 12 5.674 15.343 -14.893 1.00 0.00 C ATOM 146 C ILE A 12 5.680 16.759 -15.472 1.00 0.00 C ATOM 147 O ILE A 12 6.564 17.556 -15.163 1.00 0.00 O ATOM 148 CB ILE A 12 6.288 14.296 -15.823 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.200 13.489 -16.534 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.266 13.396 -15.066 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.931 12.170 -15.806 1.00 0.00 C ATOM 0 H ILE A 12 4.077 13.997 -14.715 1.00 0.00 H new ATOM 0 HA ILE A 12 6.307 15.358 -14.006 1.00 0.00 H new ATOM 0 HB ILE A 12 6.859 14.816 -16.593 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.282 14.075 -16.584 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.505 13.286 -17.561 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.688 12.660 -15.751 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.068 14.003 -14.646 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.740 12.882 -14.261 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.154 11.616 -16.332 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.845 11.576 -15.779 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.603 12.377 -14.787 1.00 0.00 H new ATOM 163 N GLN A 13 4.684 17.029 -16.302 1.00 0.00 N ATOM 164 CA GLN A 13 4.563 18.335 -16.928 1.00 0.00 C ATOM 165 C GLN A 13 4.425 19.423 -15.861 1.00 0.00 C ATOM 166 O GLN A 13 5.378 20.148 -15.581 1.00 0.00 O ATOM 167 CB GLN A 13 3.385 18.369 -17.903 1.00 0.00 C ATOM 168 CG GLN A 13 3.734 17.655 -19.210 1.00 0.00 C ATOM 169 CD GLN A 13 3.855 18.652 -20.364 1.00 0.00 C ATOM 170 OE1 GLN A 13 3.299 19.737 -20.342 1.00 0.00 O ATOM 171 NE2 GLN A 13 4.613 18.225 -21.370 1.00 0.00 N ATOM 0 H GLN A 13 3.952 16.365 -16.556 1.00 0.00 H new ATOM 0 HA GLN A 13 5.470 18.528 -17.501 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.516 17.895 -17.446 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.111 19.403 -18.111 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.672 17.113 -19.093 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.966 16.917 -19.441 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.050 17.304 -21.324 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.757 18.818 -22.187 1.00 0.00 H new ATOM 180 N LYS A 14 3.228 19.504 -15.295 1.00 0.00 N ATOM 181 CA LYS A 14 2.953 20.491 -14.266 1.00 0.00 C ATOM 182 C LYS A 14 4.031 20.407 -13.182 1.00 0.00 C ATOM 183 O LYS A 14 4.240 21.361 -12.436 1.00 0.00 O ATOM 184 CB LYS A 14 1.529 20.325 -13.732 1.00 0.00 C ATOM 185 CG LYS A 14 1.245 18.864 -13.376 1.00 0.00 C ATOM 186 CD LYS A 14 1.129 18.681 -11.862 1.00 0.00 C ATOM 187 CE LYS A 14 -0.011 17.723 -11.509 1.00 0.00 C ATOM 188 NZ LYS A 14 -1.164 18.470 -10.958 1.00 0.00 N ATOM 0 H LYS A 14 2.439 18.902 -15.530 1.00 0.00 H new ATOM 0 HA LYS A 14 2.998 21.498 -14.682 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.392 20.951 -12.851 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.814 20.667 -14.480 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.321 18.542 -13.857 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.043 18.230 -13.762 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.068 18.295 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.956 19.647 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.319 17.171 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.335 16.989 -10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.929 17.805 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.871 18.977 -10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.504 19.154 -11.664 1.00 0.00 H new ATOM 202 N HIS A 15 4.683 19.256 -13.131 1.00 0.00 N ATOM 203 CA HIS A 15 5.734 19.035 -12.152 1.00 0.00 C ATOM 204 C HIS A 15 7.098 19.287 -12.796 1.00 0.00 C ATOM 205 O HIS A 15 8.031 18.507 -12.611 1.00 0.00 O ATOM 206 CB HIS A 15 5.618 17.638 -11.537 1.00 0.00 C ATOM 207 CG HIS A 15 4.336 17.406 -10.775 1.00 0.00 C ATOM 208 ND1 HIS A 15 3.884 18.266 -9.789 1.00 0.00 N ATOM 209 CD2 HIS A 15 3.413 16.407 -10.865 1.00 0.00 C ATOM 210 CE1 HIS A 15 2.741 17.794 -9.313 1.00 0.00 C ATOM 211 NE2 HIS A 15 2.451 16.640 -9.981 1.00 0.00 N ATOM 0 H HIS A 15 4.504 18.466 -13.751 1.00 0.00 H new ATOM 0 HA HIS A 15 5.624 19.742 -11.330 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.696 16.895 -12.331 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.462 17.477 -10.866 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.352 19.119 -9.481 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.457 15.567 -11.542 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.144 18.244 -8.533 1.00 0.00 H new ATOM 219 N LYS A 16 7.172 20.381 -13.540 1.00 0.00 N ATOM 220 CA LYS A 16 8.407 20.747 -14.214 1.00 0.00 C ATOM 221 C LYS A 16 8.997 21.990 -13.546 1.00 0.00 C ATOM 222 O LYS A 16 9.594 22.833 -14.213 1.00 0.00 O ATOM 223 CB LYS A 16 8.170 20.909 -15.716 1.00 0.00 C ATOM 224 CG LYS A 16 9.495 21.056 -16.467 1.00 0.00 C ATOM 225 CD LYS A 16 9.373 22.080 -17.598 1.00 0.00 C ATOM 226 CE LYS A 16 10.534 21.945 -18.587 1.00 0.00 C ATOM 227 NZ LYS A 16 10.293 22.780 -19.786 1.00 0.00 N ATOM 0 H LYS A 16 6.397 21.026 -13.691 1.00 0.00 H new ATOM 0 HA LYS A 16 9.145 19.951 -14.116 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.626 20.045 -16.097 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.546 21.784 -15.897 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.278 21.365 -15.774 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.795 20.091 -16.876 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.427 21.939 -18.121 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.360 23.087 -17.182 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.465 22.247 -18.107 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.650 20.902 -18.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.090 22.677 -20.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.415 22.473 -20.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.205 23.777 -19.503 1.00 0.00 H new ATOM 241 N ASP A 17 8.811 22.064 -12.236 1.00 0.00 N ATOM 242 CA ASP A 17 9.318 23.191 -11.471 1.00 0.00 C ATOM 243 C ASP A 17 10.102 22.670 -10.265 1.00 0.00 C ATOM 244 O ASP A 17 10.049 21.483 -9.951 1.00 0.00 O ATOM 245 CB ASP A 17 8.173 24.063 -10.951 1.00 0.00 C ATOM 246 CG ASP A 17 8.055 25.438 -11.611 1.00 0.00 C ATOM 247 OD1 ASP A 17 7.564 25.474 -12.760 1.00 0.00 O ATOM 248 OD2 ASP A 17 8.460 26.420 -10.954 1.00 0.00 O ATOM 0 H ASP A 17 8.317 21.362 -11.685 1.00 0.00 H new ATOM 0 HA ASP A 17 9.955 23.786 -12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.235 23.527 -11.093 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.301 24.202 -9.877 1.00 0.00 H new ATOM 253 N SER A 18 10.813 23.586 -9.622 1.00 0.00 N ATOM 254 CA SER A 18 11.607 23.234 -8.457 1.00 0.00 C ATOM 255 C SER A 18 10.723 22.567 -7.402 1.00 0.00 C ATOM 256 O SER A 18 11.093 21.541 -6.835 1.00 0.00 O ATOM 257 CB SER A 18 12.298 24.466 -7.869 1.00 0.00 C ATOM 258 OG SER A 18 13.709 24.297 -7.782 1.00 0.00 O ATOM 0 H SER A 18 10.855 24.570 -9.886 1.00 0.00 H new ATOM 0 HA SER A 18 12.380 22.532 -8.770 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.075 25.336 -8.487 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.895 24.668 -6.876 1.00 0.00 H new ATOM 0 HG SER A 18 14.113 25.106 -7.403 1.00 0.00 H new ATOM 264 N LYS A 19 9.569 23.178 -7.172 1.00 0.00 N ATOM 265 CA LYS A 19 8.628 22.655 -6.195 1.00 0.00 C ATOM 266 C LYS A 19 8.494 21.142 -6.379 1.00 0.00 C ATOM 267 O LYS A 19 8.639 20.381 -5.424 1.00 0.00 O ATOM 268 CB LYS A 19 7.297 23.405 -6.278 1.00 0.00 C ATOM 269 CG LYS A 19 6.842 23.871 -4.894 1.00 0.00 C ATOM 270 CD LYS A 19 6.922 25.394 -4.775 1.00 0.00 C ATOM 271 CE LYS A 19 8.352 25.847 -4.478 1.00 0.00 C ATOM 272 NZ LYS A 19 8.549 26.022 -3.022 1.00 0.00 N ATOM 0 H LYS A 19 9.265 24.029 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 19 8.999 22.821 -5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.401 24.265 -6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.537 22.757 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.819 23.542 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.465 23.409 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.576 25.853 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.257 25.736 -3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.060 25.111 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.557 26.785 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.525 26.330 -2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.887 26.740 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.374 25.119 -2.537 1.00 0.00 H new ATOM 286 N SER A 20 8.220 20.751 -7.615 1.00 0.00 N ATOM 287 CA SER A 20 8.065 19.343 -7.937 1.00 0.00 C ATOM 288 C SER A 20 8.781 19.025 -9.252 1.00 0.00 C ATOM 289 O SER A 20 8.223 19.223 -10.330 1.00 0.00 O ATOM 290 CB SER A 20 6.587 18.959 -8.032 1.00 0.00 C ATOM 291 OG SER A 20 6.082 18.470 -6.793 1.00 0.00 O ATOM 0 H SER A 20 8.101 21.385 -8.405 1.00 0.00 H new ATOM 0 HA SER A 20 8.514 18.757 -7.135 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.006 19.827 -8.343 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.459 18.198 -8.801 1.00 0.00 H new ATOM 0 HG SER A 20 5.135 18.237 -6.895 1.00 0.00 H new ATOM 297 N THR A 21 10.006 18.539 -9.118 1.00 0.00 N ATOM 298 CA THR A 21 10.804 18.193 -10.282 1.00 0.00 C ATOM 299 C THR A 21 10.774 16.681 -10.518 1.00 0.00 C ATOM 300 O THR A 21 11.307 15.913 -9.718 1.00 0.00 O ATOM 301 CB THR A 21 12.215 18.746 -10.070 1.00 0.00 C ATOM 302 OG1 THR A 21 12.117 20.109 -10.475 1.00 0.00 O ATOM 303 CG2 THR A 21 13.234 18.142 -11.039 1.00 0.00 C ATOM 0 H THR A 21 10.465 18.377 -8.222 1.00 0.00 H new ATOM 0 HA THR A 21 10.396 18.641 -11.188 1.00 0.00 H new ATOM 0 HB THR A 21 12.531 18.552 -9.045 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.205 20.432 -10.319 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.218 18.569 -10.845 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.273 17.062 -10.899 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.938 18.365 -12.064 1.00 0.00 H new ATOM 311 N TRP A 22 10.145 16.299 -11.620 1.00 0.00 N ATOM 312 CA TRP A 22 10.039 14.893 -11.971 1.00 0.00 C ATOM 313 C TRP A 22 10.766 14.681 -13.301 1.00 0.00 C ATOM 314 O TRP A 22 11.000 15.635 -14.043 1.00 0.00 O ATOM 315 CB TRP A 22 8.576 14.447 -12.012 1.00 0.00 C ATOM 316 CG TRP A 22 8.021 14.008 -10.656 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.506 14.285 -9.437 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.849 13.197 -10.427 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.735 13.714 -8.444 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.696 13.032 -9.066 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.949 12.622 -11.342 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.652 12.292 -8.497 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.911 11.886 -10.756 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.742 11.711 -9.388 1.00 0.00 C ATOM 0 H TRP A 22 9.704 16.938 -12.281 1.00 0.00 H new ATOM 0 HA TRP A 22 10.512 14.270 -11.212 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.968 15.267 -12.394 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.478 13.622 -12.717 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.389 14.880 -9.255 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.898 13.780 -7.439 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.050 12.739 -12.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.554 12.176 -7.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.191 11.422 -11.414 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.912 11.129 -9.014 1.00 0.00 H new ATOM 335 N VAL A 23 11.101 13.427 -13.562 1.00 0.00 N ATOM 336 CA VAL A 23 11.795 13.078 -14.790 1.00 0.00 C ATOM 337 C VAL A 23 11.576 11.595 -15.091 1.00 0.00 C ATOM 338 O VAL A 23 11.880 10.737 -14.264 1.00 0.00 O ATOM 339 CB VAL A 23 13.276 13.453 -14.678 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.935 12.735 -13.499 1.00 0.00 C ATOM 341 CG2 VAL A 23 14.016 13.157 -15.984 1.00 0.00 C ATOM 0 H VAL A 23 10.905 12.639 -12.944 1.00 0.00 H new ATOM 0 HA VAL A 23 11.392 13.643 -15.630 1.00 0.00 H new ATOM 0 HB VAL A 23 13.338 14.526 -14.494 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.986 13.018 -13.442 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.432 13.017 -12.574 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.857 11.657 -13.640 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.065 13.432 -15.878 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.941 12.094 -16.212 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.570 13.734 -16.794 1.00 0.00 H new ATOM 351 N ILE A 24 11.049 11.337 -16.279 1.00 0.00 N ATOM 352 CA ILE A 24 10.784 9.971 -16.701 1.00 0.00 C ATOM 353 C ILE A 24 12.112 9.256 -16.957 1.00 0.00 C ATOM 354 O ILE A 24 12.839 9.602 -17.887 1.00 0.00 O ATOM 355 CB ILE A 24 9.835 9.955 -17.901 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.466 10.524 -17.524 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.729 8.550 -18.497 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.877 11.344 -18.674 1.00 0.00 C ATOM 0 H ILE A 24 10.798 12.051 -16.963 1.00 0.00 H new ATOM 0 HA ILE A 24 10.271 9.421 -15.912 1.00 0.00 H new ATOM 0 HB ILE A 24 10.250 10.601 -18.674 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.788 9.710 -17.269 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.560 11.150 -16.637 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.048 8.566 -19.348 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.714 8.219 -18.826 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.349 7.862 -17.742 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.904 11.737 -18.380 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.546 12.171 -18.911 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.761 10.709 -19.552 1.00 0.00 H new ATOM 370 N LEU A 25 12.388 8.270 -16.116 1.00 0.00 N ATOM 371 CA LEU A 25 13.615 7.502 -16.240 1.00 0.00 C ATOM 372 C LEU A 25 13.271 6.019 -16.392 1.00 0.00 C ATOM 373 O LEU A 25 12.713 5.412 -15.480 1.00 0.00 O ATOM 374 CB LEU A 25 14.554 7.799 -15.068 1.00 0.00 C ATOM 375 CG LEU A 25 15.767 8.677 -15.386 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.372 9.857 -16.275 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.463 9.133 -14.103 1.00 0.00 C ATOM 0 H LEU A 25 11.783 7.985 -15.346 1.00 0.00 H new ATOM 0 HA LEU A 25 14.159 7.796 -17.137 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.977 8.282 -14.280 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.912 6.851 -14.666 1.00 0.00 H new ATOM 0 HG LEU A 25 16.485 8.079 -15.947 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.252 10.464 -16.486 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.956 9.484 -17.211 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.626 10.465 -15.763 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.321 9.755 -14.356 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.765 9.708 -13.495 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.800 8.261 -13.542 1.00 0.00 H new ATOM 389 N HIS A 26 13.618 5.479 -17.551 1.00 0.00 N ATOM 390 CA HIS A 26 13.353 4.080 -17.834 1.00 0.00 C ATOM 391 C HIS A 26 11.961 3.707 -17.320 1.00 0.00 C ATOM 392 O HIS A 26 11.819 2.795 -16.507 1.00 0.00 O ATOM 393 CB HIS A 26 14.456 3.190 -17.257 1.00 0.00 C ATOM 394 CG HIS A 26 15.795 3.876 -17.132 1.00 0.00 C ATOM 395 ND1 HIS A 26 16.053 4.848 -16.180 1.00 0.00 N ATOM 396 CD2 HIS A 26 16.947 3.720 -17.844 1.00 0.00 C ATOM 397 CE1 HIS A 26 17.306 5.252 -16.325 1.00 0.00 C ATOM 398 NE2 HIS A 26 17.858 4.553 -17.357 1.00 0.00 N ATOM 0 H HIS A 26 14.081 5.986 -18.305 1.00 0.00 H new ATOM 0 HA HIS A 26 13.361 3.916 -18.912 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.147 2.837 -16.273 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.568 2.310 -17.891 1.00 0.00 H new ATOM 0 HD1 HIS A 26 15.391 5.194 -15.485 1.00 0.00 H new ATOM 0 HD2 HIS A 26 17.093 3.034 -18.666 1.00 0.00 H new ATOM 0 HE1 HIS A 26 17.803 6.004 -15.730 1.00 0.00 H new ATOM 406 N HIS A 27 10.969 4.432 -17.815 1.00 0.00 N ATOM 407 CA HIS A 27 9.593 4.189 -17.415 1.00 0.00 C ATOM 408 C HIS A 27 9.478 4.272 -15.892 1.00 0.00 C ATOM 409 O HIS A 27 8.969 3.353 -15.252 1.00 0.00 O ATOM 410 CB HIS A 27 9.092 2.856 -17.975 1.00 0.00 C ATOM 411 CG HIS A 27 9.744 2.453 -19.276 1.00 0.00 C ATOM 412 ND1 HIS A 27 9.775 3.277 -20.387 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.391 1.305 -19.630 1.00 0.00 C ATOM 414 CE1 HIS A 27 10.412 2.643 -21.361 1.00 0.00 C ATOM 415 NE2 HIS A 27 10.792 1.421 -20.889 1.00 0.00 N ATOM 0 H HIS A 27 11.090 5.188 -18.489 1.00 0.00 H new ATOM 0 HA HIS A 27 8.947 4.960 -17.836 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.266 2.074 -17.236 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.014 2.919 -18.125 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.550 0.447 -18.993 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.598 3.026 -22.353 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.301 0.713 -21.418 1.00 0.00 H new ATOM 423 N LYS A 28 9.960 5.383 -15.354 1.00 0.00 N ATOM 424 CA LYS A 28 9.918 5.599 -13.918 1.00 0.00 C ATOM 425 C LYS A 28 10.309 7.046 -13.612 1.00 0.00 C ATOM 426 O LYS A 28 11.456 7.440 -13.817 1.00 0.00 O ATOM 427 CB LYS A 28 10.782 4.562 -13.196 1.00 0.00 C ATOM 428 CG LYS A 28 9.974 3.824 -12.127 1.00 0.00 C ATOM 429 CD LYS A 28 10.461 2.382 -11.970 1.00 0.00 C ATOM 430 CE LYS A 28 11.166 2.184 -10.627 1.00 0.00 C ATOM 431 NZ LYS A 28 10.278 1.485 -9.673 1.00 0.00 N ATOM 0 H LYS A 28 10.382 6.143 -15.887 1.00 0.00 H new ATOM 0 HA LYS A 28 8.906 5.456 -13.540 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.177 3.846 -13.917 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.638 5.054 -12.735 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.061 4.347 -11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.918 3.828 -12.397 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.615 1.699 -12.045 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.144 2.134 -12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.080 1.608 -10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.460 3.151 -10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.773 1.359 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.418 2.049 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.019 0.554 -10.058 1.00 0.00 H new ATOM 445 N VAL A 29 9.333 7.799 -13.125 1.00 0.00 N ATOM 446 CA VAL A 29 9.561 9.194 -12.789 1.00 0.00 C ATOM 447 C VAL A 29 10.432 9.275 -11.535 1.00 0.00 C ATOM 448 O VAL A 29 10.251 8.500 -10.597 1.00 0.00 O ATOM 449 CB VAL A 29 8.223 9.919 -12.636 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.323 9.671 -13.849 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.521 9.510 -11.340 1.00 0.00 C ATOM 0 H VAL A 29 8.383 7.469 -12.955 1.00 0.00 H new ATOM 0 HA VAL A 29 10.099 9.699 -13.591 1.00 0.00 H new ATOM 0 HB VAL A 29 8.427 10.988 -12.582 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.378 10.198 -13.715 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.817 10.036 -14.749 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.132 8.602 -13.948 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.572 10.041 -11.257 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.336 8.436 -11.350 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.153 9.762 -10.489 1.00 0.00 H new ATOM 461 N TYR A 30 11.359 10.222 -11.557 1.00 0.00 N ATOM 462 CA TYR A 30 12.259 10.416 -10.433 1.00 0.00 C ATOM 463 C TYR A 30 12.048 11.789 -9.792 1.00 0.00 C ATOM 464 O TYR A 30 12.384 12.813 -10.386 1.00 0.00 O ATOM 465 CB TYR A 30 13.674 10.346 -11.009 1.00 0.00 C ATOM 466 CG TYR A 30 14.244 8.929 -11.090 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.426 7.841 -10.859 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.577 8.738 -11.394 1.00 0.00 C ATOM 469 CE1 TYR A 30 13.963 6.508 -10.934 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.114 7.403 -11.469 1.00 0.00 C ATOM 471 CZ TYR A 30 15.280 6.355 -11.236 1.00 0.00 C ATOM 472 OH TYR A 30 15.787 5.094 -11.307 1.00 0.00 O ATOM 0 H TYR A 30 11.506 10.864 -12.336 1.00 0.00 H new ATOM 0 HA TYR A 30 12.083 9.662 -9.666 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.671 10.783 -12.008 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.335 10.958 -10.396 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.383 7.990 -10.622 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.217 9.589 -11.576 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.334 5.648 -10.754 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.155 7.239 -11.705 1.00 0.00 H new ATOM 0 HH TYR A 30 16.740 5.137 -11.532 1.00 0.00 H new ATOM 482 N ASP A 31 11.493 11.767 -8.590 1.00 0.00 N ATOM 483 CA ASP A 31 11.234 12.999 -7.862 1.00 0.00 C ATOM 484 C ASP A 31 12.529 13.478 -7.204 1.00 0.00 C ATOM 485 O ASP A 31 12.707 13.332 -5.996 1.00 0.00 O ATOM 486 CB ASP A 31 10.196 12.778 -6.759 1.00 0.00 C ATOM 487 CG ASP A 31 9.906 14.004 -5.892 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.673 14.983 -6.017 1.00 0.00 O ATOM 489 OD2 ASP A 31 8.923 13.935 -5.123 1.00 0.00 O ATOM 0 H ASP A 31 11.215 10.916 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 31 10.857 13.737 -8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.264 12.447 -7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.539 11.968 -6.115 1.00 0.00 H new ATOM 494 N LEU A 32 13.399 14.043 -8.029 1.00 0.00 N ATOM 495 CA LEU A 32 14.673 14.546 -7.542 1.00 0.00 C ATOM 496 C LEU A 32 14.519 16.017 -7.149 1.00 0.00 C ATOM 497 O LEU A 32 15.423 16.821 -7.372 1.00 0.00 O ATOM 498 CB LEU A 32 15.776 14.297 -8.572 1.00 0.00 C ATOM 499 CG LEU A 32 15.616 15.015 -9.913 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.783 15.971 -10.167 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.438 14.012 -11.055 1.00 0.00 C ATOM 0 H LEU A 32 13.247 14.164 -9.030 1.00 0.00 H new ATOM 0 HA LEU A 32 14.978 14.006 -6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.729 14.595 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.834 13.225 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 32 14.709 15.618 -9.870 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.644 16.468 -11.127 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.821 16.718 -9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.717 15.409 -10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.326 14.549 -11.997 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.312 13.363 -11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.549 13.409 -10.874 1.00 0.00 H new ATOM 513 N THR A 33 13.366 16.324 -6.571 1.00 0.00 N ATOM 514 CA THR A 33 13.083 17.684 -6.145 1.00 0.00 C ATOM 515 C THR A 33 14.149 18.168 -5.161 1.00 0.00 C ATOM 516 O THR A 33 14.741 19.229 -5.355 1.00 0.00 O ATOM 517 CB THR A 33 11.666 17.712 -5.568 1.00 0.00 C ATOM 518 OG1 THR A 33 10.841 17.287 -6.650 1.00 0.00 O ATOM 519 CG2 THR A 33 11.183 19.133 -5.269 1.00 0.00 C ATOM 0 H THR A 33 12.618 15.655 -6.388 1.00 0.00 H new ATOM 0 HA THR A 33 13.122 18.378 -6.985 1.00 0.00 H new ATOM 0 HB THR A 33 11.635 17.118 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.349 16.480 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.173 19.096 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.850 19.599 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.182 19.718 -6.189 1.00 0.00 H new ATOM 527 N LYS A 34 14.361 17.368 -4.127 1.00 0.00 N ATOM 528 CA LYS A 34 15.346 17.702 -3.113 1.00 0.00 C ATOM 529 C LYS A 34 16.749 17.589 -3.713 1.00 0.00 C ATOM 530 O LYS A 34 17.637 18.372 -3.378 1.00 0.00 O ATOM 531 CB LYS A 34 15.141 16.844 -1.863 1.00 0.00 C ATOM 532 CG LYS A 34 13.652 16.637 -1.578 1.00 0.00 C ATOM 533 CD LYS A 34 13.263 15.165 -1.733 1.00 0.00 C ATOM 534 CE LYS A 34 11.946 15.024 -2.499 1.00 0.00 C ATOM 535 NZ LYS A 34 10.889 14.481 -1.617 1.00 0.00 N ATOM 0 H LYS A 34 13.868 16.489 -3.969 1.00 0.00 H new ATOM 0 HA LYS A 34 15.221 18.734 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.627 15.878 -1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.616 17.323 -1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.421 16.973 -0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.059 17.247 -2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.053 14.630 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.167 14.705 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.639 15.995 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.086 14.366 -3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.002 14.392 -2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.177 13.546 -1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.744 15.124 -0.812 1.00 0.00 H new ATOM 549 N TYR A 35 16.905 16.608 -4.589 1.00 0.00 N ATOM 550 CA TYR A 35 18.185 16.382 -5.239 1.00 0.00 C ATOM 551 C TYR A 35 18.288 17.179 -6.540 1.00 0.00 C ATOM 552 O TYR A 35 19.149 16.906 -7.375 1.00 0.00 O ATOM 553 CB TYR A 35 18.235 14.888 -5.565 1.00 0.00 C ATOM 554 CG TYR A 35 19.566 14.424 -6.160 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.626 14.127 -5.329 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.706 14.305 -7.528 1.00 0.00 C ATOM 557 CE1 TYR A 35 21.880 13.690 -5.889 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.959 13.869 -8.088 1.00 0.00 C ATOM 559 CZ TYR A 35 21.984 13.583 -7.241 1.00 0.00 C ATOM 560 OH TYR A 35 23.167 13.171 -7.770 1.00 0.00 O ATOM 0 H TYR A 35 16.167 15.960 -4.864 1.00 0.00 H new ATOM 0 HA TYR A 35 19.004 16.696 -4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.039 14.321 -4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.434 14.653 -6.266 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.516 14.222 -4.259 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.876 14.539 -8.178 1.00 0.00 H new ATOM 0 HE1 TYR A 35 22.718 13.453 -5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.082 13.771 -9.157 1.00 0.00 H new ATOM 0 HH TYR A 35 23.034 12.911 -8.705 1.00 0.00 H new ATOM 570 N LEU A 36 17.396 18.150 -6.674 1.00 0.00 N ATOM 571 CA LEU A 36 17.374 18.989 -7.860 1.00 0.00 C ATOM 572 C LEU A 36 18.537 19.983 -7.797 1.00 0.00 C ATOM 573 O LEU A 36 19.273 20.144 -8.769 1.00 0.00 O ATOM 574 CB LEU A 36 16.006 19.654 -8.023 1.00 0.00 C ATOM 575 CG LEU A 36 15.885 20.674 -9.156 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.463 22.027 -8.738 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.530 20.147 -10.439 1.00 0.00 C ATOM 0 H LEU A 36 16.683 18.374 -5.980 1.00 0.00 H new ATOM 0 HA LEU A 36 17.517 18.385 -8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.262 18.874 -8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.752 20.150 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 36 14.827 20.827 -9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.365 22.735 -9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.920 22.402 -7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.517 21.910 -8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.430 20.891 -11.229 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.587 19.948 -10.260 1.00 0.00 H new ATOM 0 HD23 LEU A 36 16.034 19.226 -10.744 1.00 0.00 H new ATOM 589 N GLU A 37 18.665 20.623 -6.644 1.00 0.00 N ATOM 590 CA GLU A 37 19.724 21.596 -6.442 1.00 0.00 C ATOM 591 C GLU A 37 20.974 20.912 -5.884 1.00 0.00 C ATOM 592 O GLU A 37 22.026 21.537 -5.763 1.00 0.00 O ATOM 593 CB GLU A 37 19.261 22.727 -5.522 1.00 0.00 C ATOM 594 CG GLU A 37 18.985 22.207 -4.110 1.00 0.00 C ATOM 595 CD GLU A 37 19.193 23.309 -3.068 1.00 0.00 C ATOM 596 OE1 GLU A 37 18.304 24.184 -2.983 1.00 0.00 O ATOM 597 OE2 GLU A 37 20.236 23.252 -2.382 1.00 0.00 O ATOM 0 H GLU A 37 18.052 20.486 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 37 19.975 22.037 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.023 23.505 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 37 18.359 23.184 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.963 21.833 -4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.645 21.367 -3.893 1.00 0.00 H new ATOM 604 N GLU A 38 20.817 19.637 -5.560 1.00 0.00 N ATOM 605 CA GLU A 38 21.919 18.861 -5.018 1.00 0.00 C ATOM 606 C GLU A 38 22.738 18.240 -6.150 1.00 0.00 C ATOM 607 O GLU A 38 23.925 17.961 -5.983 1.00 0.00 O ATOM 608 CB GLU A 38 21.412 17.787 -4.054 1.00 0.00 C ATOM 609 CG GLU A 38 22.220 17.790 -2.755 1.00 0.00 C ATOM 610 CD GLU A 38 22.706 16.381 -2.408 1.00 0.00 C ATOM 611 OE1 GLU A 38 23.165 15.692 -3.345 1.00 0.00 O ATOM 612 OE2 GLU A 38 22.609 16.025 -1.214 1.00 0.00 O ATOM 0 H GLU A 38 19.943 19.122 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 38 22.567 19.532 -4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.359 17.961 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.481 16.807 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.075 18.459 -2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.606 18.177 -1.942 1.00 0.00 H new ATOM 619 N HIS A 39 22.073 18.040 -7.279 1.00 0.00 N ATOM 620 CA HIS A 39 22.724 17.456 -8.439 1.00 0.00 C ATOM 621 C HIS A 39 24.029 18.202 -8.725 1.00 0.00 C ATOM 622 O HIS A 39 24.033 19.425 -8.856 1.00 0.00 O ATOM 623 CB HIS A 39 21.777 17.436 -9.641 1.00 0.00 C ATOM 624 CG HIS A 39 22.186 16.474 -10.729 1.00 0.00 C ATOM 625 ND1 HIS A 39 22.149 16.802 -12.074 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.643 15.190 -10.659 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.566 15.754 -12.771 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.870 14.757 -11.892 1.00 0.00 N ATOM 0 H HIS A 39 21.089 18.272 -7.415 1.00 0.00 H new ATOM 0 HA HIS A 39 22.978 16.416 -8.233 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.776 17.175 -9.297 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.719 18.440 -10.061 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.852 17.697 -12.462 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.794 14.622 -9.753 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.650 15.700 -13.846 1.00 0.00 H new ATOM 636 N PRO A 40 25.133 17.414 -8.814 1.00 0.00 N ATOM 637 CA PRO A 40 26.442 17.986 -9.081 1.00 0.00 C ATOM 638 C PRO A 40 26.572 18.395 -10.549 1.00 0.00 C ATOM 639 O PRO A 40 27.306 19.325 -10.876 1.00 0.00 O ATOM 640 CB PRO A 40 27.433 16.908 -8.673 1.00 0.00 C ATOM 641 CG PRO A 40 26.644 15.611 -8.632 1.00 0.00 C ATOM 642 CD PRO A 40 25.166 15.962 -8.662 1.00 0.00 C ATOM 0 HA PRO A 40 26.622 18.905 -8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.255 16.843 -9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.872 17.129 -7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.903 14.980 -9.482 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.884 15.047 -7.731 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.658 15.466 -9.489 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.666 15.648 -7.746 1.00 0.00 H new ATOM 650 N GLY A 41 25.848 17.677 -11.396 1.00 0.00 N ATOM 651 CA GLY A 41 25.873 17.953 -12.823 1.00 0.00 C ATOM 652 C GLY A 41 25.310 19.343 -13.122 1.00 0.00 C ATOM 653 O GLY A 41 26.044 20.239 -13.537 1.00 0.00 O ATOM 0 H GLY A 41 25.241 16.905 -11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.896 17.884 -13.193 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.291 17.199 -13.353 1.00 0.00 H new ATOM 657 N GLY A 42 24.011 19.480 -12.900 1.00 0.00 N ATOM 658 CA GLY A 42 23.340 20.747 -13.141 1.00 0.00 C ATOM 659 C GLY A 42 21.885 20.694 -12.675 1.00 0.00 C ATOM 660 O GLY A 42 21.269 19.629 -12.669 1.00 0.00 O ATOM 0 H GLY A 42 23.405 18.735 -12.556 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.865 21.546 -12.617 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.377 20.986 -14.204 1.00 0.00 H new ATOM 664 N GLU A 43 21.375 21.857 -12.295 1.00 0.00 N ATOM 665 CA GLU A 43 20.004 21.956 -11.828 1.00 0.00 C ATOM 666 C GLU A 43 19.058 22.199 -13.006 1.00 0.00 C ATOM 667 O GLU A 43 17.851 21.987 -12.892 1.00 0.00 O ATOM 668 CB GLU A 43 19.862 23.057 -10.775 1.00 0.00 C ATOM 669 CG GLU A 43 20.074 24.440 -11.395 1.00 0.00 C ATOM 670 CD GLU A 43 20.764 25.383 -10.407 1.00 0.00 C ATOM 671 OE1 GLU A 43 20.196 25.570 -9.309 1.00 0.00 O ATOM 672 OE2 GLU A 43 21.843 25.897 -10.773 1.00 0.00 O ATOM 0 H GLU A 43 21.888 22.739 -12.301 1.00 0.00 H new ATOM 0 HA GLU A 43 19.732 21.011 -11.358 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.872 23.006 -10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.587 22.897 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.677 24.349 -12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.114 24.860 -11.694 1.00 0.00 H new ATOM 679 N GLU A 44 19.641 22.639 -14.110 1.00 0.00 N ATOM 680 CA GLU A 44 18.866 22.913 -15.309 1.00 0.00 C ATOM 681 C GLU A 44 18.707 21.639 -16.141 1.00 0.00 C ATOM 682 O GLU A 44 17.590 21.245 -16.473 1.00 0.00 O ATOM 683 CB GLU A 44 19.507 24.031 -16.133 1.00 0.00 C ATOM 684 CG GLU A 44 19.538 25.343 -15.347 1.00 0.00 C ATOM 685 CD GLU A 44 18.412 26.278 -15.795 1.00 0.00 C ATOM 686 OE1 GLU A 44 18.261 26.435 -17.025 1.00 0.00 O ATOM 687 OE2 GLU A 44 17.728 26.813 -14.896 1.00 0.00 O ATOM 0 H GLU A 44 20.642 22.813 -14.201 1.00 0.00 H new ATOM 0 HA GLU A 44 17.875 23.252 -15.008 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.521 23.746 -16.412 1.00 0.00 H new ATOM 0 HB3 GLU A 44 18.949 24.171 -17.059 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.440 25.135 -14.281 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.501 25.834 -15.489 1.00 0.00 H new ATOM 694 N VAL A 45 19.842 21.030 -16.453 1.00 0.00 N ATOM 695 CA VAL A 45 19.843 19.809 -17.241 1.00 0.00 C ATOM 696 C VAL A 45 18.683 18.917 -16.792 1.00 0.00 C ATOM 697 O VAL A 45 18.150 18.142 -17.584 1.00 0.00 O ATOM 698 CB VAL A 45 21.204 19.119 -17.134 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.833 19.355 -15.759 1.00 0.00 C ATOM 700 CG2 VAL A 45 21.086 17.622 -17.432 1.00 0.00 C ATOM 0 H VAL A 45 20.766 21.359 -16.175 1.00 0.00 H new ATOM 0 HA VAL A 45 19.690 20.035 -18.296 1.00 0.00 H new ATOM 0 HB VAL A 45 21.861 19.560 -17.884 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.800 18.854 -15.710 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.971 20.425 -15.601 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.177 18.955 -14.985 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.068 17.156 -17.349 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.404 17.161 -16.717 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.702 17.481 -18.442 1.00 0.00 H new ATOM 710 N LEU A 46 18.329 19.056 -15.523 1.00 0.00 N ATOM 711 CA LEU A 46 17.243 18.272 -14.959 1.00 0.00 C ATOM 712 C LEU A 46 15.912 18.967 -15.255 1.00 0.00 C ATOM 713 O LEU A 46 15.069 18.424 -15.968 1.00 0.00 O ATOM 714 CB LEU A 46 17.485 18.014 -13.471 1.00 0.00 C ATOM 715 CG LEU A 46 18.931 17.720 -13.068 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.204 18.179 -11.634 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.267 16.240 -13.269 1.00 0.00 C ATOM 0 H LEU A 46 18.775 19.700 -14.869 1.00 0.00 H new ATOM 0 HA LEU A 46 17.200 17.288 -15.426 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.143 18.884 -12.911 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.865 17.172 -13.163 1.00 0.00 H new ATOM 0 HG LEU A 46 19.590 18.292 -13.721 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.239 17.958 -11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.031 19.252 -11.556 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.537 17.654 -10.951 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.301 16.058 -12.975 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.603 15.630 -12.657 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.137 15.977 -14.319 1.00 0.00 H new ATOM 729 N ARG A 47 15.764 20.157 -14.692 1.00 0.00 N ATOM 730 CA ARG A 47 14.549 20.931 -14.885 1.00 0.00 C ATOM 731 C ARG A 47 14.276 21.123 -16.378 1.00 0.00 C ATOM 732 O ARG A 47 13.202 20.772 -16.866 1.00 0.00 O ATOM 733 CB ARG A 47 14.657 22.301 -14.213 1.00 0.00 C ATOM 734 CG ARG A 47 14.665 22.164 -12.689 1.00 0.00 C ATOM 735 CD ARG A 47 13.807 23.251 -12.037 1.00 0.00 C ATOM 736 NE ARG A 47 14.580 23.940 -10.980 1.00 0.00 N ATOM 737 CZ ARG A 47 15.488 24.897 -11.215 1.00 0.00 C ATOM 738 NH1 ARG A 47 15.741 25.285 -12.472 1.00 0.00 N ATOM 739 NH2 ARG A 47 16.142 25.467 -10.193 1.00 0.00 N ATOM 0 H ARG A 47 16.465 20.604 -14.102 1.00 0.00 H new ATOM 0 HA ARG A 47 13.727 20.379 -14.429 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.568 22.801 -14.542 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.821 22.928 -14.521 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.289 21.181 -12.407 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.688 22.232 -12.319 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.483 23.970 -12.789 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.907 22.808 -11.611 1.00 0.00 H new ATOM 0 HE ARG A 47 14.411 23.669 -10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.243 24.852 -13.249 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.432 26.013 -12.652 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.949 25.172 -9.236 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.833 26.195 -10.373 1.00 0.00 H new ATOM 753 N GLU A 48 15.265 21.678 -17.062 1.00 0.00 N ATOM 754 CA GLU A 48 15.144 21.922 -18.490 1.00 0.00 C ATOM 755 C GLU A 48 14.330 20.807 -19.150 1.00 0.00 C ATOM 756 O GLU A 48 13.462 21.075 -19.980 1.00 0.00 O ATOM 757 CB GLU A 48 16.521 22.056 -19.142 1.00 0.00 C ATOM 758 CG GLU A 48 16.396 22.509 -20.598 1.00 0.00 C ATOM 759 CD GLU A 48 17.458 23.556 -20.939 1.00 0.00 C ATOM 760 OE1 GLU A 48 18.578 23.427 -20.399 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.125 24.464 -21.733 1.00 0.00 O ATOM 0 H GLU A 48 16.154 21.966 -16.654 1.00 0.00 H new ATOM 0 HA GLU A 48 14.617 22.865 -18.635 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.123 22.773 -18.585 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.043 21.100 -19.098 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.501 21.650 -21.260 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.403 22.924 -20.770 1.00 0.00 H new ATOM 768 N GLN A 49 14.640 19.579 -18.758 1.00 0.00 N ATOM 769 CA GLN A 49 13.949 18.423 -19.302 1.00 0.00 C ATOM 770 C GLN A 49 13.473 17.509 -18.171 1.00 0.00 C ATOM 771 O GLN A 49 13.678 16.298 -18.221 1.00 0.00 O ATOM 772 CB GLN A 49 14.842 17.662 -20.283 1.00 0.00 C ATOM 773 CG GLN A 49 16.078 17.101 -19.579 1.00 0.00 C ATOM 774 CD GLN A 49 17.266 17.017 -20.539 1.00 0.00 C ATOM 775 OE1 GLN A 49 17.324 16.180 -21.424 1.00 0.00 O ATOM 776 NE2 GLN A 49 18.208 17.929 -20.316 1.00 0.00 N ATOM 0 H GLN A 49 15.361 19.360 -18.070 1.00 0.00 H new ATOM 0 HA GLN A 49 13.076 18.772 -19.853 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.277 16.848 -20.737 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.150 18.326 -21.091 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.336 17.734 -18.730 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.856 16.110 -19.182 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.097 18.602 -19.557 1.00 0.00 H new ATOM 0 HE22 GLN A 49 19.041 17.956 -20.904 1.00 0.00 H new ATOM 785 N ALA A 50 12.847 18.125 -17.179 1.00 0.00 N ATOM 786 CA ALA A 50 12.341 17.381 -16.038 1.00 0.00 C ATOM 787 C ALA A 50 11.145 16.533 -16.477 1.00 0.00 C ATOM 788 O ALA A 50 11.316 15.408 -16.943 1.00 0.00 O ATOM 789 CB ALA A 50 11.984 18.354 -14.912 1.00 0.00 C ATOM 0 H ALA A 50 12.679 19.130 -17.142 1.00 0.00 H new ATOM 0 HA ALA A 50 13.103 16.703 -15.654 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.604 17.796 -14.056 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.873 18.911 -14.617 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.220 19.049 -15.260 1.00 0.00 H new ATOM 795 N GLY A 51 9.962 17.106 -16.311 1.00 0.00 N ATOM 796 CA GLY A 51 8.738 16.417 -16.684 1.00 0.00 C ATOM 797 C GLY A 51 8.924 15.637 -17.987 1.00 0.00 C ATOM 798 O GLY A 51 8.312 14.588 -18.180 1.00 0.00 O ATOM 0 H GLY A 51 9.825 18.039 -15.923 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.443 15.735 -15.887 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.930 17.140 -16.801 1.00 0.00 H new ATOM 802 N GLY A 52 9.771 16.180 -18.849 1.00 0.00 N ATOM 803 CA GLY A 52 10.045 15.549 -20.129 1.00 0.00 C ATOM 804 C GLY A 52 10.622 14.146 -19.936 1.00 0.00 C ATOM 805 O GLY A 52 10.206 13.418 -19.035 1.00 0.00 O ATOM 0 H GLY A 52 10.277 17.051 -18.686 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.127 15.491 -20.714 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.747 16.160 -20.697 1.00 0.00 H new ATOM 809 N ASP A 53 11.572 13.807 -20.795 1.00 0.00 N ATOM 810 CA ASP A 53 12.210 12.504 -20.731 1.00 0.00 C ATOM 811 C ASP A 53 13.730 12.685 -20.727 1.00 0.00 C ATOM 812 O ASP A 53 14.309 13.115 -21.725 1.00 0.00 O ATOM 813 CB ASP A 53 11.838 11.647 -21.942 1.00 0.00 C ATOM 814 CG ASP A 53 12.329 12.183 -23.288 1.00 0.00 C ATOM 815 OD1 ASP A 53 12.303 13.423 -23.449 1.00 0.00 O ATOM 816 OD2 ASP A 53 12.720 11.341 -24.126 1.00 0.00 O ATOM 0 H ASP A 53 11.915 14.413 -21.540 1.00 0.00 H new ATOM 0 HA ASP A 53 11.871 12.007 -19.822 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.242 10.645 -21.797 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.753 11.550 -21.980 1.00 0.00 H new ATOM 821 N ALA A 54 14.332 12.347 -19.597 1.00 0.00 N ATOM 822 CA ALA A 54 15.773 12.467 -19.452 1.00 0.00 C ATOM 823 C ALA A 54 16.379 11.075 -19.264 1.00 0.00 C ATOM 824 O ALA A 54 17.385 10.920 -18.572 1.00 0.00 O ATOM 825 CB ALA A 54 16.092 13.405 -18.285 1.00 0.00 C ATOM 0 H ALA A 54 13.849 11.990 -18.773 1.00 0.00 H new ATOM 0 HA ALA A 54 16.215 12.901 -20.349 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.173 13.495 -18.176 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.664 14.388 -18.481 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.667 13.000 -17.366 1.00 0.00 H new ATOM 831 N THR A 55 15.743 10.098 -19.892 1.00 0.00 N ATOM 832 CA THR A 55 16.207 8.723 -19.803 1.00 0.00 C ATOM 833 C THR A 55 17.603 8.592 -20.414 1.00 0.00 C ATOM 834 O THR A 55 18.562 8.262 -19.718 1.00 0.00 O ATOM 835 CB THR A 55 15.162 7.827 -20.470 1.00 0.00 C ATOM 836 OG1 THR A 55 14.120 7.728 -19.504 1.00 0.00 O ATOM 837 CG2 THR A 55 15.651 6.387 -20.642 1.00 0.00 C ATOM 0 H THR A 55 14.910 10.230 -20.465 1.00 0.00 H new ATOM 0 HA THR A 55 16.311 8.406 -18.765 1.00 0.00 H new ATOM 0 HB THR A 55 14.898 8.240 -21.444 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.900 8.622 -19.168 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.872 5.793 -21.120 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.546 6.379 -21.263 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.883 5.962 -19.665 1.00 0.00 H new ATOM 845 N GLU A 56 17.672 8.856 -21.711 1.00 0.00 N ATOM 846 CA GLU A 56 18.935 8.771 -22.425 1.00 0.00 C ATOM 847 C GLU A 56 19.922 9.807 -21.884 1.00 0.00 C ATOM 848 O GLU A 56 21.118 9.539 -21.787 1.00 0.00 O ATOM 849 CB GLU A 56 18.727 8.946 -23.930 1.00 0.00 C ATOM 850 CG GLU A 56 17.888 7.802 -24.504 1.00 0.00 C ATOM 851 CD GLU A 56 18.776 6.754 -25.177 1.00 0.00 C ATOM 852 OE1 GLU A 56 19.874 6.509 -24.635 1.00 0.00 O ATOM 853 OE2 GLU A 56 18.337 6.223 -26.221 1.00 0.00 O ATOM 0 H GLU A 56 16.874 9.129 -22.285 1.00 0.00 H new ATOM 0 HA GLU A 56 19.355 7.778 -22.263 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.232 9.898 -24.124 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.693 8.981 -24.433 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.309 7.335 -23.707 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.174 8.197 -25.227 1.00 0.00 H new ATOM 860 N ASN A 57 19.384 10.970 -21.546 1.00 0.00 N ATOM 861 CA ASN A 57 20.202 12.048 -21.018 1.00 0.00 C ATOM 862 C ASN A 57 20.782 11.626 -19.666 1.00 0.00 C ATOM 863 O ASN A 57 21.797 12.165 -19.228 1.00 0.00 O ATOM 864 CB ASN A 57 19.371 13.314 -20.801 1.00 0.00 C ATOM 865 CG ASN A 57 19.407 14.212 -22.040 1.00 0.00 C ATOM 866 OD1 ASN A 57 19.995 15.281 -22.047 1.00 0.00 O ATOM 867 ND2 ASN A 57 18.748 13.719 -23.085 1.00 0.00 N ATOM 0 H ASN A 57 18.391 11.189 -21.628 1.00 0.00 H new ATOM 0 HA ASN A 57 20.994 12.255 -21.738 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.340 13.042 -20.574 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.753 13.861 -19.939 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.714 14.243 -23.960 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.277 12.817 -23.012 1.00 0.00 H new ATOM 874 N PHE A 58 20.113 10.667 -19.045 1.00 0.00 N ATOM 875 CA PHE A 58 20.549 10.168 -17.752 1.00 0.00 C ATOM 876 C PHE A 58 21.519 8.996 -17.916 1.00 0.00 C ATOM 877 O PHE A 58 22.503 8.893 -17.185 1.00 0.00 O ATOM 878 CB PHE A 58 19.300 9.681 -17.015 1.00 0.00 C ATOM 879 CG PHE A 58 19.579 8.610 -15.959 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.833 7.329 -16.339 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.571 8.938 -14.639 1.00 0.00 C ATOM 882 CE1 PHE A 58 20.091 6.335 -15.358 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.829 7.944 -13.659 1.00 0.00 C ATOM 884 CZ PHE A 58 20.084 6.664 -14.039 1.00 0.00 C ATOM 0 H PHE A 58 19.272 10.222 -19.413 1.00 0.00 H new ATOM 0 HA PHE A 58 21.063 10.957 -17.203 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.818 10.533 -16.535 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.593 9.283 -17.743 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.838 7.068 -17.387 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.368 9.955 -14.336 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.293 5.318 -15.660 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.823 8.205 -12.611 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.281 5.908 -13.293 1.00 0.00 H new ATOM 894 N GLU A 59 21.208 8.143 -18.880 1.00 0.00 N ATOM 895 CA GLU A 59 22.040 6.982 -19.150 1.00 0.00 C ATOM 896 C GLU A 59 23.269 7.388 -19.964 1.00 0.00 C ATOM 897 O GLU A 59 24.353 6.836 -19.775 1.00 0.00 O ATOM 898 CB GLU A 59 21.242 5.891 -19.869 1.00 0.00 C ATOM 899 CG GLU A 59 20.190 5.279 -18.941 1.00 0.00 C ATOM 900 CD GLU A 59 19.849 3.850 -19.366 1.00 0.00 C ATOM 901 OE1 GLU A 59 20.680 2.960 -19.083 1.00 0.00 O ATOM 902 OE2 GLU A 59 18.765 3.680 -19.965 1.00 0.00 O ATOM 0 H GLU A 59 20.391 8.232 -19.484 1.00 0.00 H new ATOM 0 HA GLU A 59 22.378 6.572 -18.198 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.755 6.312 -20.749 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.919 5.112 -20.221 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.560 5.279 -17.916 1.00 0.00 H new ATOM 0 HG3 GLU A 59 19.288 5.891 -18.954 1.00 0.00 H new ATOM 909 N ASP A 60 23.062 8.350 -20.851 1.00 0.00 N ATOM 910 CA ASP A 60 24.141 8.836 -21.694 1.00 0.00 C ATOM 911 C ASP A 60 25.290 9.328 -20.811 1.00 0.00 C ATOM 912 O ASP A 60 26.452 9.024 -21.073 1.00 0.00 O ATOM 913 CB ASP A 60 23.676 10.008 -22.561 1.00 0.00 C ATOM 914 CG ASP A 60 24.740 10.576 -23.504 1.00 0.00 C ATOM 915 OD1 ASP A 60 25.033 9.891 -24.507 1.00 0.00 O ATOM 916 OD2 ASP A 60 25.235 11.682 -23.198 1.00 0.00 O ATOM 0 H ASP A 60 22.163 8.806 -21.004 1.00 0.00 H new ATOM 0 HA ASP A 60 24.463 8.017 -22.337 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.821 9.685 -23.155 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.326 10.808 -21.908 1.00 0.00 H new ATOM 921 N VAL A 61 24.924 10.078 -19.782 1.00 0.00 N ATOM 922 CA VAL A 61 25.910 10.615 -18.859 1.00 0.00 C ATOM 923 C VAL A 61 26.524 9.469 -18.053 1.00 0.00 C ATOM 924 O VAL A 61 27.590 9.625 -17.459 1.00 0.00 O ATOM 925 CB VAL A 61 25.271 11.691 -17.979 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.528 12.724 -18.827 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.342 11.066 -16.937 1.00 0.00 C ATOM 0 H VAL A 61 23.958 10.327 -19.567 1.00 0.00 H new ATOM 0 HA VAL A 61 26.720 11.099 -19.404 1.00 0.00 H new ATOM 0 HB VAL A 61 26.071 12.208 -17.448 1.00 0.00 H new ATOM 0 HG11 VAL A 61 24.083 13.477 -18.176 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.227 13.203 -19.512 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.743 12.229 -19.398 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.901 11.852 -16.325 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.550 10.512 -17.441 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.912 10.388 -16.302 1.00 0.00 H new ATOM 937 N GLY A 62 25.826 8.343 -18.058 1.00 0.00 N ATOM 938 CA GLY A 62 26.289 7.172 -17.335 1.00 0.00 C ATOM 939 C GLY A 62 26.388 7.457 -15.836 1.00 0.00 C ATOM 940 O GLY A 62 27.462 7.784 -15.332 1.00 0.00 O ATOM 0 H GLY A 62 24.942 8.217 -18.552 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.605 6.341 -17.506 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.264 6.867 -17.716 1.00 0.00 H new ATOM 944 N HIS A 63 25.254 7.324 -15.163 1.00 0.00 N ATOM 945 CA HIS A 63 25.200 7.564 -13.731 1.00 0.00 C ATOM 946 C HIS A 63 25.937 6.442 -12.995 1.00 0.00 C ATOM 947 O HIS A 63 25.830 5.275 -13.367 1.00 0.00 O ATOM 948 CB HIS A 63 23.753 7.730 -13.262 1.00 0.00 C ATOM 949 CG HIS A 63 23.172 9.097 -13.537 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.892 9.549 -14.814 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.820 10.103 -12.686 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.396 10.774 -14.725 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.352 11.115 -13.406 1.00 0.00 N ATOM 0 H HIS A 63 24.365 7.053 -15.584 1.00 0.00 H new ATOM 0 HA HIS A 63 25.706 8.500 -13.496 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.134 6.978 -13.752 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.704 7.534 -12.191 1.00 0.00 H new ATOM 0 HD1 HIS A 63 23.042 9.027 -15.678 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.907 10.080 -11.610 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.082 11.394 -15.552 1.00 0.00 H new ATOM 961 N SER A 64 26.668 6.837 -11.963 1.00 0.00 N ATOM 962 CA SER A 64 27.422 5.880 -11.171 1.00 0.00 C ATOM 963 C SER A 64 26.496 5.180 -10.174 1.00 0.00 C ATOM 964 O SER A 64 25.347 5.584 -10.000 1.00 0.00 O ATOM 965 CB SER A 64 28.576 6.563 -10.434 1.00 0.00 C ATOM 966 OG SER A 64 29.825 6.355 -11.089 1.00 0.00 O ATOM 0 H SER A 64 26.754 7.806 -11.657 1.00 0.00 H new ATOM 0 HA SER A 64 27.846 5.137 -11.846 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.378 7.632 -10.362 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.633 6.180 -9.415 1.00 0.00 H new ATOM 0 HG SER A 64 30.536 6.808 -10.589 1.00 0.00 H new ATOM 972 N THR A 65 27.030 4.143 -9.548 1.00 0.00 N ATOM 973 CA THR A 65 26.266 3.383 -8.573 1.00 0.00 C ATOM 974 C THR A 65 25.646 4.319 -7.533 1.00 0.00 C ATOM 975 O THR A 65 24.462 4.208 -7.220 1.00 0.00 O ATOM 976 CB THR A 65 27.192 2.327 -7.965 1.00 0.00 C ATOM 977 OG1 THR A 65 26.988 1.176 -8.780 1.00 0.00 O ATOM 978 CG2 THR A 65 26.739 1.883 -6.573 1.00 0.00 C ATOM 0 H THR A 65 27.983 3.810 -9.696 1.00 0.00 H new ATOM 0 HA THR A 65 25.427 2.869 -9.042 1.00 0.00 H new ATOM 0 HB THR A 65 28.206 2.723 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.552 0.442 -8.457 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.430 1.134 -6.187 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.725 2.743 -5.903 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.738 1.456 -6.635 1.00 0.00 H new ATOM 986 N ASP A 66 26.475 5.220 -7.027 1.00 0.00 N ATOM 987 CA ASP A 66 26.024 6.175 -6.029 1.00 0.00 C ATOM 988 C ASP A 66 24.630 6.680 -6.406 1.00 0.00 C ATOM 989 O ASP A 66 23.762 6.815 -5.546 1.00 0.00 O ATOM 990 CB ASP A 66 26.962 7.382 -5.959 1.00 0.00 C ATOM 991 CG ASP A 66 28.448 7.041 -5.835 1.00 0.00 C ATOM 992 OD1 ASP A 66 28.818 6.499 -4.771 1.00 0.00 O ATOM 993 OD2 ASP A 66 29.179 7.330 -6.806 1.00 0.00 O ATOM 0 H ASP A 66 27.457 5.309 -7.289 1.00 0.00 H new ATOM 0 HA ASP A 66 26.011 5.672 -5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 66 26.817 7.988 -6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.674 7.998 -5.107 1.00 0.00 H new ATOM 998 N ALA A 67 24.459 6.944 -7.693 1.00 0.00 N ATOM 999 CA ALA A 67 23.186 7.431 -8.195 1.00 0.00 C ATOM 1000 C ALA A 67 22.137 6.324 -8.070 1.00 0.00 C ATOM 1001 O ALA A 67 21.030 6.564 -7.589 1.00 0.00 O ATOM 1002 CB ALA A 67 23.356 7.913 -9.637 1.00 0.00 C ATOM 0 H ALA A 67 25.182 6.830 -8.404 1.00 0.00 H new ATOM 0 HA ALA A 67 22.841 8.281 -7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.401 8.278 -10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.090 8.718 -9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.699 7.086 -10.259 1.00 0.00 H new ATOM 1008 N ARG A 68 22.521 5.135 -8.510 1.00 0.00 N ATOM 1009 CA ARG A 68 21.628 3.991 -8.452 1.00 0.00 C ATOM 1010 C ARG A 68 20.839 3.999 -7.142 1.00 0.00 C ATOM 1011 O ARG A 68 19.634 3.751 -7.137 1.00 0.00 O ATOM 1012 CB ARG A 68 22.406 2.678 -8.563 1.00 0.00 C ATOM 1013 CG ARG A 68 21.555 1.590 -9.220 1.00 0.00 C ATOM 1014 CD ARG A 68 22.067 1.267 -10.625 1.00 0.00 C ATOM 1015 NE ARG A 68 20.964 0.728 -11.453 1.00 0.00 N ATOM 1016 CZ ARG A 68 20.981 0.687 -12.792 1.00 0.00 C ATOM 1017 NH1 ARG A 68 22.043 1.155 -13.463 1.00 0.00 N ATOM 1018 NH2 ARG A 68 19.937 0.181 -13.461 1.00 0.00 N ATOM 0 H ARG A 68 23.439 4.939 -8.908 1.00 0.00 H new ATOM 0 HA ARG A 68 20.940 4.065 -9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.313 2.837 -9.146 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.718 2.351 -7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.573 0.689 -8.607 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.517 1.918 -9.274 1.00 0.00 H new ATOM 0 HD2 ARG A 68 22.475 2.165 -11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.878 0.541 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 68 20.140 0.365 -10.974 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.838 1.542 -12.954 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.056 1.124 -14.482 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.128 -0.174 -12.951 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.951 0.150 -14.480 1.00 0.00 H new ATOM 1032 N GLU A 69 21.550 4.287 -6.061 1.00 0.00 N ATOM 1033 CA GLU A 69 20.930 4.331 -4.747 1.00 0.00 C ATOM 1034 C GLU A 69 19.978 5.524 -4.649 1.00 0.00 C ATOM 1035 O GLU A 69 18.787 5.352 -4.391 1.00 0.00 O ATOM 1036 CB GLU A 69 21.989 4.382 -3.644 1.00 0.00 C ATOM 1037 CG GLU A 69 22.066 3.049 -2.896 1.00 0.00 C ATOM 1038 CD GLU A 69 22.132 3.273 -1.384 1.00 0.00 C ATOM 1039 OE1 GLU A 69 23.244 3.576 -0.903 1.00 0.00 O ATOM 1040 OE2 GLU A 69 21.068 3.134 -0.743 1.00 0.00 O ATOM 0 H GLU A 69 22.549 4.492 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 69 20.351 3.418 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 69 22.961 4.616 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.752 5.183 -2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.195 2.440 -3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.945 2.494 -3.224 1.00 0.00 H new ATOM 1047 N LEU A 70 20.537 6.706 -4.860 1.00 0.00 N ATOM 1048 CA LEU A 70 19.752 7.927 -4.798 1.00 0.00 C ATOM 1049 C LEU A 70 18.485 7.756 -5.640 1.00 0.00 C ATOM 1050 O LEU A 70 17.375 7.786 -5.111 1.00 0.00 O ATOM 1051 CB LEU A 70 20.603 9.132 -5.204 1.00 0.00 C ATOM 1052 CG LEU A 70 21.398 9.799 -4.080 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.680 8.811 -2.946 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.682 10.434 -4.620 1.00 0.00 C ATOM 0 H LEU A 70 21.525 6.844 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 70 19.431 8.123 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.302 8.814 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.949 9.879 -5.653 1.00 0.00 H new ATOM 0 HG LEU A 70 20.791 10.603 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.246 9.311 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.737 8.447 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.258 7.971 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.229 10.901 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.303 9.665 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.429 11.189 -5.365 1.00 0.00 H new ATOM 1066 N SER A 71 18.694 7.583 -6.937 1.00 0.00 N ATOM 1067 CA SER A 71 17.584 7.408 -7.857 1.00 0.00 C ATOM 1068 C SER A 71 16.512 6.520 -7.222 1.00 0.00 C ATOM 1069 O SER A 71 15.346 6.903 -7.150 1.00 0.00 O ATOM 1070 CB SER A 71 18.056 6.806 -9.183 1.00 0.00 C ATOM 1071 OG SER A 71 19.075 5.829 -8.991 1.00 0.00 O ATOM 0 H SER A 71 19.616 7.560 -7.372 1.00 0.00 H new ATOM 0 HA SER A 71 17.156 8.389 -8.067 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.209 6.351 -9.697 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.431 7.600 -9.829 1.00 0.00 H new ATOM 0 HG SER A 71 19.904 6.271 -8.712 1.00 0.00 H new ATOM 1077 N LYS A 72 16.947 5.350 -6.778 1.00 0.00 N ATOM 1078 CA LYS A 72 16.040 4.403 -6.150 1.00 0.00 C ATOM 1079 C LYS A 72 15.448 5.031 -4.887 1.00 0.00 C ATOM 1080 O LYS A 72 14.282 4.806 -4.565 1.00 0.00 O ATOM 1081 CB LYS A 72 16.745 3.069 -5.901 1.00 0.00 C ATOM 1082 CG LYS A 72 16.183 1.973 -6.809 1.00 0.00 C ATOM 1083 CD LYS A 72 15.040 1.225 -6.121 1.00 0.00 C ATOM 1084 CE LYS A 72 15.436 -0.221 -5.815 1.00 0.00 C ATOM 1085 NZ LYS A 72 14.313 -0.942 -5.178 1.00 0.00 N ATOM 0 H LYS A 72 17.915 5.036 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 72 15.206 4.177 -6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.815 3.180 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.624 2.779 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.826 2.414 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.975 1.272 -7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.771 1.736 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.157 1.236 -6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.726 -0.728 -6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.305 -0.235 -5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.599 -1.922 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.055 -0.467 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.494 -0.945 -5.819 1.00 0.00 H new ATOM 1099 N THR A 73 16.279 5.807 -4.206 1.00 0.00 N ATOM 1100 CA THR A 73 15.851 6.469 -2.985 1.00 0.00 C ATOM 1101 C THR A 73 14.869 7.597 -3.305 1.00 0.00 C ATOM 1102 O THR A 73 13.982 7.897 -2.508 1.00 0.00 O ATOM 1103 CB THR A 73 17.102 6.945 -2.243 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.261 6.002 -1.187 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.885 8.278 -1.523 1.00 0.00 C ATOM 0 H THR A 73 17.245 5.992 -4.476 1.00 0.00 H new ATOM 0 HA THR A 73 15.308 5.784 -2.333 1.00 0.00 H new ATOM 0 HB THR A 73 17.926 7.044 -2.950 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.051 6.235 -0.656 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.803 8.570 -1.013 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.614 9.044 -2.250 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.083 8.171 -0.793 1.00 0.00 H new ATOM 1113 N TYR A 74 15.060 8.190 -4.474 1.00 0.00 N ATOM 1114 CA TYR A 74 14.201 9.278 -4.910 1.00 0.00 C ATOM 1115 C TYR A 74 13.145 8.782 -5.899 1.00 0.00 C ATOM 1116 O TYR A 74 12.820 9.471 -6.865 1.00 0.00 O ATOM 1117 CB TYR A 74 15.115 10.280 -5.618 1.00 0.00 C ATOM 1118 CG TYR A 74 15.880 11.205 -4.669 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.061 10.780 -4.095 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.389 12.463 -4.386 1.00 0.00 C ATOM 1121 CE1 TYR A 74 17.781 11.651 -3.202 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.108 13.333 -3.493 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.269 12.884 -2.945 1.00 0.00 C ATOM 1124 OH TYR A 74 17.948 13.706 -2.101 1.00 0.00 O ATOM 0 H TYR A 74 15.797 7.938 -5.133 1.00 0.00 H new ATOM 0 HA TYR A 74 13.678 9.717 -4.060 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.831 9.733 -6.231 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.515 10.888 -6.295 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.445 9.795 -4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.465 12.795 -4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.707 11.332 -2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.734 14.320 -3.263 1.00 0.00 H new ATOM 0 HH TYR A 74 17.465 14.554 -2.012 1.00 0.00 H new ATOM 1134 N ILE A 75 12.638 7.589 -5.624 1.00 0.00 N ATOM 1135 CA ILE A 75 11.626 6.991 -6.478 1.00 0.00 C ATOM 1136 C ILE A 75 10.275 7.022 -5.760 1.00 0.00 C ATOM 1137 O ILE A 75 10.203 6.781 -4.555 1.00 0.00 O ATOM 1138 CB ILE A 75 12.055 5.590 -6.919 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.228 5.114 -8.114 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.994 4.605 -5.750 1.00 0.00 C ATOM 1141 CD1 ILE A 75 11.393 6.058 -9.307 1.00 0.00 C ATOM 0 H ILE A 75 12.909 7.021 -4.822 1.00 0.00 H new ATOM 0 HA ILE A 75 11.514 7.568 -7.396 1.00 0.00 H new ATOM 0 HB ILE A 75 13.094 5.638 -7.246 1.00 0.00 H new ATOM 0 HG12 ILE A 75 11.537 4.108 -8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.176 5.057 -7.833 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.304 3.617 -6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.661 4.941 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.974 4.554 -5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.794 5.696 -10.143 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.060 7.058 -9.028 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.442 6.093 -9.601 1.00 0.00 H new ATOM 1153 N ILE A 76 9.239 7.323 -6.528 1.00 0.00 N ATOM 1154 CA ILE A 76 7.894 7.388 -5.980 1.00 0.00 C ATOM 1155 C ILE A 76 6.976 6.464 -6.781 1.00 0.00 C ATOM 1156 O ILE A 76 6.050 5.871 -6.227 1.00 0.00 O ATOM 1157 CB ILE A 76 7.410 8.838 -5.924 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.859 9.285 -7.279 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.516 9.767 -5.420 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.966 9.878 -8.153 1.00 0.00 C ATOM 0 H ILE A 76 9.303 7.525 -7.526 1.00 0.00 H new ATOM 0 HA ILE A 76 7.884 7.032 -4.950 1.00 0.00 H new ATOM 0 HB ILE A 76 6.590 8.896 -5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.404 8.436 -7.789 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.073 10.025 -7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.145 10.792 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.820 9.462 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.373 9.711 -6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.547 10.188 -9.110 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.402 10.742 -7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.738 9.128 -8.321 1.00 0.00 H new ATOM 1172 N GLY A 77 7.263 6.369 -8.071 1.00 0.00 N ATOM 1173 CA GLY A 77 6.473 5.526 -8.953 1.00 0.00 C ATOM 1174 C GLY A 77 6.760 5.849 -10.421 1.00 0.00 C ATOM 1175 O GLY A 77 7.702 6.579 -10.728 1.00 0.00 O ATOM 0 H GLY A 77 8.031 6.862 -8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.697 4.477 -8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.413 5.669 -8.746 1.00 0.00 H new ATOM 1179 N GLU A 78 5.930 5.291 -11.290 1.00 0.00 N ATOM 1180 CA GLU A 78 6.082 5.511 -12.718 1.00 0.00 C ATOM 1181 C GLU A 78 4.876 6.275 -13.269 1.00 0.00 C ATOM 1182 O GLU A 78 3.867 6.427 -12.582 1.00 0.00 O ATOM 1183 CB GLU A 78 6.277 4.187 -13.459 1.00 0.00 C ATOM 1184 CG GLU A 78 4.959 3.418 -13.564 1.00 0.00 C ATOM 1185 CD GLU A 78 5.201 1.975 -14.010 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.628 1.178 -13.148 1.00 0.00 O ATOM 1187 OE2 GLU A 78 4.953 1.701 -15.205 1.00 0.00 O ATOM 0 H GLU A 78 5.150 4.687 -11.032 1.00 0.00 H new ATOM 0 HA GLU A 78 6.975 6.115 -12.880 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.670 4.379 -14.457 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.016 3.579 -12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.452 3.424 -12.599 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.299 3.916 -14.274 1.00 0.00 H new ATOM 1194 N LEU A 79 5.020 6.734 -14.503 1.00 0.00 N ATOM 1195 CA LEU A 79 3.955 7.478 -15.154 1.00 0.00 C ATOM 1196 C LEU A 79 3.332 6.613 -16.252 1.00 0.00 C ATOM 1197 O LEU A 79 4.006 5.769 -16.839 1.00 0.00 O ATOM 1198 CB LEU A 79 4.473 8.828 -15.654 1.00 0.00 C ATOM 1199 CG LEU A 79 5.130 8.824 -17.037 1.00 0.00 C ATOM 1200 CD1 LEU A 79 6.301 7.840 -17.084 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.101 8.543 -18.132 1.00 0.00 C ATOM 0 H LEU A 79 5.858 6.605 -15.070 1.00 0.00 H new ATOM 0 HA LEU A 79 3.162 7.710 -14.443 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.640 9.531 -15.671 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.195 9.208 -14.932 1.00 0.00 H new ATOM 0 HG LEU A 79 5.536 9.818 -17.225 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.750 7.856 -18.077 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.047 8.127 -16.343 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.941 6.835 -16.865 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.594 8.546 -19.104 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.644 7.569 -17.960 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.331 9.314 -18.114 1.00 0.00 H new ATOM 1213 N HIS A 80 2.052 6.853 -16.495 1.00 0.00 N ATOM 1214 CA HIS A 80 1.330 6.107 -17.511 1.00 0.00 C ATOM 1215 C HIS A 80 2.283 5.738 -18.649 1.00 0.00 C ATOM 1216 O HIS A 80 2.648 6.589 -19.459 1.00 0.00 O ATOM 1217 CB HIS A 80 0.105 6.888 -17.991 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.024 6.015 -18.485 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.305 6.495 -18.695 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.051 4.691 -18.810 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.061 5.497 -19.124 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.282 4.379 -19.195 1.00 0.00 N ATOM 0 H HIS A 80 1.496 7.554 -16.005 1.00 0.00 H new ATOM 0 HA HIS A 80 0.951 5.178 -17.086 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.261 7.509 -17.173 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.407 7.562 -18.793 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.213 4.012 -18.762 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.110 5.557 -19.374 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.594 3.455 -19.495 1.00 0.00 H new