USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 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 Single : A 8 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.4!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 144:sc= -0.222 (180deg=-0.872) USER MOD Single : A 43 LYS NZ :NH3+ -140:sc= -0.522 (180deg=-0.534) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0179 USER MOD Single : A 50 ASN : amide:sc= -4.25! C(o=-4.2!,f=-11!) USER MOD Single : A 51 THR OG1 : rot 145:sc= 1.42 USER MOD Single : A 57 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.35) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 70 SER OG : rot 92:sc= 0.58 USER MOD Single : A 71 GLN : amide:sc= -0.413 K(o=-0.41,f=-3.2!) 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 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000964) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 22.795 -1.371 25.025 1.00 0.00 N ATOM 2 CA HIS A 8 21.996 -2.051 23.966 1.00 0.00 C ATOM 3 C HIS A 8 21.081 -3.094 24.610 1.00 0.00 C ATOM 4 O HIS A 8 21.179 -3.380 25.786 1.00 0.00 O ATOM 5 CB HIS A 8 22.940 -2.740 22.979 1.00 0.00 C ATOM 6 CG HIS A 8 23.682 -3.844 23.681 1.00 0.00 C ATOM 7 ND1 HIS A 8 23.092 -5.063 23.971 1.00 0.00 N ATOM 8 CD2 HIS A 8 24.968 -3.926 24.156 1.00 0.00 C ATOM 9 CE1 HIS A 8 24.013 -5.821 24.594 1.00 0.00 C ATOM 10 NE2 HIS A 8 25.175 -5.176 24.733 1.00 0.00 N ATOM 0 HA HIS A 8 21.392 -1.315 23.436 1.00 0.00 H new ATOM 0 HB2 HIS A 8 22.374 -3.144 22.140 1.00 0.00 H new ATOM 0 HB3 HIS A 8 23.645 -2.017 22.569 1.00 0.00 H new ATOM 0 HD2 HIS A 8 25.706 -3.140 24.092 1.00 0.00 H new ATOM 0 HE1 HIS A 8 23.835 -6.828 24.940 1.00 0.00 H new ATOM 0 HE2 HIS A 8 26.029 -5.524 25.168 1.00 0.00 H new ATOM 20 N MET A 9 20.191 -3.667 23.846 1.00 0.00 N ATOM 21 CA MET A 9 19.270 -4.692 24.415 1.00 0.00 C ATOM 22 C MET A 9 18.681 -5.531 23.280 1.00 0.00 C ATOM 23 O MET A 9 17.870 -5.063 22.505 1.00 0.00 O ATOM 24 CB MET A 9 18.140 -3.995 25.175 1.00 0.00 C ATOM 25 CG MET A 9 18.028 -4.589 26.581 1.00 0.00 C ATOM 26 SD MET A 9 16.330 -4.403 27.181 1.00 0.00 S ATOM 27 CE MET A 9 16.542 -2.785 27.963 1.00 0.00 C ATOM 0 H MET A 9 20.062 -3.470 22.854 1.00 0.00 H new ATOM 0 HA MET A 9 19.821 -5.339 25.098 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.335 -2.924 25.236 1.00 0.00 H new ATOM 0 HB3 MET A 9 17.198 -4.118 24.641 1.00 0.00 H new ATOM 0 HG2 MET A 9 18.306 -5.643 26.565 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.721 -4.086 27.256 1.00 0.00 H new ATOM 0 HE1 MET A 9 15.598 -2.469 28.407 1.00 0.00 H new ATOM 0 HE2 MET A 9 17.304 -2.853 28.740 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.852 -2.057 27.214 1.00 0.00 H new ATOM 37 N VAL A 10 19.079 -6.770 23.176 1.00 0.00 N ATOM 38 CA VAL A 10 18.540 -7.637 22.091 1.00 0.00 C ATOM 39 C VAL A 10 18.839 -6.999 20.733 1.00 0.00 C ATOM 40 O VAL A 10 17.980 -6.401 20.114 1.00 0.00 O ATOM 41 CB VAL A 10 17.028 -7.787 22.263 1.00 0.00 C ATOM 42 CG1 VAL A 10 16.517 -8.898 21.344 1.00 0.00 C ATOM 43 CG2 VAL A 10 16.713 -8.144 23.717 1.00 0.00 C ATOM 0 H VAL A 10 19.754 -7.219 23.795 1.00 0.00 H new ATOM 0 HA VAL A 10 19.010 -8.619 22.142 1.00 0.00 H new ATOM 0 HB VAL A 10 16.539 -6.848 22.005 1.00 0.00 H new ATOM 0 HG11 VAL A 10 15.439 -9.005 21.467 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.741 -8.645 20.308 1.00 0.00 H new ATOM 0 HG13 VAL A 10 17.006 -9.837 21.602 1.00 0.00 H new ATOM 0 HG21 VAL A 10 15.635 -8.251 23.840 1.00 0.00 H new ATOM 0 HG22 VAL A 10 17.203 -9.083 23.975 1.00 0.00 H new ATOM 0 HG23 VAL A 10 17.076 -7.353 24.373 1.00 0.00 H new ATOM 53 N GLU A 11 20.051 -7.120 20.262 1.00 0.00 N ATOM 54 CA GLU A 11 20.403 -6.519 18.944 1.00 0.00 C ATOM 55 C GLU A 11 20.773 -7.631 17.960 1.00 0.00 C ATOM 56 O GLU A 11 20.815 -8.793 18.307 1.00 0.00 O ATOM 57 CB GLU A 11 21.594 -5.574 19.118 1.00 0.00 C ATOM 58 CG GLU A 11 22.815 -6.370 19.584 1.00 0.00 C ATOM 59 CD GLU A 11 23.820 -6.486 18.437 1.00 0.00 C ATOM 60 OE1 GLU A 11 24.630 -5.586 18.293 1.00 0.00 O ATOM 61 OE2 GLU A 11 23.762 -7.473 17.722 1.00 0.00 O ATOM 0 H GLU A 11 20.812 -7.609 20.733 1.00 0.00 H new ATOM 0 HA GLU A 11 19.550 -5.961 18.558 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.813 -5.071 18.176 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.353 -4.799 19.845 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.279 -5.877 20.439 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.510 -7.363 19.915 1.00 0.00 H new ATOM 68 N GLU A 12 21.043 -7.280 16.731 1.00 0.00 N ATOM 69 CA GLU A 12 21.410 -8.317 15.726 1.00 0.00 C ATOM 70 C GLU A 12 22.364 -7.710 14.695 1.00 0.00 C ATOM 71 O GLU A 12 22.596 -6.517 14.676 1.00 0.00 O ATOM 72 CB GLU A 12 20.147 -8.814 15.019 1.00 0.00 C ATOM 73 CG GLU A 12 19.586 -10.025 15.768 1.00 0.00 C ATOM 74 CD GLU A 12 19.181 -11.104 14.763 1.00 0.00 C ATOM 75 OE1 GLU A 12 19.952 -11.357 13.852 1.00 0.00 O ATOM 76 OE2 GLU A 12 18.106 -11.659 14.920 1.00 0.00 O ATOM 0 H GLU A 12 21.025 -6.322 16.381 1.00 0.00 H new ATOM 0 HA GLU A 12 21.898 -9.153 16.228 1.00 0.00 H new ATOM 0 HB2 GLU A 12 19.402 -8.019 14.981 1.00 0.00 H new ATOM 0 HB3 GLU A 12 20.377 -9.085 13.989 1.00 0.00 H new ATOM 0 HG2 GLU A 12 20.333 -10.418 16.458 1.00 0.00 H new ATOM 0 HG3 GLU A 12 18.724 -9.729 16.366 1.00 0.00 H new ATOM 83 N VAL A 13 22.920 -8.521 13.837 1.00 0.00 N ATOM 84 CA VAL A 13 23.858 -7.989 12.808 1.00 0.00 C ATOM 85 C VAL A 13 23.135 -7.883 11.464 1.00 0.00 C ATOM 86 O VAL A 13 23.555 -8.451 10.476 1.00 0.00 O ATOM 87 CB VAL A 13 25.054 -8.934 12.671 1.00 0.00 C ATOM 88 CG1 VAL A 13 25.709 -9.132 14.039 1.00 0.00 C ATOM 89 CG2 VAL A 13 24.575 -10.286 12.136 1.00 0.00 C ATOM 0 H VAL A 13 22.765 -9.529 13.804 1.00 0.00 H new ATOM 0 HA VAL A 13 24.207 -7.002 13.111 1.00 0.00 H new ATOM 0 HB VAL A 13 25.779 -8.504 11.980 1.00 0.00 H new ATOM 0 HG11 VAL A 13 26.561 -9.805 13.941 1.00 0.00 H new ATOM 0 HG12 VAL A 13 26.049 -8.170 14.422 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.984 -9.562 14.730 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.426 -10.960 12.038 1.00 0.00 H new ATOM 0 HG22 VAL A 13 23.850 -10.715 12.828 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.108 -10.147 11.161 1.00 0.00 H new ATOM 99 N LEU A 14 22.050 -7.159 11.419 1.00 0.00 N ATOM 100 CA LEU A 14 21.300 -7.018 10.140 1.00 0.00 C ATOM 101 C LEU A 14 20.305 -5.861 10.257 1.00 0.00 C ATOM 102 O LEU A 14 19.263 -5.862 9.633 1.00 0.00 O ATOM 103 CB LEU A 14 20.544 -8.315 9.846 1.00 0.00 C ATOM 104 CG LEU A 14 20.200 -8.380 8.357 1.00 0.00 C ATOM 105 CD1 LEU A 14 21.371 -8.994 7.588 1.00 0.00 C ATOM 106 CD2 LEU A 14 18.953 -9.245 8.159 1.00 0.00 C ATOM 0 H LEU A 14 21.651 -6.659 12.213 1.00 0.00 H new ATOM 0 HA LEU A 14 21.999 -6.814 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.152 -9.175 10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.633 -8.360 10.443 1.00 0.00 H new ATOM 0 HG LEU A 14 20.009 -7.373 7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.125 -9.040 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.260 -8.380 7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.563 -10.000 7.960 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.707 -9.292 7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.145 -10.251 8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.117 -8.809 8.706 1.00 0.00 H new ATOM 118 N GLU A 15 20.618 -4.875 11.053 1.00 0.00 N ATOM 119 CA GLU A 15 19.688 -3.721 11.208 1.00 0.00 C ATOM 120 C GLU A 15 20.497 -2.438 11.405 1.00 0.00 C ATOM 121 O GLU A 15 21.713 -2.448 11.380 1.00 0.00 O ATOM 122 CB GLU A 15 18.791 -3.950 12.426 1.00 0.00 C ATOM 123 CG GLU A 15 19.658 -4.178 13.665 1.00 0.00 C ATOM 124 CD GLU A 15 19.616 -2.933 14.554 1.00 0.00 C ATOM 125 OE1 GLU A 15 20.300 -1.976 14.231 1.00 0.00 O ATOM 126 OE2 GLU A 15 18.903 -2.959 15.543 1.00 0.00 O ATOM 0 H GLU A 15 21.476 -4.819 11.602 1.00 0.00 H new ATOM 0 HA GLU A 15 19.071 -3.628 10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.140 -3.089 12.578 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.145 -4.812 12.258 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.299 -5.045 14.219 1.00 0.00 H new ATOM 0 HG3 GLU A 15 20.685 -4.392 13.369 1.00 0.00 H new ATOM 133 N GLU A 16 19.833 -1.331 11.600 1.00 0.00 N ATOM 134 CA GLU A 16 20.564 -0.048 11.799 1.00 0.00 C ATOM 135 C GLU A 16 19.824 0.806 12.829 1.00 0.00 C ATOM 136 O GLU A 16 18.866 0.371 13.438 1.00 0.00 O ATOM 137 CB GLU A 16 20.638 0.707 10.469 1.00 0.00 C ATOM 138 CG GLU A 16 22.013 0.490 9.834 1.00 0.00 C ATOM 139 CD GLU A 16 23.037 1.405 10.508 1.00 0.00 C ATOM 140 OE1 GLU A 16 22.868 2.611 10.428 1.00 0.00 O ATOM 141 OE2 GLU A 16 23.974 0.885 11.091 1.00 0.00 O ATOM 0 H GLU A 16 18.816 -1.260 11.630 1.00 0.00 H new ATOM 0 HA GLU A 16 21.573 -0.255 12.157 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.856 0.357 9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 16 20.465 1.771 10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 16 22.314 -0.552 9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 16 21.969 0.701 8.765 1.00 0.00 H new ATOM 148 N GLU A 17 20.259 2.019 13.030 1.00 0.00 N ATOM 149 CA GLU A 17 19.579 2.899 14.022 1.00 0.00 C ATOM 150 C GLU A 17 18.093 3.008 13.672 1.00 0.00 C ATOM 151 O GLU A 17 17.263 2.317 14.228 1.00 0.00 O ATOM 152 CB GLU A 17 20.213 4.291 13.989 1.00 0.00 C ATOM 153 CG GLU A 17 21.488 4.292 14.836 1.00 0.00 C ATOM 154 CD GLU A 17 22.390 5.449 14.403 1.00 0.00 C ATOM 155 OE1 GLU A 17 21.937 6.580 14.461 1.00 0.00 O ATOM 156 OE2 GLU A 17 23.517 5.183 14.021 1.00 0.00 O ATOM 0 H GLU A 17 21.055 2.439 12.551 1.00 0.00 H new ATOM 0 HA GLU A 17 19.688 2.474 15.020 1.00 0.00 H new ATOM 0 HB2 GLU A 17 20.446 4.572 12.962 1.00 0.00 H new ATOM 0 HB3 GLU A 17 19.510 5.032 14.370 1.00 0.00 H new ATOM 0 HG2 GLU A 17 21.235 4.390 15.892 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.014 3.344 14.721 1.00 0.00 H new ATOM 163 N GLU A 18 17.752 3.872 12.757 1.00 0.00 N ATOM 164 CA GLU A 18 16.319 4.025 12.373 1.00 0.00 C ATOM 165 C GLU A 18 16.186 3.923 10.852 1.00 0.00 C ATOM 166 O GLU A 18 15.301 3.267 10.340 1.00 0.00 O ATOM 167 CB GLU A 18 15.809 5.389 12.840 1.00 0.00 C ATOM 168 CG GLU A 18 14.783 5.195 13.958 1.00 0.00 C ATOM 169 CD GLU A 18 13.679 6.245 13.827 1.00 0.00 C ATOM 170 OE1 GLU A 18 13.712 6.994 12.865 1.00 0.00 O ATOM 171 OE2 GLU A 18 12.817 6.282 14.691 1.00 0.00 O ATOM 0 H GLU A 18 18.402 4.479 12.258 1.00 0.00 H new ATOM 0 HA GLU A 18 15.730 3.237 12.843 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.640 5.997 13.196 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.357 5.925 12.006 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.355 4.194 13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.268 5.282 14.930 1.00 0.00 H new ATOM 178 N GLU A 19 17.059 4.567 10.127 1.00 0.00 N ATOM 179 CA GLU A 19 16.982 4.506 8.640 1.00 0.00 C ATOM 180 C GLU A 19 15.533 4.716 8.197 1.00 0.00 C ATOM 181 O GLU A 19 15.028 4.015 7.343 1.00 0.00 O ATOM 182 CB GLU A 19 17.470 3.137 8.160 1.00 0.00 C ATOM 183 CG GLU A 19 18.922 3.248 7.692 1.00 0.00 C ATOM 184 CD GLU A 19 18.954 3.677 6.225 1.00 0.00 C ATOM 185 OE1 GLU A 19 18.169 4.538 5.861 1.00 0.00 O ATOM 186 OE2 GLU A 19 19.765 3.138 5.488 1.00 0.00 O ATOM 0 H GLU A 19 17.822 5.132 10.500 1.00 0.00 H new ATOM 0 HA GLU A 19 17.610 5.286 8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.391 2.408 8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.840 2.780 7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 19 19.458 3.972 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 19 19.428 2.290 7.813 1.00 0.00 H new ATOM 193 N GLU A 20 14.860 5.676 8.770 1.00 0.00 N ATOM 194 CA GLU A 20 13.445 5.928 8.380 1.00 0.00 C ATOM 195 C GLU A 20 13.355 7.243 7.603 1.00 0.00 C ATOM 196 O GLU A 20 14.169 8.131 7.769 1.00 0.00 O ATOM 197 CB GLU A 20 12.577 6.019 9.638 1.00 0.00 C ATOM 198 CG GLU A 20 11.196 5.427 9.349 1.00 0.00 C ATOM 199 CD GLU A 20 10.242 5.775 10.493 1.00 0.00 C ATOM 200 OE1 GLU A 20 10.644 5.636 11.636 1.00 0.00 O ATOM 201 OE2 GLU A 20 9.125 6.174 10.206 1.00 0.00 O ATOM 0 H GLU A 20 15.229 6.296 9.491 1.00 0.00 H new ATOM 0 HA GLU A 20 13.091 5.110 7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.051 5.481 10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.480 7.058 9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.810 5.819 8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.268 4.345 9.238 1.00 0.00 H new ATOM 208 N TYR A 21 12.373 7.375 6.754 1.00 0.00 N ATOM 209 CA TYR A 21 12.231 8.631 5.965 1.00 0.00 C ATOM 210 C TYR A 21 10.746 8.945 5.771 1.00 0.00 C ATOM 211 O TYR A 21 9.918 8.601 6.590 1.00 0.00 O ATOM 212 CB TYR A 21 12.898 8.453 4.600 1.00 0.00 C ATOM 213 CG TYR A 21 13.730 9.673 4.281 1.00 0.00 C ATOM 214 CD1 TYR A 21 14.862 9.969 5.051 1.00 0.00 C ATOM 215 CD2 TYR A 21 13.370 10.507 3.214 1.00 0.00 C ATOM 216 CE1 TYR A 21 15.635 11.101 4.756 1.00 0.00 C ATOM 217 CE2 TYR A 21 14.142 11.639 2.918 1.00 0.00 C ATOM 218 CZ TYR A 21 15.275 11.935 3.689 1.00 0.00 C ATOM 219 OH TYR A 21 16.035 13.049 3.398 1.00 0.00 O ATOM 0 H TYR A 21 11.662 6.666 6.573 1.00 0.00 H new ATOM 0 HA TYR A 21 12.709 9.452 6.498 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.526 7.562 4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 21 12.141 8.305 3.830 1.00 0.00 H new ATOM 0 HD1 TYR A 21 15.140 9.325 5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 21 12.498 10.278 2.620 1.00 0.00 H new ATOM 0 HE1 TYR A 21 16.507 11.330 5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.864 12.283 2.097 1.00 0.00 H new ATOM 0 HH TYR A 21 15.648 13.517 2.629 1.00 0.00 H new ATOM 229 N VAL A 22 10.404 9.594 4.692 1.00 0.00 N ATOM 230 CA VAL A 22 8.972 9.927 4.447 1.00 0.00 C ATOM 231 C VAL A 22 8.421 9.029 3.337 1.00 0.00 C ATOM 232 O VAL A 22 9.114 8.690 2.398 1.00 0.00 O ATOM 233 CB VAL A 22 8.854 11.393 4.021 1.00 0.00 C ATOM 234 CG1 VAL A 22 7.385 11.819 4.062 1.00 0.00 C ATOM 235 CG2 VAL A 22 9.665 12.268 4.979 1.00 0.00 C ATOM 0 H VAL A 22 11.053 9.908 3.970 1.00 0.00 H new ATOM 0 HA VAL A 22 8.401 9.767 5.362 1.00 0.00 H new ATOM 0 HB VAL A 22 9.238 11.510 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.300 12.863 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.806 11.195 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.001 11.703 5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.582 13.312 4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.280 12.152 5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.712 11.965 4.951 1.00 0.00 H new ATOM 245 N VAL A 23 7.180 8.642 3.435 1.00 0.00 N ATOM 246 CA VAL A 23 6.588 7.770 2.387 1.00 0.00 C ATOM 247 C VAL A 23 5.584 8.580 1.570 1.00 0.00 C ATOM 248 O VAL A 23 5.096 9.604 2.008 1.00 0.00 O ATOM 249 CB VAL A 23 5.874 6.590 3.048 1.00 0.00 C ATOM 250 CG1 VAL A 23 4.805 7.113 4.010 1.00 0.00 C ATOM 251 CG2 VAL A 23 5.212 5.728 1.970 1.00 0.00 C ATOM 0 H VAL A 23 6.551 8.893 4.197 1.00 0.00 H new ATOM 0 HA VAL A 23 7.376 7.395 1.734 1.00 0.00 H new ATOM 0 HB VAL A 23 6.597 5.991 3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.296 6.272 4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.275 7.728 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.081 7.712 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.703 4.886 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.489 6.328 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.973 5.355 1.284 1.00 0.00 H new ATOM 261 N GLU A 24 5.271 8.138 0.387 1.00 0.00 N ATOM 262 CA GLU A 24 4.300 8.892 -0.451 1.00 0.00 C ATOM 263 C GLU A 24 2.888 8.356 -0.204 1.00 0.00 C ATOM 264 O GLU A 24 1.955 9.109 -0.013 1.00 0.00 O ATOM 265 CB GLU A 24 4.659 8.723 -1.929 1.00 0.00 C ATOM 266 CG GLU A 24 4.993 10.088 -2.533 1.00 0.00 C ATOM 267 CD GLU A 24 4.381 10.192 -3.930 1.00 0.00 C ATOM 268 OE1 GLU A 24 3.930 9.177 -4.435 1.00 0.00 O ATOM 269 OE2 GLU A 24 4.374 11.285 -4.472 1.00 0.00 O ATOM 0 H GLU A 24 5.644 7.288 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 24 4.339 9.949 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.510 8.050 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.826 8.270 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.607 10.884 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.074 10.219 -2.587 1.00 0.00 H new ATOM 276 N LYS A 25 2.728 7.061 -0.210 1.00 0.00 N ATOM 277 CA LYS A 25 1.383 6.470 0.020 1.00 0.00 C ATOM 278 C LYS A 25 1.392 5.030 -0.485 1.00 0.00 C ATOM 279 O LYS A 25 2.432 4.469 -0.767 1.00 0.00 O ATOM 280 CB LYS A 25 0.328 7.276 -0.743 1.00 0.00 C ATOM 281 CG LYS A 25 0.884 7.681 -2.111 1.00 0.00 C ATOM 282 CD LYS A 25 -0.195 7.483 -3.179 1.00 0.00 C ATOM 283 CE LYS A 25 0.407 7.733 -4.565 1.00 0.00 C ATOM 284 NZ LYS A 25 -0.688 8.009 -5.538 1.00 0.00 N ATOM 0 H LYS A 25 3.476 6.385 -0.365 1.00 0.00 H new ATOM 0 HA LYS A 25 1.144 6.491 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.578 6.683 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.052 8.164 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.205 8.723 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.762 7.082 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.597 6.471 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.026 8.166 -3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.096 8.577 -4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.983 6.865 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.281 8.179 -6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.329 7.191 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.219 8.850 -5.234 1.00 0.00 H new ATOM 298 N VAL A 26 0.247 4.423 -0.608 1.00 0.00 N ATOM 299 CA VAL A 26 0.211 3.023 -1.100 1.00 0.00 C ATOM 300 C VAL A 26 0.039 3.025 -2.621 1.00 0.00 C ATOM 301 O VAL A 26 -0.396 3.997 -3.205 1.00 0.00 O ATOM 302 CB VAL A 26 -0.958 2.286 -0.453 1.00 0.00 C ATOM 303 CG1 VAL A 26 -1.153 0.947 -1.155 1.00 0.00 C ATOM 304 CG2 VAL A 26 -0.654 2.041 1.026 1.00 0.00 C ATOM 0 H VAL A 26 -0.661 4.834 -0.390 1.00 0.00 H new ATOM 0 HA VAL A 26 1.142 2.520 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.863 2.887 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.987 0.415 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.366 1.117 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.246 0.351 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.490 1.515 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.249 1.438 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.505 2.996 1.530 1.00 0.00 H new ATOM 314 N LEU A 27 0.382 1.944 -3.268 1.00 0.00 N ATOM 315 CA LEU A 27 0.242 1.887 -4.750 1.00 0.00 C ATOM 316 C LEU A 27 -0.155 0.472 -5.173 1.00 0.00 C ATOM 317 O LEU A 27 -0.956 0.282 -6.066 1.00 0.00 O ATOM 318 CB LEU A 27 1.575 2.258 -5.404 1.00 0.00 C ATOM 319 CG LEU A 27 1.679 3.779 -5.525 1.00 0.00 C ATOM 320 CD1 LEU A 27 2.469 4.334 -4.339 1.00 0.00 C ATOM 321 CD2 LEU A 27 2.398 4.137 -6.828 1.00 0.00 C ATOM 0 H LEU A 27 0.753 1.099 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.528 2.590 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.403 1.873 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.649 1.798 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 27 0.679 4.212 -5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.543 5.418 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.959 4.078 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.470 3.902 -4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.473 5.221 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.398 3.703 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.836 3.742 -7.674 1.00 0.00 H new ATOM 333 N ASP A 28 0.399 -0.524 -4.537 1.00 0.00 N ATOM 334 CA ASP A 28 0.053 -1.927 -4.902 1.00 0.00 C ATOM 335 C ASP A 28 -0.174 -2.740 -3.627 1.00 0.00 C ATOM 336 O ASP A 28 -0.191 -2.207 -2.535 1.00 0.00 O ATOM 337 CB ASP A 28 1.200 -2.545 -5.705 1.00 0.00 C ATOM 338 CG ASP A 28 0.652 -3.644 -6.617 1.00 0.00 C ATOM 339 OD1 ASP A 28 -0.076 -3.314 -7.539 1.00 0.00 O ATOM 340 OD2 ASP A 28 0.968 -4.798 -6.376 1.00 0.00 O ATOM 0 H ASP A 28 1.076 -0.427 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.855 -1.933 -5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.696 -1.778 -6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.949 -2.958 -5.030 1.00 0.00 H new ATOM 345 N ARG A 29 -0.349 -4.028 -3.753 1.00 0.00 N ATOM 346 CA ARG A 29 -0.575 -4.868 -2.544 1.00 0.00 C ATOM 347 C ARG A 29 -0.556 -6.347 -2.938 1.00 0.00 C ATOM 348 O ARG A 29 -1.200 -6.756 -3.884 1.00 0.00 O ATOM 349 CB ARG A 29 -1.931 -4.518 -1.928 1.00 0.00 C ATOM 350 CG ARG A 29 -2.311 -5.575 -0.888 1.00 0.00 C ATOM 351 CD ARG A 29 -3.148 -6.669 -1.554 1.00 0.00 C ATOM 352 NE ARG A 29 -4.291 -7.029 -0.669 1.00 0.00 N ATOM 353 CZ ARG A 29 -5.296 -7.709 -1.146 1.00 0.00 C ATOM 354 NH1 ARG A 29 -5.144 -8.968 -1.456 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.455 -7.132 -1.313 1.00 0.00 N ATOM 0 H ARG A 29 -0.345 -4.533 -4.639 1.00 0.00 H new ATOM 0 HA ARG A 29 0.214 -4.679 -1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.887 -3.534 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.693 -4.468 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.412 -6.007 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.874 -5.115 -0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.517 -6.322 -2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.532 -7.547 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.287 -6.743 0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.239 -9.420 -1.325 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.930 -9.500 -1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.575 -6.149 -1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.241 -7.665 -1.686 1.00 0.00 H new ATOM 369 N ARG A 30 0.174 -7.153 -2.217 1.00 0.00 N ATOM 370 CA ARG A 30 0.231 -8.604 -2.547 1.00 0.00 C ATOM 371 C ARG A 30 -0.146 -9.421 -1.308 1.00 0.00 C ATOM 372 O ARG A 30 -0.705 -8.904 -0.361 1.00 0.00 O ATOM 373 CB ARG A 30 1.648 -8.974 -2.993 1.00 0.00 C ATOM 374 CG ARG A 30 2.649 -8.575 -1.906 1.00 0.00 C ATOM 375 CD ARG A 30 4.069 -8.653 -2.468 1.00 0.00 C ATOM 376 NE ARG A 30 4.968 -9.289 -1.463 1.00 0.00 N ATOM 377 CZ ARG A 30 5.177 -10.577 -1.497 1.00 0.00 C ATOM 378 NH1 ARG A 30 4.261 -11.374 -1.976 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.302 -11.068 -1.053 1.00 0.00 N ATOM 0 H ARG A 30 0.734 -6.869 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.469 -8.821 -3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.712 -10.045 -3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.890 -8.468 -3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.439 -7.564 -1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.550 -9.236 -1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.074 -9.230 -3.393 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.430 -7.654 -2.713 1.00 0.00 H new ATOM 0 HE ARG A 30 5.420 -8.718 -0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.382 -10.990 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.424 -12.381 -2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.018 -10.445 -0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.465 -12.075 -1.080 1.00 0.00 H new ATOM 393 N VAL A 31 0.150 -10.692 -1.306 1.00 0.00 N ATOM 394 CA VAL A 31 -0.197 -11.531 -0.125 1.00 0.00 C ATOM 395 C VAL A 31 0.744 -12.735 -0.053 1.00 0.00 C ATOM 396 O VAL A 31 0.869 -13.496 -0.992 1.00 0.00 O ATOM 397 CB VAL A 31 -1.640 -12.020 -0.256 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.923 -13.077 0.813 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.595 -10.840 -0.068 1.00 0.00 C ATOM 0 H VAL A 31 0.616 -11.184 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.093 -10.937 0.783 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.786 -12.456 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.952 -13.424 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.243 -13.918 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.777 -12.643 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.624 -11.187 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.446 -10.406 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.396 -10.086 -0.829 1.00 0.00 H new ATOM 409 N VAL A 32 1.404 -12.915 1.059 1.00 0.00 N ATOM 410 CA VAL A 32 2.333 -14.071 1.196 1.00 0.00 C ATOM 411 C VAL A 32 1.590 -15.243 1.837 1.00 0.00 C ATOM 412 O VAL A 32 2.157 -16.017 2.583 1.00 0.00 O ATOM 413 CB VAL A 32 3.516 -13.670 2.082 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.593 -14.754 2.015 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.096 -12.344 1.586 1.00 0.00 C ATOM 0 H VAL A 32 1.339 -12.311 1.878 1.00 0.00 H new ATOM 0 HA VAL A 32 2.699 -14.366 0.213 1.00 0.00 H new ATOM 0 HB VAL A 32 3.178 -13.557 3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.435 -14.469 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.180 -15.699 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.932 -14.867 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.938 -12.057 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.435 -12.458 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.329 -11.571 1.632 1.00 0.00 H new ATOM 425 N LYS A 33 0.323 -15.378 1.553 1.00 0.00 N ATOM 426 CA LYS A 33 -0.459 -16.498 2.147 1.00 0.00 C ATOM 427 C LYS A 33 -0.582 -16.290 3.658 1.00 0.00 C ATOM 428 O LYS A 33 -0.278 -17.167 4.442 1.00 0.00 O ATOM 429 CB LYS A 33 0.256 -17.823 1.871 1.00 0.00 C ATOM 430 CG LYS A 33 -0.476 -18.576 0.757 1.00 0.00 C ATOM 431 CD LYS A 33 0.214 -19.919 0.512 1.00 0.00 C ATOM 432 CE LYS A 33 0.517 -20.073 -0.979 1.00 0.00 C ATOM 433 NZ LYS A 33 0.806 -21.503 -1.283 1.00 0.00 N ATOM 0 H LYS A 33 -0.204 -14.761 0.935 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.454 -16.522 1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.290 -17.637 1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.284 -18.429 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.518 -18.735 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.477 -17.983 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.137 -19.976 1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.425 -20.735 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.331 -19.729 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.370 -19.452 -1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.012 -21.608 -2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.628 -21.817 -0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.020 -22.084 -1.036 1.00 0.00 H new ATOM 447 N GLY A 34 -1.027 -15.135 4.071 1.00 0.00 N ATOM 448 CA GLY A 34 -1.171 -14.872 5.532 1.00 0.00 C ATOM 449 C GLY A 34 -0.352 -13.638 5.919 1.00 0.00 C ATOM 450 O GLY A 34 -0.084 -13.401 7.080 1.00 0.00 O ATOM 0 H GLY A 34 -1.297 -14.363 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.221 -14.716 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.833 -15.738 6.102 1.00 0.00 H new ATOM 454 N LYS A 35 0.047 -12.851 4.959 1.00 0.00 N ATOM 455 CA LYS A 35 0.847 -11.634 5.279 1.00 0.00 C ATOM 456 C LYS A 35 0.176 -10.404 4.666 1.00 0.00 C ATOM 457 O LYS A 35 -0.116 -9.440 5.345 1.00 0.00 O ATOM 458 CB LYS A 35 2.257 -11.785 4.706 1.00 0.00 C ATOM 459 CG LYS A 35 3.015 -12.858 5.491 1.00 0.00 C ATOM 460 CD LYS A 35 4.500 -12.498 5.546 1.00 0.00 C ATOM 461 CE LYS A 35 4.723 -11.406 6.594 1.00 0.00 C ATOM 462 NZ LYS A 35 5.153 -12.030 7.878 1.00 0.00 N ATOM 0 H LYS A 35 -0.145 -12.997 3.968 1.00 0.00 H new ATOM 0 HA LYS A 35 0.905 -11.513 6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.205 -12.059 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.788 -10.835 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.612 -12.938 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.883 -13.831 5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.090 -13.380 5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.838 -12.153 4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.481 -10.703 6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.805 -10.837 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.305 -11.288 8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.416 -12.684 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.039 -12.554 7.730 1.00 0.00 H new ATOM 476 N VAL A 36 -0.070 -10.431 3.386 1.00 0.00 N ATOM 477 CA VAL A 36 -0.720 -9.264 2.727 1.00 0.00 C ATOM 478 C VAL A 36 0.165 -8.027 2.893 1.00 0.00 C ATOM 479 O VAL A 36 0.046 -7.289 3.851 1.00 0.00 O ATOM 480 CB VAL A 36 -2.081 -9.008 3.376 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.660 -7.693 2.851 1.00 0.00 C ATOM 482 CG2 VAL A 36 -3.034 -10.155 3.032 1.00 0.00 C ATOM 0 H VAL A 36 0.151 -11.211 2.767 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.856 -9.473 1.666 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.960 -8.946 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.630 -7.512 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.983 -6.874 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.780 -7.755 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.004 -9.973 3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.153 -10.217 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.624 -11.093 3.406 1.00 0.00 H new ATOM 492 N GLU A 37 1.055 -7.794 1.966 1.00 0.00 N ATOM 493 CA GLU A 37 1.947 -6.606 2.071 1.00 0.00 C ATOM 494 C GLU A 37 1.374 -5.462 1.231 1.00 0.00 C ATOM 495 O GLU A 37 0.302 -5.569 0.669 1.00 0.00 O ATOM 496 CB GLU A 37 3.341 -6.970 1.554 1.00 0.00 C ATOM 497 CG GLU A 37 4.132 -7.665 2.665 1.00 0.00 C ATOM 498 CD GLU A 37 5.583 -7.853 2.219 1.00 0.00 C ATOM 499 OE1 GLU A 37 6.357 -6.924 2.383 1.00 0.00 O ATOM 500 OE2 GLU A 37 5.896 -8.922 1.722 1.00 0.00 O ATOM 0 H GLU A 37 1.202 -8.376 1.141 1.00 0.00 H new ATOM 0 HA GLU A 37 2.015 -6.292 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.259 -7.625 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.865 -6.072 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.095 -7.071 3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.683 -8.631 2.895 1.00 0.00 H new ATOM 507 N TYR A 38 2.079 -4.367 1.142 1.00 0.00 N ATOM 508 CA TYR A 38 1.571 -3.219 0.338 1.00 0.00 C ATOM 509 C TYR A 38 2.750 -2.435 -0.242 1.00 0.00 C ATOM 510 O TYR A 38 3.614 -1.971 0.477 1.00 0.00 O ATOM 511 CB TYR A 38 0.743 -2.295 1.235 1.00 0.00 C ATOM 512 CG TYR A 38 -0.607 -2.919 1.495 1.00 0.00 C ATOM 513 CD1 TYR A 38 -0.734 -3.948 2.438 1.00 0.00 C ATOM 514 CD2 TYR A 38 -1.734 -2.466 0.796 1.00 0.00 C ATOM 515 CE1 TYR A 38 -1.987 -4.525 2.681 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.988 -3.044 1.040 1.00 0.00 C ATOM 517 CZ TYR A 38 -3.114 -4.073 1.982 1.00 0.00 C ATOM 518 OH TYR A 38 -4.348 -4.642 2.222 1.00 0.00 O ATOM 0 H TYR A 38 2.983 -4.218 1.590 1.00 0.00 H new ATOM 0 HA TYR A 38 0.950 -3.596 -0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.263 -2.124 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.620 -1.323 0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.134 -4.296 2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.637 -1.672 0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.084 -5.318 3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.857 -2.696 0.501 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.022 -4.212 1.655 1.00 0.00 H new ATOM 528 N LEU A 39 2.792 -2.279 -1.536 1.00 0.00 N ATOM 529 CA LEU A 39 3.913 -1.520 -2.160 1.00 0.00 C ATOM 530 C LEU A 39 3.694 -0.023 -1.934 1.00 0.00 C ATOM 531 O LEU A 39 2.630 0.502 -2.195 1.00 0.00 O ATOM 532 CB LEU A 39 3.951 -1.810 -3.663 1.00 0.00 C ATOM 533 CG LEU A 39 4.987 -0.904 -4.330 1.00 0.00 C ATOM 534 CD1 LEU A 39 5.746 -1.696 -5.395 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.274 0.281 -4.990 1.00 0.00 C ATOM 0 H LEU A 39 2.099 -2.644 -2.189 1.00 0.00 H new ATOM 0 HA LEU A 39 4.858 -1.824 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.202 -2.857 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.968 -1.641 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 39 5.688 -0.538 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.485 -1.051 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.250 -2.542 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.045 -2.060 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.010 0.929 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.575 -0.087 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.730 0.846 -4.233 1.00 0.00 H new ATOM 547 N LEU A 40 4.686 0.669 -1.444 1.00 0.00 N ATOM 548 CA LEU A 40 4.519 2.129 -1.199 1.00 0.00 C ATOM 549 C LEU A 40 5.668 2.901 -1.852 1.00 0.00 C ATOM 550 O LEU A 40 6.730 2.367 -2.099 1.00 0.00 O ATOM 551 CB LEU A 40 4.520 2.395 0.308 1.00 0.00 C ATOM 552 CG LEU A 40 3.327 1.687 0.953 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.829 0.686 1.993 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.429 2.722 1.635 1.00 0.00 C ATOM 0 H LEU A 40 5.601 0.288 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 40 3.574 2.459 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.450 2.038 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.467 3.467 0.499 1.00 0.00 H new ATOM 0 HG LEU A 40 2.759 1.160 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.979 0.182 2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.470 -0.051 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.397 1.212 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.578 2.219 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.998 3.248 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.071 3.437 0.894 1.00 0.00 H new ATOM 566 N LYS A 41 5.458 4.160 -2.127 1.00 0.00 N ATOM 567 CA LYS A 41 6.529 4.981 -2.759 1.00 0.00 C ATOM 568 C LYS A 41 7.328 5.693 -1.667 1.00 0.00 C ATOM 569 O LYS A 41 7.210 5.384 -0.497 1.00 0.00 O ATOM 570 CB LYS A 41 5.890 6.022 -3.680 1.00 0.00 C ATOM 571 CG LYS A 41 6.268 5.722 -5.131 1.00 0.00 C ATOM 572 CD LYS A 41 5.039 5.897 -6.025 1.00 0.00 C ATOM 573 CE LYS A 41 4.871 7.376 -6.379 1.00 0.00 C ATOM 574 NZ LYS A 41 3.428 7.674 -6.600 1.00 0.00 N ATOM 0 H LYS A 41 4.587 4.657 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 41 7.192 4.338 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.806 6.008 -3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.227 7.022 -3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.065 6.390 -5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.651 4.705 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.150 5.305 -6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.149 5.531 -5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.263 8.000 -5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.444 7.614 -7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.212 8.628 -6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.215 7.626 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.848 6.976 -6.092 1.00 0.00 H new ATOM 588 N TRP A 42 8.138 6.644 -2.037 1.00 0.00 N ATOM 589 CA TRP A 42 8.941 7.373 -1.018 1.00 0.00 C ATOM 590 C TRP A 42 9.289 8.766 -1.545 1.00 0.00 C ATOM 591 O TRP A 42 9.796 8.916 -2.639 1.00 0.00 O ATOM 592 CB TRP A 42 10.226 6.595 -0.734 1.00 0.00 C ATOM 593 CG TRP A 42 9.880 5.267 -0.141 1.00 0.00 C ATOM 594 CD1 TRP A 42 9.655 4.133 -0.846 1.00 0.00 C ATOM 595 CD2 TRP A 42 9.716 4.915 1.264 1.00 0.00 C ATOM 596 NE1 TRP A 42 9.365 3.108 0.037 1.00 0.00 N ATOM 597 CE2 TRP A 42 9.391 3.540 1.349 1.00 0.00 C ATOM 598 CE3 TRP A 42 9.818 5.648 2.461 1.00 0.00 C ATOM 599 CZ2 TRP A 42 9.174 2.916 2.577 1.00 0.00 C ATOM 600 CZ3 TRP A 42 9.600 5.024 3.701 1.00 0.00 C ATOM 601 CH2 TRP A 42 9.279 3.659 3.758 1.00 0.00 C ATOM 0 H TRP A 42 8.279 6.948 -3.000 1.00 0.00 H new ATOM 0 HA TRP A 42 8.365 7.469 -0.098 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.793 6.458 -1.655 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.861 7.157 -0.049 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.695 4.043 -1.922 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.157 2.150 -0.246 1.00 0.00 H new ATOM 0 HE3 TRP A 42 10.066 6.699 2.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.926 1.866 2.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 9.680 5.597 4.613 1.00 0.00 H new ATOM 0 HH2 TRP A 42 9.113 3.182 4.713 1.00 0.00 H new ATOM 612 N LYS A 43 9.017 9.785 -0.773 1.00 0.00 N ATOM 613 CA LYS A 43 9.327 11.173 -1.225 1.00 0.00 C ATOM 614 C LYS A 43 8.944 11.329 -2.699 1.00 0.00 C ATOM 615 O LYS A 43 8.047 10.675 -3.190 1.00 0.00 O ATOM 616 CB LYS A 43 10.823 11.450 -1.048 1.00 0.00 C ATOM 617 CG LYS A 43 11.627 10.611 -2.043 1.00 0.00 C ATOM 618 CD LYS A 43 13.052 11.162 -2.140 1.00 0.00 C ATOM 619 CE LYS A 43 14.016 10.214 -1.423 1.00 0.00 C ATOM 620 NZ LYS A 43 13.978 10.483 0.043 1.00 0.00 N ATOM 0 H LYS A 43 8.593 9.716 0.152 1.00 0.00 H new ATOM 0 HA LYS A 43 8.757 11.884 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.027 12.509 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.128 11.213 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.649 9.569 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.150 10.633 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.341 11.270 -3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.101 12.155 -1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.739 9.178 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.028 10.352 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.941 10.426 0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.592 11.434 0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.374 9.777 0.510 1.00 0.00 H new ATOM 634 N GLY A 44 9.618 12.193 -3.408 1.00 0.00 N ATOM 635 CA GLY A 44 9.290 12.391 -4.848 1.00 0.00 C ATOM 636 C GLY A 44 9.923 11.273 -5.677 1.00 0.00 C ATOM 637 O GLY A 44 10.937 11.462 -6.319 1.00 0.00 O ATOM 0 H GLY A 44 10.381 12.770 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.209 12.394 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.658 13.360 -5.185 1.00 0.00 H new ATOM 641 N PHE A 45 9.334 10.108 -5.670 1.00 0.00 N ATOM 642 CA PHE A 45 9.906 8.980 -6.458 1.00 0.00 C ATOM 643 C PHE A 45 8.789 8.009 -6.850 1.00 0.00 C ATOM 644 O PHE A 45 7.639 8.197 -6.506 1.00 0.00 O ATOM 645 CB PHE A 45 10.949 8.245 -5.613 1.00 0.00 C ATOM 646 CG PHE A 45 12.291 8.919 -5.773 1.00 0.00 C ATOM 647 CD1 PHE A 45 12.746 9.279 -7.048 1.00 0.00 C ATOM 648 CD2 PHE A 45 13.081 9.183 -4.646 1.00 0.00 C ATOM 649 CE1 PHE A 45 13.992 9.905 -7.196 1.00 0.00 C ATOM 650 CE2 PHE A 45 14.326 9.808 -4.795 1.00 0.00 C ATOM 651 CZ PHE A 45 14.782 10.170 -6.069 1.00 0.00 C ATOM 0 H PHE A 45 8.482 9.889 -5.153 1.00 0.00 H new ATOM 0 HA PHE A 45 10.378 9.371 -7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.651 8.248 -4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.014 7.202 -5.923 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.137 9.075 -7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.730 8.905 -3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 45 14.343 10.183 -8.179 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.935 10.011 -3.926 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.741 10.653 -6.183 1.00 0.00 H new ATOM 661 N SER A 46 9.121 6.972 -7.570 1.00 0.00 N ATOM 662 CA SER A 46 8.084 5.986 -7.987 1.00 0.00 C ATOM 663 C SER A 46 8.770 4.702 -8.438 1.00 0.00 C ATOM 664 O SER A 46 9.719 4.728 -9.197 1.00 0.00 O ATOM 665 CB SER A 46 7.268 6.563 -9.139 1.00 0.00 C ATOM 666 OG SER A 46 7.714 6.004 -10.368 1.00 0.00 O ATOM 0 H SER A 46 10.068 6.765 -7.888 1.00 0.00 H new ATOM 0 HA SER A 46 7.421 5.772 -7.149 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.210 6.346 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.371 7.648 -9.163 1.00 0.00 H new ATOM 0 HG SER A 46 7.187 6.375 -11.106 1.00 0.00 H new ATOM 672 N ASP A 47 8.318 3.575 -7.962 1.00 0.00 N ATOM 673 CA ASP A 47 8.974 2.301 -8.354 1.00 0.00 C ATOM 674 C ASP A 47 10.470 2.430 -8.072 1.00 0.00 C ATOM 675 O ASP A 47 11.284 1.706 -8.610 1.00 0.00 O ATOM 676 CB ASP A 47 8.750 2.040 -9.845 1.00 0.00 C ATOM 677 CG ASP A 47 8.948 0.554 -10.141 1.00 0.00 C ATOM 678 OD1 ASP A 47 10.089 0.118 -10.149 1.00 0.00 O ATOM 679 OD2 ASP A 47 7.957 -0.126 -10.355 1.00 0.00 O ATOM 0 H ASP A 47 7.528 3.483 -7.323 1.00 0.00 H new ATOM 0 HA ASP A 47 8.553 1.470 -7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.744 2.347 -10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.445 2.635 -10.437 1.00 0.00 H new ATOM 684 N GLU A 48 10.833 3.362 -7.231 1.00 0.00 N ATOM 685 CA GLU A 48 12.270 3.567 -6.904 1.00 0.00 C ATOM 686 C GLU A 48 12.645 2.731 -5.681 1.00 0.00 C ATOM 687 O GLU A 48 13.606 1.988 -5.695 1.00 0.00 O ATOM 688 CB GLU A 48 12.499 5.046 -6.592 1.00 0.00 C ATOM 689 CG GLU A 48 12.743 5.811 -7.895 1.00 0.00 C ATOM 690 CD GLU A 48 14.211 6.235 -7.971 1.00 0.00 C ATOM 691 OE1 GLU A 48 14.709 6.752 -6.985 1.00 0.00 O ATOM 692 OE2 GLU A 48 14.810 6.036 -9.015 1.00 0.00 O ATOM 0 H GLU A 48 10.189 3.993 -6.754 1.00 0.00 H new ATOM 0 HA GLU A 48 12.885 3.262 -7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.633 5.457 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.354 5.160 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.490 5.184 -8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.097 6.688 -7.941 1.00 0.00 H new ATOM 699 N ASP A 49 11.898 2.853 -4.620 1.00 0.00 N ATOM 700 CA ASP A 49 12.213 2.075 -3.392 1.00 0.00 C ATOM 701 C ASP A 49 11.442 0.754 -3.407 1.00 0.00 C ATOM 702 O ASP A 49 11.921 -0.260 -2.942 1.00 0.00 O ATOM 703 CB ASP A 49 11.808 2.889 -2.163 1.00 0.00 C ATOM 704 CG ASP A 49 13.001 3.010 -1.213 1.00 0.00 C ATOM 705 OD1 ASP A 49 13.401 1.996 -0.664 1.00 0.00 O ATOM 706 OD2 ASP A 49 13.495 4.113 -1.050 1.00 0.00 O ATOM 0 H ASP A 49 11.081 3.460 -4.551 1.00 0.00 H new ATOM 0 HA ASP A 49 13.282 1.866 -3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.469 3.880 -2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.972 2.408 -1.655 1.00 0.00 H new ATOM 711 N ASN A 50 10.250 0.759 -3.935 1.00 0.00 N ATOM 712 CA ASN A 50 9.452 -0.496 -3.975 1.00 0.00 C ATOM 713 C ASN A 50 9.542 -1.198 -2.618 1.00 0.00 C ATOM 714 O ASN A 50 9.893 -2.358 -2.531 1.00 0.00 O ATOM 715 CB ASN A 50 10.007 -1.420 -5.063 1.00 0.00 C ATOM 716 CG ASN A 50 9.539 -0.931 -6.435 1.00 0.00 C ATOM 717 OD1 ASN A 50 9.899 0.146 -6.865 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.748 -1.686 -7.147 1.00 0.00 N ATOM 0 H ASN A 50 9.795 1.577 -4.340 1.00 0.00 H new ATOM 0 HA ASN A 50 8.411 -0.259 -4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.096 -1.434 -5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.668 -2.442 -4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.432 -1.371 -8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.445 -2.591 -6.786 1.00 0.00 H new ATOM 725 N THR A 51 9.228 -0.504 -1.560 1.00 0.00 N ATOM 726 CA THR A 51 9.297 -1.131 -0.210 1.00 0.00 C ATOM 727 C THR A 51 7.925 -1.694 0.164 1.00 0.00 C ATOM 728 O THR A 51 6.966 -0.964 0.318 1.00 0.00 O ATOM 729 CB THR A 51 9.715 -0.079 0.821 1.00 0.00 C ATOM 730 OG1 THR A 51 10.711 0.764 0.258 1.00 0.00 O ATOM 731 CG2 THR A 51 10.272 -0.772 2.064 1.00 0.00 C ATOM 0 H THR A 51 8.927 0.470 -1.571 1.00 0.00 H new ATOM 0 HA THR A 51 10.029 -1.939 -0.223 1.00 0.00 H new ATOM 0 HB THR A 51 8.848 0.520 1.101 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.599 1.676 0.599 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.569 -0.022 2.797 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.506 -1.417 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.139 -1.373 1.788 1.00 0.00 H new ATOM 739 N TRP A 52 7.825 -2.986 0.310 1.00 0.00 N ATOM 740 CA TRP A 52 6.514 -3.594 0.674 1.00 0.00 C ATOM 741 C TRP A 52 6.390 -3.663 2.197 1.00 0.00 C ATOM 742 O TRP A 52 7.303 -4.074 2.885 1.00 0.00 O ATOM 743 CB TRP A 52 6.430 -5.005 0.090 1.00 0.00 C ATOM 744 CG TRP A 52 6.479 -4.930 -1.402 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.590 -4.670 -2.133 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.396 -5.109 -2.360 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.254 -4.680 -3.472 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.920 -4.945 -3.663 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.022 -5.397 -2.230 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.124 -5.059 -4.792 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.210 -5.514 -3.373 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.762 -5.344 -4.653 1.00 0.00 C ATOM 0 H TRP A 52 8.593 -3.647 0.193 1.00 0.00 H new ATOM 0 HA TRP A 52 5.705 -2.985 0.272 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.254 -5.614 0.462 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.507 -5.489 0.410 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.576 -4.485 -1.734 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.917 -4.511 -4.229 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.591 -5.528 -1.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.554 -4.928 -5.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.158 -5.735 -3.266 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.136 -5.433 -5.528 1.00 0.00 H new ATOM 763 N GLU A 53 5.267 -3.265 2.728 1.00 0.00 N ATOM 764 CA GLU A 53 5.086 -3.308 4.206 1.00 0.00 C ATOM 765 C GLU A 53 3.921 -4.240 4.553 1.00 0.00 C ATOM 766 O GLU A 53 2.981 -4.363 3.792 1.00 0.00 O ATOM 767 CB GLU A 53 4.785 -1.900 4.724 1.00 0.00 C ATOM 768 CG GLU A 53 6.097 -1.186 5.058 1.00 0.00 C ATOM 769 CD GLU A 53 5.810 0.277 5.399 1.00 0.00 C ATOM 770 OE1 GLU A 53 4.951 0.857 4.754 1.00 0.00 O ATOM 771 OE2 GLU A 53 6.453 0.793 6.298 1.00 0.00 O ATOM 0 H GLU A 53 4.467 -2.912 2.202 1.00 0.00 H new ATOM 0 HA GLU A 53 5.998 -3.680 4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.233 -1.335 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.153 -1.955 5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.587 -1.677 5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.781 -1.246 4.212 1.00 0.00 H new ATOM 778 N PRO A 54 4.021 -4.869 5.696 1.00 0.00 N ATOM 779 CA PRO A 54 2.991 -5.802 6.182 1.00 0.00 C ATOM 780 C PRO A 54 1.799 -5.031 6.757 1.00 0.00 C ATOM 781 O PRO A 54 1.959 -4.021 7.412 1.00 0.00 O ATOM 782 CB PRO A 54 3.711 -6.591 7.279 1.00 0.00 C ATOM 783 CG PRO A 54 4.894 -5.707 7.748 1.00 0.00 C ATOM 784 CD PRO A 54 5.171 -4.707 6.609 1.00 0.00 C ATOM 0 HA PRO A 54 2.588 -6.442 5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.037 -6.809 8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.068 -7.548 6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.645 -5.184 8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.775 -6.315 7.953 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.241 -3.686 6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.113 -4.927 6.106 1.00 0.00 H new ATOM 792 N GLU A 55 0.605 -5.499 6.514 1.00 0.00 N ATOM 793 CA GLU A 55 -0.594 -4.792 7.045 1.00 0.00 C ATOM 794 C GLU A 55 -0.738 -5.082 8.543 1.00 0.00 C ATOM 795 O GLU A 55 -1.640 -4.593 9.193 1.00 0.00 O ATOM 796 CB GLU A 55 -1.843 -5.282 6.309 1.00 0.00 C ATOM 797 CG GLU A 55 -2.009 -6.787 6.529 1.00 0.00 C ATOM 798 CD GLU A 55 -3.497 -7.144 6.518 1.00 0.00 C ATOM 799 OE1 GLU A 55 -4.305 -6.233 6.604 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.803 -8.321 6.425 1.00 0.00 O ATOM 0 H GLU A 55 0.409 -6.340 5.971 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.479 -3.719 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.723 -4.752 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.758 -5.067 5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.486 -7.339 5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.561 -7.078 7.479 1.00 0.00 H new ATOM 807 N GLU A 56 0.141 -5.872 9.094 1.00 0.00 N ATOM 808 CA GLU A 56 0.050 -6.190 10.547 1.00 0.00 C ATOM 809 C GLU A 56 0.976 -5.259 11.334 1.00 0.00 C ATOM 810 O GLU A 56 1.150 -5.406 12.527 1.00 0.00 O ATOM 811 CB GLU A 56 0.469 -7.642 10.780 1.00 0.00 C ATOM 812 CG GLU A 56 -0.323 -8.559 9.845 1.00 0.00 C ATOM 813 CD GLU A 56 0.079 -10.014 10.095 1.00 0.00 C ATOM 814 OE1 GLU A 56 1.143 -10.225 10.653 1.00 0.00 O ATOM 815 OE2 GLU A 56 -0.683 -10.891 9.724 1.00 0.00 O ATOM 0 H GLU A 56 0.919 -6.311 8.601 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.977 -6.050 10.884 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.538 -7.757 10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.290 -7.921 11.818 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.392 -8.432 10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.130 -8.291 8.806 1.00 0.00 H new ATOM 822 N ASN A 57 1.571 -4.301 10.677 1.00 0.00 N ATOM 823 CA ASN A 57 2.484 -3.364 11.390 1.00 0.00 C ATOM 824 C ASN A 57 2.245 -1.939 10.887 1.00 0.00 C ATOM 825 O ASN A 57 2.259 -0.991 11.647 1.00 0.00 O ATOM 826 CB ASN A 57 3.936 -3.762 11.121 1.00 0.00 C ATOM 827 CG ASN A 57 4.464 -4.590 12.295 1.00 0.00 C ATOM 828 OD1 ASN A 57 3.701 -5.209 13.009 1.00 0.00 O ATOM 829 ND2 ASN A 57 5.749 -4.628 12.526 1.00 0.00 N ATOM 0 H ASN A 57 1.464 -4.127 9.678 1.00 0.00 H new ATOM 0 HA ASN A 57 2.287 -3.410 12.461 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.001 -4.338 10.198 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.549 -2.871 10.985 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.111 -5.177 13.306 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.390 -4.108 11.927 1.00 0.00 H new ATOM 836 N LEU A 58 2.024 -1.781 9.611 1.00 0.00 N ATOM 837 CA LEU A 58 1.784 -0.419 9.058 1.00 0.00 C ATOM 838 C LEU A 58 0.672 0.268 9.854 1.00 0.00 C ATOM 839 O LEU A 58 -0.399 -0.276 10.037 1.00 0.00 O ATOM 840 CB LEU A 58 1.365 -0.530 7.591 1.00 0.00 C ATOM 841 CG LEU A 58 2.526 -0.102 6.693 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.177 -0.396 5.233 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.775 1.397 6.864 1.00 0.00 C ATOM 0 H LEU A 58 1.999 -2.537 8.927 1.00 0.00 H new ATOM 0 HA LEU A 58 2.700 0.168 9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.073 -1.555 7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.495 0.099 7.402 1.00 0.00 H new ATOM 0 HG LEU A 58 3.423 -0.655 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.005 -0.091 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.997 -1.464 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.280 0.157 4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.603 1.704 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.877 1.949 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.023 1.608 7.904 1.00 0.00 H new ATOM 855 N ASP A 59 0.916 1.459 10.328 1.00 0.00 N ATOM 856 CA ASP A 59 -0.128 2.178 11.110 1.00 0.00 C ATOM 857 C ASP A 59 -0.801 3.222 10.216 1.00 0.00 C ATOM 858 O ASP A 59 -0.919 4.377 10.574 1.00 0.00 O ATOM 859 CB ASP A 59 0.519 2.873 12.309 1.00 0.00 C ATOM 860 CG ASP A 59 -0.496 2.979 13.449 1.00 0.00 C ATOM 861 OD1 ASP A 59 -1.287 2.062 13.597 1.00 0.00 O ATOM 862 OD2 ASP A 59 -0.467 3.975 14.153 1.00 0.00 O ATOM 0 H ASP A 59 1.793 1.965 10.207 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.873 1.466 11.464 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.394 2.313 12.638 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.865 3.866 12.023 1.00 0.00 H new ATOM 867 N CYS A 60 -1.243 2.825 9.053 1.00 0.00 N ATOM 868 CA CYS A 60 -1.905 3.795 8.138 1.00 0.00 C ATOM 869 C CYS A 60 -3.106 3.124 7.463 1.00 0.00 C ATOM 870 O CYS A 60 -2.981 2.565 6.391 1.00 0.00 O ATOM 871 CB CYS A 60 -0.909 4.248 7.068 1.00 0.00 C ATOM 872 SG CYS A 60 -0.776 6.053 7.095 1.00 0.00 S ATOM 0 H CYS A 60 -1.174 1.871 8.698 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.244 4.659 8.710 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.067 3.798 7.250 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.237 3.911 6.085 1.00 0.00 H new ATOM 0 HG CYS A 60 0.072 6.439 6.188 1.00 0.00 H new ATOM 878 N PRO A 61 -4.237 3.205 8.114 1.00 0.00 N ATOM 879 CA PRO A 61 -5.488 2.617 7.608 1.00 0.00 C ATOM 880 C PRO A 61 -6.089 3.508 6.518 1.00 0.00 C ATOM 881 O PRO A 61 -7.165 3.251 6.015 1.00 0.00 O ATOM 882 CB PRO A 61 -6.391 2.573 8.843 1.00 0.00 C ATOM 883 CG PRO A 61 -5.837 3.635 9.825 1.00 0.00 C ATOM 884 CD PRO A 61 -4.374 3.890 9.416 1.00 0.00 C ATOM 0 HA PRO A 61 -5.351 1.635 7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.425 2.792 8.577 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.382 1.582 9.296 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.420 4.554 9.771 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.896 3.280 10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.165 4.956 9.329 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.679 3.488 10.153 1.00 0.00 H new ATOM 892 N ASP A 62 -5.400 4.553 6.145 1.00 0.00 N ATOM 893 CA ASP A 62 -5.928 5.456 5.087 1.00 0.00 C ATOM 894 C ASP A 62 -5.490 4.934 3.720 1.00 0.00 C ATOM 895 O ASP A 62 -6.265 4.887 2.785 1.00 0.00 O ATOM 896 CB ASP A 62 -5.374 6.867 5.296 1.00 0.00 C ATOM 897 CG ASP A 62 -6.316 7.656 6.208 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.454 7.862 5.815 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.885 8.042 7.281 1.00 0.00 O ATOM 0 H ASP A 62 -4.493 4.819 6.529 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.016 5.485 5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.379 6.817 5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.270 7.374 4.337 1.00 0.00 H new ATOM 904 N LEU A 63 -4.256 4.531 3.597 1.00 0.00 N ATOM 905 CA LEU A 63 -3.775 4.006 2.293 1.00 0.00 C ATOM 906 C LEU A 63 -4.189 2.542 2.166 1.00 0.00 C ATOM 907 O LEU A 63 -4.439 2.048 1.085 1.00 0.00 O ATOM 908 CB LEU A 63 -2.252 4.115 2.220 1.00 0.00 C ATOM 909 CG LEU A 63 -1.813 5.492 2.724 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.372 5.413 3.233 1.00 0.00 C ATOM 911 CD2 LEU A 63 -1.893 6.503 1.578 1.00 0.00 C ATOM 0 H LEU A 63 -3.562 4.543 4.344 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.212 4.587 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.792 3.332 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.915 3.967 1.194 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.469 5.808 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.059 6.393 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.313 4.692 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.284 5.097 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.581 7.484 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.237 6.187 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.919 6.559 1.214 1.00 0.00 H new ATOM 923 N ILE A 64 -4.271 1.846 3.265 1.00 0.00 N ATOM 924 CA ILE A 64 -4.677 0.417 3.208 1.00 0.00 C ATOM 925 C ILE A 64 -6.163 0.338 2.854 1.00 0.00 C ATOM 926 O ILE A 64 -6.594 -0.535 2.129 1.00 0.00 O ATOM 927 CB ILE A 64 -4.439 -0.241 4.568 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.985 -0.019 4.994 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.716 -1.740 4.464 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.055 -0.782 4.049 1.00 0.00 C ATOM 0 H ILE A 64 -4.074 2.206 4.199 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.088 -0.103 2.453 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.106 0.201 5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.748 1.045 4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.839 -0.360 6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.546 -2.209 5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.751 -1.899 4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.049 -2.183 3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.020 -0.624 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.287 -1.846 4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.194 -0.420 3.030 1.00 0.00 H new ATOM 942 N ALA A 65 -6.947 1.251 3.362 1.00 0.00 N ATOM 943 CA ALA A 65 -8.406 1.238 3.058 1.00 0.00 C ATOM 944 C ALA A 65 -8.678 2.097 1.819 1.00 0.00 C ATOM 945 O ALA A 65 -9.792 2.176 1.341 1.00 0.00 O ATOM 946 CB ALA A 65 -9.177 1.805 4.251 1.00 0.00 C ATOM 0 H ALA A 65 -6.639 2.006 3.975 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.730 0.215 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.245 1.797 4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.983 1.194 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.853 2.829 4.440 1.00 0.00 H new ATOM 952 N GLU A 66 -7.669 2.741 1.295 1.00 0.00 N ATOM 953 CA GLU A 66 -7.875 3.590 0.087 1.00 0.00 C ATOM 954 C GLU A 66 -7.455 2.806 -1.156 1.00 0.00 C ATOM 955 O GLU A 66 -7.968 3.012 -2.236 1.00 0.00 O ATOM 956 CB GLU A 66 -7.026 4.859 0.199 1.00 0.00 C ATOM 957 CG GLU A 66 -7.791 5.919 0.994 1.00 0.00 C ATOM 958 CD GLU A 66 -6.846 7.067 1.357 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.645 6.866 1.279 1.00 0.00 O ATOM 960 OE2 GLU A 66 -7.339 8.127 1.706 1.00 0.00 O ATOM 0 H GLU A 66 -6.713 2.716 1.651 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.927 3.866 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.080 4.634 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.787 5.238 -0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.628 6.295 0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.209 5.478 1.899 1.00 0.00 H new ATOM 967 N PHE A 67 -6.525 1.904 -1.005 1.00 0.00 N ATOM 968 CA PHE A 67 -6.069 1.100 -2.171 1.00 0.00 C ATOM 969 C PHE A 67 -6.885 -0.192 -2.240 1.00 0.00 C ATOM 970 O PHE A 67 -7.083 -0.758 -3.297 1.00 0.00 O ATOM 971 CB PHE A 67 -4.583 0.766 -2.009 1.00 0.00 C ATOM 972 CG PHE A 67 -4.197 -0.323 -2.981 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.440 -1.665 -2.659 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.597 0.007 -4.202 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.083 -2.677 -3.560 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.239 -1.005 -5.104 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.483 -2.347 -4.783 1.00 0.00 C ATOM 0 H PHE A 67 -6.061 1.689 -0.122 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.211 1.669 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.979 1.656 -2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.382 0.443 -0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.902 -1.919 -1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.410 1.042 -4.449 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.270 -3.711 -3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.775 -0.750 -6.046 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.209 -3.127 -5.478 1.00 0.00 H new ATOM 987 N LEU A 68 -7.360 -0.665 -1.120 1.00 0.00 N ATOM 988 CA LEU A 68 -8.161 -1.919 -1.126 1.00 0.00 C ATOM 989 C LEU A 68 -9.576 -1.610 -1.624 1.00 0.00 C ATOM 990 O LEU A 68 -10.297 -2.485 -2.062 1.00 0.00 O ATOM 991 CB LEU A 68 -8.201 -2.509 0.295 1.00 0.00 C ATOM 992 CG LEU A 68 -9.344 -1.890 1.110 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.663 -2.580 0.753 1.00 0.00 C ATOM 994 CD2 LEU A 68 -9.064 -2.088 2.602 1.00 0.00 C ATOM 0 H LEU A 68 -7.228 -0.237 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.705 -2.651 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.331 -3.590 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.251 -2.326 0.796 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.416 -0.826 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.473 -2.139 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.865 -2.450 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.591 -3.643 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.874 -1.650 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.995 -3.154 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.124 -1.602 2.863 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.977 -0.369 -1.564 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.342 -0.003 -2.035 1.00 0.00 C ATOM 1008 C GLN A 69 -11.362 0.014 -3.564 1.00 0.00 C ATOM 1009 O GLN A 69 -12.366 -0.277 -4.184 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.711 1.385 -1.503 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.140 1.730 -1.929 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.477 3.152 -1.474 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -12.703 3.780 -0.779 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -14.609 3.690 -1.841 1.00 0.00 N ATOM 0 H GLN A 69 -9.418 0.407 -1.209 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.063 -0.734 -1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.629 1.403 -0.416 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.015 2.131 -1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.238 1.650 -3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.843 1.020 -1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.259 3.163 -2.424 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.843 4.637 -1.544 1.00 0.00 H new ATOM 1023 N SER A 70 -10.261 0.350 -4.178 1.00 0.00 N ATOM 1024 CA SER A 70 -10.221 0.380 -5.666 1.00 0.00 C ATOM 1025 C SER A 70 -10.602 -0.998 -6.209 1.00 0.00 C ATOM 1026 O SER A 70 -11.175 -1.122 -7.273 1.00 0.00 O ATOM 1027 CB SER A 70 -8.811 0.741 -6.133 1.00 0.00 C ATOM 1028 OG SER A 70 -8.119 1.393 -5.077 1.00 0.00 O ATOM 0 H SER A 70 -9.389 0.605 -3.714 1.00 0.00 H new ATOM 0 HA SER A 70 -10.925 1.126 -6.035 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.274 -0.158 -6.434 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.860 1.391 -7.007 1.00 0.00 H new ATOM 0 HG SER A 70 -7.626 0.730 -4.551 1.00 0.00 H new ATOM 1034 N GLN A 71 -10.293 -2.037 -5.481 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.642 -3.406 -5.951 1.00 0.00 C ATOM 1036 C GLN A 71 -12.126 -3.451 -6.312 1.00 0.00 C ATOM 1037 O GLN A 71 -12.525 -4.081 -7.271 1.00 0.00 O ATOM 1038 CB GLN A 71 -10.357 -4.416 -4.837 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.853 -4.462 -4.561 1.00 0.00 C ATOM 1040 CD GLN A 71 -8.370 -5.912 -4.596 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -9.165 -6.828 -4.662 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -7.089 -6.162 -4.555 1.00 0.00 N ATOM 0 H GLN A 71 -9.814 -1.996 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.044 -3.656 -6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.895 -4.136 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.714 -5.404 -5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.318 -3.872 -5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.638 -4.020 -3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.421 -5.393 -4.500 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.757 -7.126 -4.578 1.00 0.00 H new ATOM 1051 N LYS A 72 -12.947 -2.781 -5.551 1.00 0.00 N ATOM 1052 CA LYS A 72 -14.406 -2.778 -5.847 1.00 0.00 C ATOM 1053 C LYS A 72 -14.716 -1.672 -6.858 1.00 0.00 C ATOM 1054 O LYS A 72 -15.667 -1.752 -7.610 1.00 0.00 O ATOM 1055 CB LYS A 72 -15.187 -2.521 -4.556 1.00 0.00 C ATOM 1056 CG LYS A 72 -14.709 -3.485 -3.469 1.00 0.00 C ATOM 1057 CD LYS A 72 -15.903 -3.930 -2.621 1.00 0.00 C ATOM 1058 CE LYS A 72 -15.904 -5.455 -2.501 1.00 0.00 C ATOM 1059 NZ LYS A 72 -15.096 -5.861 -1.316 1.00 0.00 N ATOM 0 H LYS A 72 -12.669 -2.235 -4.736 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.696 -3.743 -6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.044 -1.490 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.254 -2.655 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.228 -4.352 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.963 -3.000 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.849 -3.477 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.833 -3.590 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.926 -5.822 -2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.492 -5.902 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.097 -6.898 -1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.119 -5.523 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.508 -5.446 -0.456 1.00 0.00 H new ATOM 1073 N THR A 73 -13.918 -0.638 -6.884 1.00 0.00 N ATOM 1074 CA THR A 73 -14.166 0.472 -7.847 1.00 0.00 C ATOM 1075 C THR A 73 -13.037 0.510 -8.880 1.00 0.00 C ATOM 1076 O THR A 73 -12.227 1.416 -8.896 1.00 0.00 O ATOM 1077 CB THR A 73 -14.211 1.803 -7.092 1.00 0.00 C ATOM 1078 OG1 THR A 73 -14.584 1.566 -5.742 1.00 0.00 O ATOM 1079 CG2 THR A 73 -15.234 2.731 -7.751 1.00 0.00 C ATOM 0 H THR A 73 -13.105 -0.515 -6.280 1.00 0.00 H new ATOM 0 HA THR A 73 -15.118 0.309 -8.353 1.00 0.00 H new ATOM 0 HB THR A 73 -13.227 2.272 -7.121 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.612 2.417 -5.256 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.265 3.678 -7.213 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.947 2.911 -8.787 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.219 2.265 -7.723 1.00 0.00 H new ATOM 1087 N ALA A 74 -12.977 -0.468 -9.743 1.00 0.00 N ATOM 1088 CA ALA A 74 -11.902 -0.486 -10.774 1.00 0.00 C ATOM 1089 C ALA A 74 -12.499 -0.882 -12.126 1.00 0.00 C ATOM 1090 O ALA A 74 -12.665 -0.062 -13.007 1.00 0.00 O ATOM 1091 CB ALA A 74 -10.829 -1.501 -10.373 1.00 0.00 C ATOM 0 H ALA A 74 -13.626 -1.254 -9.778 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.455 0.505 -10.851 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.042 -1.515 -11.127 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.404 -1.220 -9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.276 -2.492 -10.297 1.00 0.00 H new ATOM 1097 N HIS A 75 -12.824 -2.135 -12.297 1.00 0.00 N ATOM 1098 CA HIS A 75 -13.409 -2.582 -13.592 1.00 0.00 C ATOM 1099 C HIS A 75 -14.936 -2.603 -13.479 1.00 0.00 C ATOM 1100 O HIS A 75 -15.621 -3.175 -14.304 1.00 0.00 O ATOM 1101 CB HIS A 75 -12.903 -3.988 -13.923 1.00 0.00 C ATOM 1102 CG HIS A 75 -11.611 -3.890 -14.687 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -10.441 -3.425 -14.105 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -11.289 -4.193 -15.986 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -9.479 -3.463 -15.045 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -9.942 -3.922 -16.211 1.00 0.00 N ATOM 0 H HIS A 75 -12.710 -2.867 -11.596 1.00 0.00 H new ATOM 0 HA HIS A 75 -13.111 -1.894 -14.383 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.753 -4.557 -13.006 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.647 -4.524 -14.513 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -11.976 -4.583 -16.722 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -8.456 -3.159 -14.877 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.421 -4.047 -17.079 1.00 0.00 H new ATOM 1114 N GLU A 76 -15.474 -1.983 -12.465 1.00 0.00 N ATOM 1115 CA GLU A 76 -16.954 -1.967 -12.299 1.00 0.00 C ATOM 1116 C GLU A 76 -17.530 -0.729 -12.990 1.00 0.00 C ATOM 1117 O GLU A 76 -18.588 -0.775 -13.586 1.00 0.00 O ATOM 1118 CB GLU A 76 -17.301 -1.926 -10.809 1.00 0.00 C ATOM 1119 CG GLU A 76 -18.537 -2.788 -10.546 1.00 0.00 C ATOM 1120 CD GLU A 76 -18.876 -2.754 -9.055 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -18.062 -3.213 -8.271 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -19.947 -2.271 -8.723 1.00 0.00 O ATOM 0 H GLU A 76 -14.951 -1.486 -11.743 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.379 -2.865 -12.746 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.460 -2.290 -10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.489 -0.899 -10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.381 -2.420 -11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.352 -3.814 -10.864 1.00 0.00 H new ATOM 1129 N THR A 77 -16.842 0.378 -12.917 1.00 0.00 N ATOM 1130 CA THR A 77 -17.350 1.616 -13.569 1.00 0.00 C ATOM 1131 C THR A 77 -17.510 1.371 -15.071 1.00 0.00 C ATOM 1132 O THR A 77 -18.583 1.061 -15.549 1.00 0.00 O ATOM 1133 CB THR A 77 -16.357 2.758 -13.341 1.00 0.00 C ATOM 1134 OG1 THR A 77 -15.036 2.235 -13.318 1.00 0.00 O ATOM 1135 CG2 THR A 77 -16.661 3.441 -12.006 1.00 0.00 C ATOM 0 H THR A 77 -15.949 0.477 -12.433 1.00 0.00 H new ATOM 0 HA THR A 77 -18.315 1.884 -13.139 1.00 0.00 H new ATOM 0 HB THR A 77 -16.447 3.486 -14.147 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.398 2.965 -13.174 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.954 4.254 -11.844 1.00 0.00 H new ATOM 0 HG22 THR A 77 -17.675 3.840 -12.024 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.571 2.716 -11.197 1.00 0.00 H new ATOM 1143 N ASP A 78 -16.449 1.507 -15.820 1.00 0.00 N ATOM 1144 CA ASP A 78 -16.542 1.281 -17.291 1.00 0.00 C ATOM 1145 C ASP A 78 -17.261 2.463 -17.945 1.00 0.00 C ATOM 1146 O ASP A 78 -18.465 2.597 -17.854 1.00 0.00 O ATOM 1147 CB ASP A 78 -17.325 -0.006 -17.561 1.00 0.00 C ATOM 1148 CG ASP A 78 -16.723 -0.727 -18.768 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -16.169 -0.052 -19.620 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -16.826 -1.941 -18.820 1.00 0.00 O ATOM 0 H ASP A 78 -15.523 1.764 -15.478 1.00 0.00 H new ATOM 0 HA ASP A 78 -15.539 1.190 -17.709 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -17.294 -0.654 -16.685 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.373 0.226 -17.749 1.00 0.00 H new ATOM 1155 N LYS A 79 -16.531 3.323 -18.602 1.00 0.00 N ATOM 1156 CA LYS A 79 -17.173 4.496 -19.261 1.00 0.00 C ATOM 1157 C LYS A 79 -16.541 4.717 -20.638 1.00 0.00 C ATOM 1158 O LYS A 79 -17.190 4.592 -21.657 1.00 0.00 O ATOM 1159 CB LYS A 79 -16.965 5.742 -18.398 1.00 0.00 C ATOM 1160 CG LYS A 79 -17.939 6.837 -18.839 1.00 0.00 C ATOM 1161 CD LYS A 79 -18.380 7.650 -17.620 1.00 0.00 C ATOM 1162 CE LYS A 79 -19.780 8.216 -17.864 1.00 0.00 C ATOM 1163 NZ LYS A 79 -19.705 9.313 -18.869 1.00 0.00 N ATOM 0 H LYS A 79 -15.519 3.264 -18.711 1.00 0.00 H new ATOM 0 HA LYS A 79 -18.240 4.309 -19.377 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -17.125 5.500 -17.347 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.938 6.095 -18.492 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -17.462 7.489 -19.571 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -18.807 6.392 -19.326 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -18.381 7.020 -16.730 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -17.675 8.461 -17.436 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -20.445 7.429 -18.219 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -20.200 8.592 -16.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -20.654 9.709 -19.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -19.070 10.060 -18.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -19.338 8.937 -19.767 1.00 0.00 H new ATOM 1177 N SER A 80 -15.279 5.047 -20.675 1.00 0.00 N ATOM 1178 CA SER A 80 -14.607 5.277 -21.985 1.00 0.00 C ATOM 1179 C SER A 80 -13.870 4.006 -22.411 1.00 0.00 C ATOM 1180 O SER A 80 -13.570 3.885 -23.587 1.00 0.00 O ATOM 1181 CB SER A 80 -13.606 6.425 -21.850 1.00 0.00 C ATOM 1182 OG SER A 80 -14.135 7.587 -22.475 1.00 0.00 O ATOM 1183 OXT SER A 80 -13.619 3.175 -21.555 1.00 0.00 O ATOM 0 H SER A 80 -14.684 5.167 -19.855 1.00 0.00 H new ATOM 0 HA SER A 80 -15.354 5.533 -22.736 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.404 6.624 -20.798 1.00 0.00 H new ATOM 0 HB3 SER A 80 -12.657 6.151 -22.310 1.00 0.00 H new ATOM 0 HG SER A 80 -13.496 8.325 -22.388 1.00 0.00 H new TER 1189 SER A 80