USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 380 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 15 GLN : amide:sc= 1.11 K(o=2.3,f=-2.4) USER MOD Set 1.2: A 19 TYR OH : rot 52:sc= 1.23 USER MOD Single : A 1 GLY N :NH3+ 152:sc= -0.091 (180deg=-1.19) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.393 K(o=-0.39,f=-2.5!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 155:sc= 0.0456 (180deg=0.00487) USER MOD Single : B 3 ASN : amide:sc= -1.73! C(o=-1.7!,f=-8.8!) USER MOD Single : B 4 GLN : amide:sc= -1.24! C(o=-1.2!,f=-6.5!) USER MOD Single : B 5 HIS : no HD1:sc= -7.73! C(o=-7.7!,f=-8.7!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -128:sc= 0.0173 USER MOD Single : B 27 THR OG1 : rot -52:sc= 0.32! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.0391 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.611 1.255 -1.410 1.00 0.00 N ATOM 2 CA GLY A 1 -8.421 1.115 0.100 1.00 0.00 C ATOM 3 C GLY A 1 -7.069 1.330 0.691 1.00 0.00 C ATOM 4 O GLY A 1 -6.936 1.793 1.807 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.400 0.652 -1.718 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.822 2.246 -1.643 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.740 0.962 -1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.104 1.815 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.744 0.112 0.379 1.00 0.00 H new ATOM 10 N LEU A 2 -6.034 1.004 -0.034 1.00 0.00 N ATOM 11 CA LEU A 2 -4.656 1.196 0.502 1.00 0.00 C ATOM 12 C LEU A 2 -3.808 1.938 -0.532 1.00 0.00 C ATOM 13 O LEU A 2 -2.641 1.654 -0.712 1.00 0.00 O ATOM 14 CB LEU A 2 -4.028 -0.170 0.793 1.00 0.00 C ATOM 15 CG LEU A 2 -3.842 -0.942 -0.515 1.00 0.00 C ATOM 16 CD1 LEU A 2 -2.515 -1.700 -0.477 1.00 0.00 C ATOM 17 CD2 LEU A 2 -4.991 -1.938 -0.686 1.00 0.00 C ATOM 0 H LEU A 2 -6.083 0.613 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.700 1.779 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.066 -0.040 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.664 -0.736 1.473 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.837 -0.243 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -2.383 -2.250 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.695 -0.992 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.519 -2.399 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.860 -2.489 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.995 -2.636 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.938 -1.399 -0.713 1.00 0.00 H new ATOM 29 N LEU A 3 -4.387 2.886 -1.215 1.00 0.00 N ATOM 30 CA LEU A 3 -3.618 3.647 -2.239 1.00 0.00 C ATOM 31 C LEU A 3 -3.375 5.062 -1.727 1.00 0.00 C ATOM 32 O LEU A 3 -2.478 5.751 -2.166 1.00 0.00 O ATOM 33 CB LEU A 3 -4.409 3.714 -3.551 1.00 0.00 C ATOM 34 CG LEU A 3 -5.407 2.557 -3.622 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.404 2.810 -4.753 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.655 1.250 -3.889 1.00 0.00 C ATOM 0 H LEU A 3 -5.362 3.167 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.668 3.145 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.937 4.665 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.726 3.668 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.943 2.482 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.115 1.985 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.940 3.740 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.869 2.886 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.366 0.425 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.119 1.326 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.945 1.068 -3.083 1.00 0.00 H new ATOM 48 N GLU A 4 -4.169 5.501 -0.799 1.00 0.00 N ATOM 49 CA GLU A 4 -3.989 6.868 -0.253 1.00 0.00 C ATOM 50 C GLU A 4 -2.611 6.976 0.406 1.00 0.00 C ATOM 51 O GLU A 4 -2.073 8.054 0.568 1.00 0.00 O ATOM 52 CB GLU A 4 -5.076 7.138 0.785 1.00 0.00 C ATOM 53 CG GLU A 4 -5.317 5.878 1.618 1.00 0.00 C ATOM 54 CD GLU A 4 -5.904 6.269 2.975 1.00 0.00 C ATOM 55 OE1 GLU A 4 -6.553 7.300 3.042 1.00 0.00 O ATOM 56 OE2 GLU A 4 -5.694 5.532 3.924 1.00 0.00 O ATOM 0 H GLU A 4 -4.939 4.969 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.061 7.600 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.777 7.962 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.999 7.440 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.999 5.208 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.381 5.336 1.757 1.00 0.00 H new ATOM 63 N GLN A 5 -2.037 5.867 0.792 1.00 0.00 N ATOM 64 CA GLN A 5 -0.698 5.910 1.445 1.00 0.00 C ATOM 65 C GLN A 5 0.377 5.422 0.471 1.00 0.00 C ATOM 66 O GLN A 5 1.534 5.774 0.582 1.00 0.00 O ATOM 67 CB GLN A 5 -0.705 5.011 2.683 1.00 0.00 C ATOM 68 CG GLN A 5 0.161 5.640 3.775 1.00 0.00 C ATOM 69 CD GLN A 5 0.259 4.684 4.966 1.00 0.00 C ATOM 70 OE1 GLN A 5 -0.672 4.558 5.736 1.00 0.00 O ATOM 71 NE2 GLN A 5 1.355 4.001 5.151 1.00 0.00 N ATOM 0 H GLN A 5 -2.438 4.935 0.683 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.478 6.937 1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.725 4.879 3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.326 4.021 2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.156 5.855 3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.269 6.590 4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.137 4.107 4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.430 3.361 5.942 1.00 0.00 H new ATOM 80 N CYS A 6 0.006 4.609 -0.475 1.00 0.00 N ATOM 81 CA CYS A 6 1.011 4.093 -1.449 1.00 0.00 C ATOM 82 C CYS A 6 0.878 4.837 -2.781 1.00 0.00 C ATOM 83 O CYS A 6 1.810 4.913 -3.555 1.00 0.00 O ATOM 84 CB CYS A 6 0.780 2.597 -1.674 1.00 0.00 C ATOM 85 SG CYS A 6 0.388 1.801 -0.096 1.00 0.00 S ATOM 0 H CYS A 6 -0.948 4.278 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 6 2.012 4.253 -1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.035 2.447 -2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.669 2.143 -2.111 1.00 0.00 H new ATOM 90 N CYS A 7 -0.273 5.386 -3.052 1.00 0.00 N ATOM 91 CA CYS A 7 -0.465 6.125 -4.331 1.00 0.00 C ATOM 92 C CYS A 7 -0.219 7.615 -4.091 1.00 0.00 C ATOM 93 O CYS A 7 0.474 8.269 -4.844 1.00 0.00 O ATOM 94 CB CYS A 7 -1.898 5.918 -4.830 1.00 0.00 C ATOM 95 SG CYS A 7 -2.071 6.629 -6.486 1.00 0.00 S ATOM 0 H CYS A 7 -1.090 5.355 -2.442 1.00 0.00 H new ATOM 0 HA CYS A 7 0.235 5.753 -5.079 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.136 4.855 -4.853 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.604 6.388 -4.145 1.00 0.00 H new ATOM 100 N HIS A 8 -0.780 8.155 -3.045 1.00 0.00 N ATOM 101 CA HIS A 8 -0.576 9.602 -2.753 1.00 0.00 C ATOM 102 C HIS A 8 0.816 9.801 -2.151 1.00 0.00 C ATOM 103 O HIS A 8 1.374 10.880 -2.194 1.00 0.00 O ATOM 104 CB HIS A 8 -1.638 10.078 -1.759 1.00 0.00 C ATOM 105 CG HIS A 8 -1.481 11.556 -1.525 1.00 0.00 C ATOM 106 ND1 HIS A 8 -1.185 12.057 -0.275 1.00 0.00 N ATOM 107 CD2 HIS A 8 -1.585 12.619 -2.379 1.00 0.00 C ATOM 108 CE1 HIS A 8 -1.117 13.390 -0.403 1.00 0.00 C ATOM 109 NE2 HIS A 8 -1.355 13.780 -1.672 1.00 0.00 N ATOM 0 H HIS A 8 -1.371 7.657 -2.379 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.662 10.178 -3.674 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.635 9.864 -2.145 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.538 9.538 -0.818 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.810 12.559 -3.434 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.899 14.067 0.409 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.363 14.734 -2.033 1.00 0.00 H new ATOM 117 N SER A 9 1.382 8.766 -1.594 1.00 0.00 N ATOM 118 CA SER A 9 2.739 8.889 -0.991 1.00 0.00 C ATOM 119 C SER A 9 3.556 7.642 -1.332 1.00 0.00 C ATOM 120 O SER A 9 3.399 7.056 -2.385 1.00 0.00 O ATOM 121 CB SER A 9 2.611 9.022 0.526 1.00 0.00 C ATOM 122 OG SER A 9 3.671 9.834 1.017 1.00 0.00 O ATOM 0 H SER A 9 0.962 7.839 -1.530 1.00 0.00 H new ATOM 0 HA SER A 9 3.240 9.772 -1.388 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.649 9.464 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.645 8.038 0.993 1.00 0.00 H new ATOM 0 HG SER A 9 3.591 9.923 1.990 1.00 0.00 H new ATOM 128 N ILE A 10 4.426 7.226 -0.452 1.00 0.00 N ATOM 129 CA ILE A 10 5.245 6.014 -0.734 1.00 0.00 C ATOM 130 C ILE A 10 4.947 4.942 0.318 1.00 0.00 C ATOM 131 O ILE A 10 4.808 5.230 1.490 1.00 0.00 O ATOM 132 CB ILE A 10 6.731 6.378 -0.689 1.00 0.00 C ATOM 133 CG1 ILE A 10 7.093 7.181 -1.940 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.571 5.098 -0.646 1.00 0.00 C ATOM 135 CD1 ILE A 10 6.814 8.666 -1.692 1.00 0.00 C ATOM 0 H ILE A 10 4.604 7.672 0.448 1.00 0.00 H new ATOM 0 HA ILE A 10 4.998 5.630 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 10 6.933 6.974 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.144 7.034 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.512 6.828 -2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.629 5.358 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.312 4.522 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.371 4.501 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.072 9.238 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.757 8.805 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.414 9.014 -0.851 1.00 0.00 H new ATOM 147 N CYS A 11 4.850 3.708 -0.092 1.00 0.00 N ATOM 148 CA CYS A 11 4.565 2.618 0.883 1.00 0.00 C ATOM 149 C CYS A 11 5.796 1.720 1.018 1.00 0.00 C ATOM 150 O CYS A 11 6.604 1.620 0.116 1.00 0.00 O ATOM 151 CB CYS A 11 3.376 1.791 0.391 1.00 0.00 C ATOM 152 SG CYS A 11 1.856 2.415 1.149 1.00 0.00 S ATOM 0 H CYS A 11 4.956 3.407 -1.061 1.00 0.00 H new ATOM 0 HA CYS A 11 4.326 3.051 1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.304 1.848 -0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.518 0.741 0.646 1.00 0.00 H new ATOM 157 N SER A 12 5.948 1.068 2.138 1.00 0.00 N ATOM 158 CA SER A 12 7.130 0.181 2.327 1.00 0.00 C ATOM 159 C SER A 12 6.759 -1.256 1.954 1.00 0.00 C ATOM 160 O SER A 12 5.774 -1.794 2.418 1.00 0.00 O ATOM 161 CB SER A 12 7.572 0.228 3.791 1.00 0.00 C ATOM 162 OG SER A 12 6.423 0.220 4.628 1.00 0.00 O ATOM 0 H SER A 12 5.306 1.111 2.929 1.00 0.00 H new ATOM 0 HA SER A 12 7.944 0.522 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.208 -0.627 4.019 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.165 1.124 3.976 1.00 0.00 H new ATOM 0 HG SER A 12 6.702 0.248 5.567 1.00 0.00 H new ATOM 168 N LEU A 13 7.541 -1.878 1.116 1.00 0.00 N ATOM 169 CA LEU A 13 7.241 -3.275 0.707 1.00 0.00 C ATOM 170 C LEU A 13 6.895 -4.112 1.945 1.00 0.00 C ATOM 171 O LEU A 13 6.169 -5.083 1.866 1.00 0.00 O ATOM 172 CB LEU A 13 8.467 -3.854 -0.017 1.00 0.00 C ATOM 173 CG LEU A 13 9.441 -4.494 0.982 1.00 0.00 C ATOM 174 CD1 LEU A 13 10.572 -5.185 0.220 1.00 0.00 C ATOM 175 CD2 LEU A 13 10.031 -3.411 1.889 1.00 0.00 C ATOM 0 H LEU A 13 8.379 -1.475 0.696 1.00 0.00 H new ATOM 0 HA LEU A 13 6.386 -3.294 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.146 -4.598 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.974 -3.064 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 13 8.907 -5.226 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.264 -5.640 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.156 -5.957 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.104 -4.451 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.722 -3.867 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.564 -2.679 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.228 -2.915 2.434 1.00 0.00 H new ATOM 187 N TYR A 14 7.410 -3.744 3.085 1.00 0.00 N ATOM 188 CA TYR A 14 7.112 -4.519 4.323 1.00 0.00 C ATOM 189 C TYR A 14 5.624 -4.413 4.646 1.00 0.00 C ATOM 190 O TYR A 14 4.963 -5.396 4.923 1.00 0.00 O ATOM 191 CB TYR A 14 7.929 -3.956 5.487 1.00 0.00 C ATOM 192 CG TYR A 14 7.941 -4.949 6.623 1.00 0.00 C ATOM 193 CD1 TYR A 14 6.789 -5.142 7.398 1.00 0.00 C ATOM 194 CD2 TYR A 14 9.104 -5.677 6.904 1.00 0.00 C ATOM 195 CE1 TYR A 14 6.801 -6.063 8.454 1.00 0.00 C ATOM 196 CE2 TYR A 14 9.117 -6.599 7.960 1.00 0.00 C ATOM 197 CZ TYR A 14 7.966 -6.792 8.735 1.00 0.00 C ATOM 198 OH TYR A 14 7.978 -7.698 9.774 1.00 0.00 O ATOM 0 H TYR A 14 8.024 -2.940 3.214 1.00 0.00 H new ATOM 0 HA TYR A 14 7.375 -5.565 4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.948 -3.748 5.162 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.501 -3.011 5.821 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.892 -4.581 7.181 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.991 -5.528 6.307 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.914 -6.212 9.051 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.014 -7.160 8.176 1.00 0.00 H new ATOM 0 HH TYR A 14 8.862 -8.118 9.832 1.00 0.00 H new ATOM 208 N GLN A 15 5.093 -3.230 4.599 1.00 0.00 N ATOM 209 CA GLN A 15 3.646 -3.048 4.894 1.00 0.00 C ATOM 210 C GLN A 15 2.840 -3.458 3.665 1.00 0.00 C ATOM 211 O GLN A 15 1.646 -3.675 3.730 1.00 0.00 O ATOM 212 CB GLN A 15 3.369 -1.579 5.224 1.00 0.00 C ATOM 213 CG GLN A 15 2.609 -1.488 6.549 1.00 0.00 C ATOM 214 CD GLN A 15 1.106 -1.596 6.285 1.00 0.00 C ATOM 215 OE1 GLN A 15 0.538 -0.777 5.590 1.00 0.00 O ATOM 216 NE2 GLN A 15 0.432 -2.582 6.813 1.00 0.00 N ATOM 0 H GLN A 15 5.599 -2.375 4.368 1.00 0.00 H new ATOM 0 HA GLN A 15 3.361 -3.664 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.307 -1.027 5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.786 -1.120 4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.929 -2.286 7.219 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.835 -0.544 7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.908 -3.270 7.397 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.570 -2.664 6.642 1.00 0.00 H new ATOM 225 N LEU A 16 3.494 -3.576 2.544 1.00 0.00 N ATOM 226 CA LEU A 16 2.787 -3.981 1.305 1.00 0.00 C ATOM 227 C LEU A 16 2.536 -5.485 1.352 1.00 0.00 C ATOM 228 O LEU A 16 1.663 -6.003 0.685 1.00 0.00 O ATOM 229 CB LEU A 16 3.660 -3.644 0.097 1.00 0.00 C ATOM 230 CG LEU A 16 2.900 -2.707 -0.835 1.00 0.00 C ATOM 231 CD1 LEU A 16 3.830 -1.588 -1.308 1.00 0.00 C ATOM 232 CD2 LEU A 16 2.401 -3.498 -2.042 1.00 0.00 C ATOM 0 H LEU A 16 4.494 -3.408 2.435 1.00 0.00 H new ATOM 0 HA LEU A 16 1.837 -3.452 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.587 -3.174 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.935 -4.556 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 16 2.053 -2.271 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.285 -0.919 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.191 -1.027 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.677 -2.020 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.856 -2.833 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.251 -3.930 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.739 -4.296 -1.706 1.00 0.00 H new ATOM 244 N GLU A 17 3.300 -6.188 2.139 1.00 0.00 N ATOM 245 CA GLU A 17 3.111 -7.660 2.235 1.00 0.00 C ATOM 246 C GLU A 17 1.848 -7.955 3.047 1.00 0.00 C ATOM 247 O GLU A 17 1.323 -9.051 3.020 1.00 0.00 O ATOM 248 CB GLU A 17 4.324 -8.286 2.927 1.00 0.00 C ATOM 249 CG GLU A 17 4.313 -9.799 2.703 1.00 0.00 C ATOM 250 CD GLU A 17 4.839 -10.506 3.953 1.00 0.00 C ATOM 251 OE1 GLU A 17 4.590 -10.009 5.039 1.00 0.00 O ATOM 252 OE2 GLU A 17 5.481 -11.531 3.804 1.00 0.00 O ATOM 0 H GLU A 17 4.047 -5.807 2.720 1.00 0.00 H new ATOM 0 HA GLU A 17 3.008 -8.082 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.244 -7.856 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.302 -8.065 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.301 -10.137 2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.930 -10.054 1.842 1.00 0.00 H new ATOM 259 N ASN A 18 1.358 -6.984 3.769 1.00 0.00 N ATOM 260 CA ASN A 18 0.132 -7.210 4.585 1.00 0.00 C ATOM 261 C ASN A 18 -1.103 -7.178 3.684 1.00 0.00 C ATOM 262 O ASN A 18 -2.195 -7.503 4.103 1.00 0.00 O ATOM 263 CB ASN A 18 0.017 -6.113 5.646 1.00 0.00 C ATOM 264 CG ASN A 18 0.106 -6.740 7.037 1.00 0.00 C ATOM 265 OD1 ASN A 18 0.587 -7.845 7.188 1.00 0.00 O ATOM 266 ND2 ASN A 18 -0.340 -6.076 8.069 1.00 0.00 N ATOM 0 H ASN A 18 1.753 -6.046 3.829 1.00 0.00 H new ATOM 0 HA ASN A 18 0.198 -8.184 5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.813 -5.380 5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.928 -5.582 5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.284 -6.485 9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.744 -5.148 7.943 1.00 0.00 H new ATOM 273 N TYR A 19 -0.943 -6.788 2.449 1.00 0.00 N ATOM 274 CA TYR A 19 -2.114 -6.741 1.532 1.00 0.00 C ATOM 275 C TYR A 19 -2.244 -8.080 0.805 1.00 0.00 C ATOM 276 O TYR A 19 -3.196 -8.316 0.086 1.00 0.00 O ATOM 277 CB TYR A 19 -1.918 -5.619 0.510 1.00 0.00 C ATOM 278 CG TYR A 19 -1.538 -4.342 1.224 1.00 0.00 C ATOM 279 CD1 TYR A 19 -2.167 -3.999 2.429 1.00 0.00 C ATOM 280 CD2 TYR A 19 -0.558 -3.501 0.680 1.00 0.00 C ATOM 281 CE1 TYR A 19 -1.814 -2.814 3.090 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.206 -2.317 1.342 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.834 -1.973 2.546 1.00 0.00 C ATOM 284 OH TYR A 19 -0.487 -0.807 3.197 1.00 0.00 O ATOM 0 H TYR A 19 -0.055 -6.501 2.037 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.020 -6.551 2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.140 -5.894 -0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.834 -5.469 -0.061 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.923 -4.647 2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.074 -3.765 -0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.298 -2.549 4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.550 -1.669 0.924 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.274 -1.006 4.133 1.00 0.00 H new ATOM 294 N CYS A 20 -1.297 -8.963 0.983 1.00 0.00 N ATOM 295 CA CYS A 20 -1.377 -10.284 0.300 1.00 0.00 C ATOM 296 C CYS A 20 -1.772 -11.363 1.312 1.00 0.00 C ATOM 297 O CYS A 20 -1.428 -11.292 2.475 1.00 0.00 O ATOM 298 CB CYS A 20 -0.018 -10.625 -0.322 1.00 0.00 C ATOM 299 SG CYS A 20 1.153 -11.107 0.974 1.00 0.00 S ATOM 0 H CYS A 20 -0.474 -8.826 1.570 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.130 -10.240 -0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.131 -11.436 -1.041 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.367 -9.765 -0.870 1.00 0.00 H new ATOM 304 N ASN A 21 -2.487 -12.364 0.877 1.00 0.00 N ATOM 305 CA ASN A 21 -2.899 -13.448 1.811 1.00 0.00 C ATOM 306 C ASN A 21 -1.700 -13.866 2.665 1.00 0.00 C ATOM 307 O ASN A 21 -0.622 -13.999 2.111 1.00 0.00 O ATOM 308 CB ASN A 21 -3.395 -14.652 1.007 1.00 0.00 C ATOM 309 CG ASN A 21 -4.768 -15.085 1.526 1.00 0.00 C ATOM 310 OD1 ASN A 21 -5.774 -14.498 1.179 1.00 0.00 O ATOM 311 ND2 ASN A 21 -4.852 -16.093 2.349 1.00 0.00 N ATOM 312 OXT ASN A 21 -1.881 -14.047 3.858 1.00 0.00 O ATOM 0 H ASN A 21 -2.804 -12.478 -0.086 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.699 -13.087 2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.459 -14.395 -0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.686 -15.476 1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.762 -16.389 2.702 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.008 -16.585 2.640 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 8.401 -1.829 -4.049 1.00 0.00 N ATOM 321 CA PHE B 1 9.345 -2.168 -2.947 1.00 0.00 C ATOM 322 C PHE B 1 9.325 -1.054 -1.899 1.00 0.00 C ATOM 323 O PHE B 1 8.500 -1.041 -1.008 1.00 0.00 O ATOM 324 CB PHE B 1 10.759 -2.322 -3.513 1.00 0.00 C ATOM 325 CG PHE B 1 10.860 -3.625 -4.269 1.00 0.00 C ATOM 326 CD1 PHE B 1 10.467 -4.823 -3.658 1.00 0.00 C ATOM 327 CD2 PHE B 1 11.349 -3.636 -5.583 1.00 0.00 C ATOM 328 CE1 PHE B 1 10.561 -6.032 -4.360 1.00 0.00 C ATOM 329 CE2 PHE B 1 11.444 -4.845 -6.285 1.00 0.00 C ATOM 330 CZ PHE B 1 11.051 -6.043 -5.673 1.00 0.00 C ATOM 0 H1 PHE B 1 8.697 -2.313 -4.921 1.00 0.00 H new ATOM 0 H2 PHE B 1 7.442 -2.137 -3.791 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.405 -0.801 -4.205 1.00 0.00 H new ATOM 0 HA PHE B 1 9.041 -3.106 -2.482 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.990 -1.487 -4.174 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.490 -2.301 -2.705 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.091 -4.815 -2.645 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.652 -2.713 -6.054 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.256 -6.955 -3.889 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.820 -4.854 -7.297 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.126 -6.975 -6.213 1.00 0.00 H new ATOM 342 N VAL B 2 10.228 -0.121 -1.997 1.00 0.00 N ATOM 343 CA VAL B 2 10.261 0.991 -1.006 1.00 0.00 C ATOM 344 C VAL B 2 10.574 2.304 -1.726 1.00 0.00 C ATOM 345 O VAL B 2 11.007 2.313 -2.861 1.00 0.00 O ATOM 346 CB VAL B 2 11.345 0.711 0.035 1.00 0.00 C ATOM 347 CG1 VAL B 2 10.989 -0.556 0.815 1.00 0.00 C ATOM 348 CG2 VAL B 2 12.689 0.514 -0.671 1.00 0.00 C ATOM 0 H VAL B 2 10.946 -0.079 -2.721 1.00 0.00 H new ATOM 0 HA VAL B 2 9.293 1.068 -0.512 1.00 0.00 H new ATOM 0 HB VAL B 2 11.415 1.553 0.723 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.762 -0.756 1.557 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.031 -0.417 1.317 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.920 -1.399 0.128 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.463 0.314 0.070 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.619 -0.329 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.943 1.416 -1.227 1.00 0.00 H new ATOM 358 N ASN B 3 10.360 3.413 -1.074 1.00 0.00 N ATOM 359 CA ASN B 3 10.647 4.724 -1.722 1.00 0.00 C ATOM 360 C ASN B 3 9.988 4.767 -3.102 1.00 0.00 C ATOM 361 O ASN B 3 10.503 5.360 -4.028 1.00 0.00 O ATOM 362 CB ASN B 3 12.160 4.894 -1.876 1.00 0.00 C ATOM 363 CG ASN B 3 12.846 4.607 -0.539 1.00 0.00 C ATOM 364 OD1 ASN B 3 12.453 3.707 0.178 1.00 0.00 O ATOM 365 ND2 ASN B 3 13.861 5.338 -0.170 1.00 0.00 N ATOM 0 H ASN B 3 9.999 3.469 -0.122 1.00 0.00 H new ATOM 0 HA ASN B 3 10.250 5.529 -1.104 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.536 4.216 -2.642 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.391 5.907 -2.205 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.325 5.155 0.720 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.191 6.093 -0.771 1.00 0.00 H new ATOM 372 N GLN B 4 8.852 4.143 -3.248 1.00 0.00 N ATOM 373 CA GLN B 4 8.163 4.149 -4.569 1.00 0.00 C ATOM 374 C GLN B 4 6.661 4.349 -4.360 1.00 0.00 C ATOM 375 O GLN B 4 6.120 4.031 -3.319 1.00 0.00 O ATOM 376 CB GLN B 4 8.409 2.818 -5.281 1.00 0.00 C ATOM 377 CG GLN B 4 8.021 2.946 -6.754 1.00 0.00 C ATOM 378 CD GLN B 4 8.747 4.144 -7.372 1.00 0.00 C ATOM 379 OE1 GLN B 4 8.301 5.267 -7.250 1.00 0.00 O ATOM 380 NE2 GLN B 4 9.854 3.950 -8.035 1.00 0.00 N ATOM 0 H GLN B 4 8.371 3.629 -2.510 1.00 0.00 H new ATOM 0 HA GLN B 4 8.555 4.963 -5.179 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.458 2.536 -5.194 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.826 2.028 -4.808 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.282 2.033 -7.290 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.942 3.073 -6.847 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.229 3.007 -8.137 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.345 4.742 -8.451 1.00 0.00 H new ATOM 389 N HIS B 5 5.981 4.876 -5.343 1.00 0.00 N ATOM 390 CA HIS B 5 4.514 5.097 -5.198 1.00 0.00 C ATOM 391 C HIS B 5 3.755 3.955 -5.877 1.00 0.00 C ATOM 392 O HIS B 5 4.057 3.569 -6.988 1.00 0.00 O ATOM 393 CB HIS B 5 4.127 6.422 -5.858 1.00 0.00 C ATOM 394 CG HIS B 5 4.916 7.542 -5.238 1.00 0.00 C ATOM 395 ND1 HIS B 5 4.311 8.493 -4.444 1.00 0.00 N ATOM 396 CD2 HIS B 5 6.246 7.850 -5.305 1.00 0.00 C ATOM 397 CE1 HIS B 5 5.275 9.340 -4.058 1.00 0.00 C ATOM 398 NE2 HIS B 5 6.476 8.988 -4.561 1.00 0.00 N ATOM 0 H HIS B 5 6.377 5.162 -6.238 1.00 0.00 H new ATOM 0 HA HIS B 5 4.258 5.128 -4.139 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.321 6.377 -6.930 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.059 6.604 -5.734 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.994 7.294 -5.851 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.111 10.198 -3.423 1.00 0.00 H new ATOM 0 HE2 HIS B 5 7.367 9.464 -4.421 1.00 0.00 H new ATOM 406 N LEU B 6 2.769 3.414 -5.216 1.00 0.00 N ATOM 407 CA LEU B 6 1.988 2.301 -5.818 1.00 0.00 C ATOM 408 C LEU B 6 0.594 2.808 -6.196 1.00 0.00 C ATOM 409 O LEU B 6 0.037 3.663 -5.536 1.00 0.00 O ATOM 410 CB LEU B 6 1.866 1.171 -4.798 1.00 0.00 C ATOM 411 CG LEU B 6 2.887 0.079 -5.116 1.00 0.00 C ATOM 412 CD1 LEU B 6 2.512 -0.602 -6.433 1.00 0.00 C ATOM 413 CD2 LEU B 6 4.278 0.705 -5.243 1.00 0.00 C ATOM 0 H LEU B 6 2.471 3.697 -4.282 1.00 0.00 H new ATOM 0 HA LEU B 6 2.492 1.933 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.032 1.556 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.858 0.757 -4.818 1.00 0.00 H new ATOM 0 HG LEU B 6 2.892 -0.660 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.240 -1.381 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.521 -1.047 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.507 0.136 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.008 -0.072 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.273 1.443 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.545 1.191 -4.305 1.00 0.00 H new ATOM 425 N CYS B 7 0.023 2.293 -7.253 1.00 0.00 N ATOM 426 CA CYS B 7 -1.332 2.760 -7.662 1.00 0.00 C ATOM 427 C CYS B 7 -1.853 1.904 -8.822 1.00 0.00 C ATOM 428 O CYS B 7 -1.104 1.487 -9.684 1.00 0.00 O ATOM 429 CB CYS B 7 -1.246 4.219 -8.111 1.00 0.00 C ATOM 430 SG CYS B 7 -2.748 5.097 -7.613 1.00 0.00 S ATOM 0 H CYS B 7 0.434 1.573 -7.847 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.014 2.670 -6.816 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.371 4.695 -7.669 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.124 4.270 -9.193 1.00 0.00 H new ATOM 435 N GLY B 8 -3.134 1.652 -8.854 1.00 0.00 N ATOM 436 CA GLY B 8 -3.712 0.834 -9.962 1.00 0.00 C ATOM 437 C GLY B 8 -3.276 -0.623 -9.818 1.00 0.00 C ATOM 438 O GLY B 8 -2.930 -1.078 -8.746 1.00 0.00 O ATOM 0 H GLY B 8 -3.807 1.977 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.800 0.900 -9.945 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.384 1.227 -10.924 1.00 0.00 H new ATOM 442 N SER B 9 -3.285 -1.361 -10.898 1.00 0.00 N ATOM 443 CA SER B 9 -2.870 -2.791 -10.831 1.00 0.00 C ATOM 444 C SER B 9 -1.444 -2.879 -10.292 1.00 0.00 C ATOM 445 O SER B 9 -0.991 -3.926 -9.876 1.00 0.00 O ATOM 446 CB SER B 9 -2.928 -3.405 -12.230 1.00 0.00 C ATOM 447 OG SER B 9 -3.062 -4.816 -12.119 1.00 0.00 O ATOM 0 H SER B 9 -3.562 -1.033 -11.823 1.00 0.00 H new ATOM 0 HA SER B 9 -3.543 -3.336 -10.169 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.769 -2.991 -12.787 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.024 -3.157 -12.786 1.00 0.00 H new ATOM 0 HG SER B 9 -3.101 -5.212 -13.014 1.00 0.00 H new ATOM 453 N ASP B 10 -0.733 -1.784 -10.282 1.00 0.00 N ATOM 454 CA ASP B 10 0.649 -1.806 -9.757 1.00 0.00 C ATOM 455 C ASP B 10 0.617 -2.380 -8.344 1.00 0.00 C ATOM 456 O ASP B 10 1.592 -2.913 -7.852 1.00 0.00 O ATOM 457 CB ASP B 10 1.184 -0.377 -9.727 1.00 0.00 C ATOM 458 CG ASP B 10 1.291 0.161 -11.156 1.00 0.00 C ATOM 459 OD1 ASP B 10 0.273 0.207 -11.828 1.00 0.00 O ATOM 460 OD2 ASP B 10 2.388 0.519 -11.553 1.00 0.00 O ATOM 0 H ASP B 10 -1.056 -0.876 -10.617 1.00 0.00 H new ATOM 0 HA ASP B 10 1.294 -2.419 -10.387 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.522 0.258 -9.137 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.161 -0.354 -9.245 1.00 0.00 H new ATOM 465 N LEU B 11 -0.511 -2.284 -7.694 1.00 0.00 N ATOM 466 CA LEU B 11 -0.633 -2.830 -6.319 1.00 0.00 C ATOM 467 C LEU B 11 -0.473 -4.348 -6.379 1.00 0.00 C ATOM 468 O LEU B 11 0.259 -4.938 -5.610 1.00 0.00 O ATOM 469 CB LEU B 11 -2.012 -2.477 -5.761 1.00 0.00 C ATOM 470 CG LEU B 11 -1.897 -1.256 -4.848 1.00 0.00 C ATOM 471 CD1 LEU B 11 -1.146 -1.637 -3.573 1.00 0.00 C ATOM 472 CD2 LEU B 11 -1.137 -0.151 -5.580 1.00 0.00 C ATOM 0 H LEU B 11 -1.356 -1.848 -8.062 1.00 0.00 H new ATOM 0 HA LEU B 11 0.136 -2.405 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.704 -2.270 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.418 -3.322 -5.206 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.894 -0.902 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.065 -0.765 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.688 -2.427 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.148 -1.991 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.052 0.722 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.141 -0.507 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.675 0.121 -6.488 1.00 0.00 H new ATOM 484 N VAL B 12 -1.144 -4.983 -7.301 1.00 0.00 N ATOM 485 CA VAL B 12 -1.019 -6.460 -7.420 1.00 0.00 C ATOM 486 C VAL B 12 0.405 -6.794 -7.848 1.00 0.00 C ATOM 487 O VAL B 12 0.866 -7.906 -7.691 1.00 0.00 O ATOM 488 CB VAL B 12 -2.009 -6.978 -8.463 1.00 0.00 C ATOM 489 CG1 VAL B 12 -3.412 -6.497 -8.104 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.625 -6.444 -9.844 1.00 0.00 C ATOM 0 H VAL B 12 -1.771 -4.543 -7.974 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.239 -6.932 -6.462 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.987 -8.068 -8.479 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.123 -6.863 -8.845 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.686 -6.876 -7.119 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.431 -5.407 -8.091 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.332 -6.814 -10.587 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.649 -5.354 -9.832 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.621 -6.782 -10.099 1.00 0.00 H new ATOM 500 N GLU B 13 1.116 -5.828 -8.365 1.00 0.00 N ATOM 501 CA GLU B 13 2.521 -6.081 -8.777 1.00 0.00 C ATOM 502 C GLU B 13 3.362 -6.130 -7.511 1.00 0.00 C ATOM 503 O GLU B 13 4.068 -7.083 -7.250 1.00 0.00 O ATOM 504 CB GLU B 13 3.010 -4.947 -9.680 1.00 0.00 C ATOM 505 CG GLU B 13 4.102 -5.473 -10.613 1.00 0.00 C ATOM 506 CD GLU B 13 4.767 -4.298 -11.330 1.00 0.00 C ATOM 507 OE1 GLU B 13 5.208 -3.386 -10.648 1.00 0.00 O ATOM 508 OE2 GLU B 13 4.824 -4.327 -12.547 1.00 0.00 O ATOM 0 H GLU B 13 0.782 -4.876 -8.519 1.00 0.00 H new ATOM 0 HA GLU B 13 2.599 -7.017 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.180 -4.548 -10.263 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.397 -4.127 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.844 -6.033 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.673 -6.162 -11.341 1.00 0.00 H new ATOM 515 N ALA B 14 3.263 -5.117 -6.700 1.00 0.00 N ATOM 516 CA ALA B 14 4.021 -5.110 -5.429 1.00 0.00 C ATOM 517 C ALA B 14 3.638 -6.367 -4.651 1.00 0.00 C ATOM 518 O ALA B 14 4.436 -6.951 -3.942 1.00 0.00 O ATOM 519 CB ALA B 14 3.637 -3.869 -4.627 1.00 0.00 C ATOM 0 H ALA B 14 2.687 -4.292 -6.866 1.00 0.00 H new ATOM 0 HA ALA B 14 5.095 -5.094 -5.615 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.191 -3.856 -3.689 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.877 -2.975 -5.203 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.568 -3.888 -4.416 1.00 0.00 H new ATOM 525 N LEU B 15 2.411 -6.792 -4.796 1.00 0.00 N ATOM 526 CA LEU B 15 1.953 -8.016 -4.089 1.00 0.00 C ATOM 527 C LEU B 15 2.430 -9.240 -4.863 1.00 0.00 C ATOM 528 O LEU B 15 2.971 -10.174 -4.306 1.00 0.00 O ATOM 529 CB LEU B 15 0.425 -8.025 -4.016 1.00 0.00 C ATOM 530 CG LEU B 15 -0.060 -6.764 -3.301 1.00 0.00 C ATOM 531 CD1 LEU B 15 -1.556 -6.569 -3.562 1.00 0.00 C ATOM 532 CD2 LEU B 15 0.181 -6.915 -1.797 1.00 0.00 C ATOM 0 H LEU B 15 1.705 -6.339 -5.377 1.00 0.00 H new ATOM 0 HA LEU B 15 2.361 -8.032 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.003 -8.072 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.081 -8.912 -3.484 1.00 0.00 H new ATOM 0 HG LEU B 15 0.486 -5.898 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.900 -5.670 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.728 -6.467 -4.633 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.106 -7.432 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.163 -6.018 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.368 -7.780 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.246 -7.054 -1.611 1.00 0.00 H new ATOM 544 N TYR B 16 2.230 -9.228 -6.147 1.00 0.00 N ATOM 545 CA TYR B 16 2.663 -10.376 -6.996 1.00 0.00 C ATOM 546 C TYR B 16 4.014 -10.903 -6.519 1.00 0.00 C ATOM 547 O TYR B 16 4.317 -12.072 -6.649 1.00 0.00 O ATOM 548 CB TYR B 16 2.832 -9.903 -8.439 1.00 0.00 C ATOM 549 CG TYR B 16 2.022 -10.782 -9.359 1.00 0.00 C ATOM 550 CD1 TYR B 16 2.324 -12.144 -9.470 1.00 0.00 C ATOM 551 CD2 TYR B 16 0.967 -10.234 -10.102 1.00 0.00 C ATOM 552 CE1 TYR B 16 1.573 -12.961 -10.324 1.00 0.00 C ATOM 553 CE2 TYR B 16 0.216 -11.051 -10.957 1.00 0.00 C ATOM 554 CZ TYR B 16 0.519 -12.415 -11.068 1.00 0.00 C ATOM 555 OH TYR B 16 -0.220 -13.221 -11.910 1.00 0.00 O ATOM 0 H TYR B 16 1.780 -8.465 -6.654 1.00 0.00 H new ATOM 0 HA TYR B 16 1.909 -11.160 -6.929 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.509 -8.866 -8.533 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.884 -9.935 -8.722 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.137 -12.565 -8.897 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.733 -9.183 -10.015 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.806 -14.012 -10.409 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.596 -10.630 -11.531 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.913 -12.686 -12.350 1.00 0.00 H new ATOM 565 N LEU B 17 4.843 -10.044 -6.005 1.00 0.00 N ATOM 566 CA LEU B 17 6.187 -10.488 -5.563 1.00 0.00 C ATOM 567 C LEU B 17 6.191 -10.825 -4.069 1.00 0.00 C ATOM 568 O LEU B 17 6.488 -11.937 -3.683 1.00 0.00 O ATOM 569 CB LEU B 17 7.223 -9.391 -5.838 1.00 0.00 C ATOM 570 CG LEU B 17 6.625 -8.249 -6.668 1.00 0.00 C ATOM 571 CD1 LEU B 17 7.703 -7.195 -6.930 1.00 0.00 C ATOM 572 CD2 LEU B 17 6.128 -8.802 -8.005 1.00 0.00 C ATOM 0 H LEU B 17 4.647 -9.052 -5.872 1.00 0.00 H new ATOM 0 HA LEU B 17 6.445 -11.385 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.598 -8.998 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.076 -9.818 -6.366 1.00 0.00 H new ATOM 0 HG LEU B 17 5.795 -7.798 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.281 -6.382 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.067 -6.803 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.530 -7.648 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.702 -7.993 -8.598 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.962 -9.248 -8.547 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.365 -9.560 -7.824 1.00 0.00 H new ATOM 584 N VAL B 18 5.888 -9.877 -3.226 1.00 0.00 N ATOM 585 CA VAL B 18 5.901 -10.160 -1.758 1.00 0.00 C ATOM 586 C VAL B 18 5.259 -11.515 -1.483 1.00 0.00 C ATOM 587 O VAL B 18 5.791 -12.339 -0.768 1.00 0.00 O ATOM 588 CB VAL B 18 5.129 -9.074 -1.012 1.00 0.00 C ATOM 589 CG1 VAL B 18 5.777 -7.717 -1.273 1.00 0.00 C ATOM 590 CG2 VAL B 18 3.684 -9.045 -1.500 1.00 0.00 C ATOM 0 H VAL B 18 5.633 -8.924 -3.485 1.00 0.00 H new ATOM 0 HA VAL B 18 6.935 -10.173 -1.412 1.00 0.00 H new ATOM 0 HB VAL B 18 5.148 -9.289 0.056 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.226 -6.942 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.809 -7.733 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.759 -7.505 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.135 -8.269 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.665 -8.833 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.218 -10.013 -1.314 1.00 0.00 H new ATOM 600 N CYS B 19 4.117 -11.743 -2.048 1.00 0.00 N ATOM 601 CA CYS B 19 3.415 -13.036 -1.837 1.00 0.00 C ATOM 602 C CYS B 19 3.428 -13.830 -3.144 1.00 0.00 C ATOM 603 O CYS B 19 4.032 -14.880 -3.240 1.00 0.00 O ATOM 604 CB CYS B 19 1.973 -12.758 -1.419 1.00 0.00 C ATOM 605 SG CYS B 19 1.822 -12.917 0.378 1.00 0.00 S ATOM 0 H CYS B 19 3.630 -11.083 -2.655 1.00 0.00 H new ATOM 0 HA CYS B 19 3.915 -13.611 -1.057 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.680 -11.756 -1.732 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.299 -13.457 -1.914 1.00 0.00 H new ATOM 610 N GLY B 20 2.774 -13.330 -4.157 1.00 0.00 N ATOM 611 CA GLY B 20 2.758 -14.049 -5.462 1.00 0.00 C ATOM 612 C GLY B 20 1.559 -14.998 -5.521 1.00 0.00 C ATOM 613 O GLY B 20 0.431 -14.604 -5.304 1.00 0.00 O ATOM 0 H GLY B 20 2.250 -12.455 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.706 -13.332 -6.281 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.684 -14.611 -5.589 1.00 0.00 H new ATOM 617 N GLU B 21 1.798 -16.245 -5.823 1.00 0.00 N ATOM 618 CA GLU B 21 0.676 -17.223 -5.905 1.00 0.00 C ATOM 619 C GLU B 21 -0.118 -17.212 -4.599 1.00 0.00 C ATOM 620 O GLU B 21 -1.241 -17.670 -4.541 1.00 0.00 O ATOM 621 CB GLU B 21 1.242 -18.623 -6.147 1.00 0.00 C ATOM 622 CG GLU B 21 0.908 -19.071 -7.570 1.00 0.00 C ATOM 623 CD GLU B 21 1.346 -20.523 -7.765 1.00 0.00 C ATOM 624 OE1 GLU B 21 1.465 -21.224 -6.773 1.00 0.00 O ATOM 625 OE2 GLU B 21 1.556 -20.911 -8.903 1.00 0.00 O ATOM 0 H GLU B 21 2.723 -16.629 -6.017 1.00 0.00 H new ATOM 0 HA GLU B 21 0.016 -16.947 -6.727 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.322 -18.620 -6.000 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.824 -19.325 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -0.163 -18.976 -7.750 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.411 -18.428 -8.292 1.00 0.00 H new ATOM 632 N ARG B 22 0.456 -16.695 -3.551 1.00 0.00 N ATOM 633 CA ARG B 22 -0.267 -16.655 -2.250 1.00 0.00 C ATOM 634 C ARG B 22 -1.679 -16.111 -2.468 1.00 0.00 C ATOM 635 O ARG B 22 -2.583 -16.371 -1.698 1.00 0.00 O ATOM 636 CB ARG B 22 0.490 -15.752 -1.273 1.00 0.00 C ATOM 637 CG ARG B 22 0.952 -16.578 -0.071 1.00 0.00 C ATOM 638 CD ARG B 22 -0.261 -17.235 0.588 1.00 0.00 C ATOM 639 NE ARG B 22 0.125 -17.777 1.923 1.00 0.00 N ATOM 640 CZ ARG B 22 0.903 -17.085 2.710 1.00 0.00 C ATOM 641 NH1 ARG B 22 0.422 -16.075 3.383 1.00 0.00 N ATOM 642 NH2 ARG B 22 2.162 -17.406 2.828 1.00 0.00 N ATOM 0 H ARG B 22 1.395 -16.298 -3.538 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.329 -17.661 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.349 -15.300 -1.769 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.153 -14.936 -0.942 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.663 -17.340 -0.391 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.469 -15.940 0.646 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.065 -16.508 0.699 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.641 -18.037 -0.045 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.219 -18.690 2.221 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.563 -15.826 3.294 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.031 -15.535 3.998 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.538 -18.197 2.305 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.771 -16.866 3.443 1.00 0.00 H new ATOM 656 N GLY B 23 -1.876 -15.363 -3.515 1.00 0.00 N ATOM 657 CA GLY B 23 -3.228 -14.804 -3.794 1.00 0.00 C ATOM 658 C GLY B 23 -3.412 -13.495 -3.025 1.00 0.00 C ATOM 659 O GLY B 23 -3.928 -13.477 -1.925 1.00 0.00 O ATOM 0 H GLY B 23 -1.156 -15.113 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.346 -14.629 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.996 -15.520 -3.501 1.00 0.00 H new ATOM 663 N PHE B 24 -2.992 -12.397 -3.595 1.00 0.00 N ATOM 664 CA PHE B 24 -3.141 -11.093 -2.898 1.00 0.00 C ATOM 665 C PHE B 24 -4.594 -10.623 -2.989 1.00 0.00 C ATOM 666 O PHE B 24 -5.223 -10.713 -4.025 1.00 0.00 O ATOM 667 CB PHE B 24 -2.227 -10.060 -3.557 1.00 0.00 C ATOM 668 CG PHE B 24 -2.246 -10.232 -5.056 1.00 0.00 C ATOM 669 CD1 PHE B 24 -3.297 -9.692 -5.810 1.00 0.00 C ATOM 670 CD2 PHE B 24 -1.214 -10.932 -5.694 1.00 0.00 C ATOM 671 CE1 PHE B 24 -3.314 -9.851 -7.202 1.00 0.00 C ATOM 672 CE2 PHE B 24 -1.231 -11.091 -7.086 1.00 0.00 C ATOM 673 CZ PHE B 24 -2.282 -10.552 -7.841 1.00 0.00 C ATOM 0 H PHE B 24 -2.552 -12.350 -4.514 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.866 -11.208 -1.850 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.554 -9.054 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.209 -10.172 -3.183 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.094 -9.153 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.405 -11.349 -5.113 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.123 -9.433 -7.783 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.434 -11.629 -7.578 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.297 -10.677 -8.914 1.00 0.00 H new ATOM 683 N PHE B 25 -5.135 -10.129 -1.908 1.00 0.00 N ATOM 684 CA PHE B 25 -6.539 -9.663 -1.918 1.00 0.00 C ATOM 685 C PHE B 25 -6.586 -8.156 -2.186 1.00 0.00 C ATOM 686 O PHE B 25 -7.411 -7.449 -1.642 1.00 0.00 O ATOM 687 CB PHE B 25 -7.156 -9.956 -0.554 1.00 0.00 C ATOM 688 CG PHE B 25 -6.429 -9.172 0.514 1.00 0.00 C ATOM 689 CD1 PHE B 25 -5.288 -9.708 1.125 1.00 0.00 C ATOM 690 CD2 PHE B 25 -6.899 -7.907 0.898 1.00 0.00 C ATOM 691 CE1 PHE B 25 -4.615 -8.981 2.118 1.00 0.00 C ATOM 692 CE2 PHE B 25 -6.227 -7.180 1.889 1.00 0.00 C ATOM 693 CZ PHE B 25 -5.085 -7.718 2.499 1.00 0.00 C ATOM 0 H PHE B 25 -4.655 -10.030 -1.014 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.094 -10.178 -2.702 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.213 -9.690 -0.558 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.097 -11.023 -0.339 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -4.926 -10.682 0.831 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.780 -7.493 0.429 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -3.735 -9.395 2.588 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -6.588 -6.206 2.183 1.00 0.00 H new ATOM 0 HZ PHE B 25 -4.567 -7.158 3.264 1.00 0.00 H new ATOM 703 N TYR B 26 -5.711 -7.656 -3.016 1.00 0.00 N ATOM 704 CA TYR B 26 -5.722 -6.195 -3.305 1.00 0.00 C ATOM 705 C TYR B 26 -7.160 -5.753 -3.571 1.00 0.00 C ATOM 706 O TYR B 26 -8.066 -6.555 -3.682 1.00 0.00 O ATOM 707 CB TYR B 26 -4.833 -5.904 -4.524 1.00 0.00 C ATOM 708 CG TYR B 26 -5.213 -4.597 -5.184 1.00 0.00 C ATOM 709 CD1 TYR B 26 -4.685 -3.387 -4.711 1.00 0.00 C ATOM 710 CD2 TYR B 26 -6.097 -4.597 -6.271 1.00 0.00 C ATOM 711 CE1 TYR B 26 -5.045 -2.179 -5.325 1.00 0.00 C ATOM 712 CE2 TYR B 26 -6.455 -3.390 -6.884 1.00 0.00 C ATOM 713 CZ TYR B 26 -5.929 -2.181 -6.411 1.00 0.00 C ATOM 714 OH TYR B 26 -6.283 -0.991 -7.015 1.00 0.00 O ATOM 0 H TYR B 26 -4.994 -8.193 -3.503 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.330 -5.641 -2.452 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.789 -5.867 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.923 -6.717 -5.244 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.002 -3.386 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.503 -5.529 -6.636 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.640 -1.247 -4.960 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.137 -3.391 -7.722 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.260 -0.929 -7.068 1.00 0.00 H new ATOM 724 N THR B 27 -7.364 -4.478 -3.653 1.00 0.00 N ATOM 725 CA THR B 27 -8.728 -3.938 -3.891 1.00 0.00 C ATOM 726 C THR B 27 -9.077 -4.025 -5.380 1.00 0.00 C ATOM 727 O THR B 27 -8.634 -4.911 -6.082 1.00 0.00 O ATOM 728 CB THR B 27 -8.770 -2.473 -3.442 1.00 0.00 C ATOM 729 OG1 THR B 27 -8.480 -1.628 -4.546 1.00 0.00 O ATOM 730 CG2 THR B 27 -7.742 -2.231 -2.332 1.00 0.00 C ATOM 0 H THR B 27 -6.634 -3.771 -3.564 1.00 0.00 H new ATOM 0 HA THR B 27 -9.452 -4.523 -3.324 1.00 0.00 H new ATOM 0 HB THR B 27 -9.766 -2.249 -3.060 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.644 -1.917 -4.968 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.781 -1.187 -2.021 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.969 -2.872 -1.480 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.744 -2.462 -2.704 1.00 0.00 H new ATOM 738 N LYS B 28 -9.872 -3.107 -5.863 1.00 0.00 N ATOM 739 CA LYS B 28 -10.253 -3.130 -7.303 1.00 0.00 C ATOM 740 C LYS B 28 -10.072 -1.724 -7.893 1.00 0.00 C ATOM 741 O LYS B 28 -9.582 -0.834 -7.226 1.00 0.00 O ATOM 742 CB LYS B 28 -11.712 -3.575 -7.434 1.00 0.00 C ATOM 743 CG LYS B 28 -11.798 -4.819 -8.323 1.00 0.00 C ATOM 744 CD LYS B 28 -12.522 -5.936 -7.572 1.00 0.00 C ATOM 745 CE LYS B 28 -13.782 -6.335 -8.341 1.00 0.00 C ATOM 746 NZ LYS B 28 -14.658 -7.165 -7.467 1.00 0.00 N ATOM 0 H LYS B 28 -10.274 -2.342 -5.321 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.619 -3.831 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.125 -3.792 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.310 -2.770 -7.861 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.329 -4.583 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.798 -5.146 -8.606 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.864 -6.798 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.786 -5.602 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.318 -5.444 -8.669 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.512 -6.893 -9.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.515 -7.436 -7.991 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.146 -8.022 -7.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.926 -6.618 -6.624 1.00 0.00 H new ATOM 760 N PRO B 29 -10.451 -1.575 -9.136 1.00 0.00 N ATOM 761 CA PRO B 29 -10.321 -0.305 -9.865 1.00 0.00 C ATOM 762 C PRO B 29 -11.543 0.586 -9.620 1.00 0.00 C ATOM 763 O PRO B 29 -11.909 1.395 -10.449 1.00 0.00 O ATOM 764 CB PRO B 29 -10.258 -0.754 -11.328 1.00 0.00 C ATOM 765 CG PRO B 29 -10.918 -2.158 -11.390 1.00 0.00 C ATOM 766 CD PRO B 29 -11.039 -2.659 -9.937 1.00 0.00 C ATOM 0 HA PRO B 29 -9.456 0.284 -9.559 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.784 -0.050 -11.972 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -9.226 -0.795 -11.677 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.899 -2.103 -11.863 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.314 -2.843 -11.986 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.078 -2.839 -9.662 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.504 -3.597 -9.793 1.00 0.00 H new ATOM 774 N THR B 30 -12.176 0.445 -8.488 1.00 0.00 N ATOM 775 CA THR B 30 -13.371 1.285 -8.195 1.00 0.00 C ATOM 776 C THR B 30 -13.361 1.688 -6.719 1.00 0.00 C ATOM 777 O THR B 30 -13.137 2.856 -6.446 1.00 0.00 O ATOM 778 CB THR B 30 -14.642 0.485 -8.497 1.00 0.00 C ATOM 779 OG1 THR B 30 -14.405 -0.378 -9.600 1.00 0.00 O ATOM 780 CG2 THR B 30 -15.784 1.446 -8.833 1.00 0.00 C ATOM 781 OXT THR B 30 -13.579 0.822 -5.887 1.00 0.00 O ATOM 0 H THR B 30 -11.918 -0.215 -7.754 1.00 0.00 H new ATOM 0 HA THR B 30 -13.348 2.180 -8.816 1.00 0.00 H new ATOM 0 HB THR B 30 -14.915 -0.108 -7.624 1.00 0.00 H new ATOM 0 HG1 THR B 30 -15.217 -0.892 -9.794 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.688 0.876 -9.048 1.00 0.00 H new ATOM 0 HG22 THR B 30 -15.965 2.107 -7.985 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.514 2.041 -9.706 1.00 0.00 H new TER 789 THR B 30