USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 514 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 42 ASN : amide:sc= 0 X(o=1.5,f=1.4) USER MOD Set 1.2: A 44 CYS SG : rot 125:sc= 0.907 USER MOD Set 1.3: A 54 CYS SG : rot 148:sc= 0.307 USER MOD Set 1.4: A 57 CYS SG : rot 150:sc= 0.337 USER MOD Set 2.1: A 2 CYS SG : rot -152:sc= 0.787 USER MOD Set 2.2: A 5 CYS SG : rot -101:sc= 0.682 USER MOD Set 2.3: A 19 CYS SG : rot -123:sc= 0.523 USER MOD Set 2.4: A 21 SER OG : rot -13:sc= 0.313 USER MOD Set 2.5: A 22 CYS SG : rot 150:sc= 0.438 USER MOD Single : A 1 LEU N :NH3+ -149:sc= 0 (180deg=-0.221) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0.0657 USER MOD Single : A 13 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.36) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.694) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HE2:sc= -2.16 K(o=-2.2,f=-0.55) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 110:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.798) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.56) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 113:sc= 0.369 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl -162:sc= -1.19 (180deg=-1.63) USER MOD Single : A 68 ASN : amide:sc= -0.714 K(o=-0.71,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.752 5.733 4.464 1.00 0.00 N ATOM 2 CA LEU A 1 10.357 6.138 4.279 1.00 0.00 C ATOM 3 C LEU A 1 9.628 5.163 3.402 1.00 0.00 C ATOM 4 O LEU A 1 10.168 4.671 2.412 1.00 0.00 O ATOM 5 CB LEU A 1 10.256 7.533 3.602 1.00 0.00 C ATOM 6 CG LEU A 1 10.836 8.725 4.403 1.00 0.00 C ATOM 7 CD1 LEU A 1 10.833 10.011 3.554 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.119 8.942 5.748 1.00 0.00 C ATOM 0 H1 LEU A 1 12.082 6.042 5.400 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.825 4.698 4.396 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.341 6.171 3.727 1.00 0.00 H new ATOM 0 HA LEU A 1 9.910 6.170 5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.767 7.485 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.206 7.738 3.395 1.00 0.00 H new ATOM 0 HG LEU A 1 11.869 8.472 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.245 10.834 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 1 11.441 9.860 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.811 10.251 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.567 9.790 6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.063 9.143 5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.219 8.047 6.362 1.00 0.00 H new ATOM 22 N CYS A 2 8.319 4.931 3.731 1.00 0.00 N ATOM 23 CA CYS A 2 7.316 4.121 3.072 1.00 0.00 C ATOM 24 C CYS A 2 7.115 4.822 1.769 1.00 0.00 C ATOM 25 O CYS A 2 7.021 6.044 1.755 1.00 0.00 O ATOM 26 CB CYS A 2 6.006 3.994 3.908 1.00 0.00 C ATOM 27 SG CYS A 2 4.693 3.027 3.086 1.00 0.00 S ATOM 0 H CYS A 2 7.926 5.371 4.563 1.00 0.00 H new ATOM 0 HA CYS A 2 7.625 3.084 2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.241 3.528 4.865 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.627 4.993 4.124 1.00 0.00 H new ATOM 0 HG CYS A 2 3.530 3.430 3.505 1.00 0.00 H new ATOM 32 N LEU A 3 7.071 4.070 0.650 1.00 0.00 N ATOM 33 CA LEU A 3 6.986 4.679 -0.650 1.00 0.00 C ATOM 34 C LEU A 3 5.613 4.537 -1.230 1.00 0.00 C ATOM 35 O LEU A 3 5.394 4.648 -2.436 1.00 0.00 O ATOM 36 CB LEU A 3 7.998 4.046 -1.606 1.00 0.00 C ATOM 37 CG LEU A 3 9.462 4.376 -1.238 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.461 3.511 -2.024 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.793 5.874 -1.396 1.00 0.00 C ATOM 0 H LEU A 3 7.094 3.050 0.642 1.00 0.00 H new ATOM 0 HA LEU A 3 7.209 5.739 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.864 2.964 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.797 4.391 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 3 9.565 4.134 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.478 3.776 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.283 2.458 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.331 3.685 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.834 6.047 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.634 6.175 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.145 6.460 -0.744 1.00 0.00 H new ATOM 51 N VAL A 4 4.659 4.296 -0.326 1.00 0.00 N ATOM 52 CA VAL A 4 3.269 4.095 -0.614 1.00 0.00 C ATOM 53 C VAL A 4 2.483 5.166 0.049 1.00 0.00 C ATOM 54 O VAL A 4 1.877 5.989 -0.630 1.00 0.00 O ATOM 55 CB VAL A 4 2.756 2.703 -0.163 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.317 2.424 -0.631 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.765 1.603 -0.526 1.00 0.00 C ATOM 0 H VAL A 4 4.864 4.236 0.671 1.00 0.00 H new ATOM 0 HA VAL A 4 3.143 4.137 -1.696 1.00 0.00 H new ATOM 0 HB VAL A 4 2.687 2.703 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.008 1.437 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.647 3.178 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.275 2.460 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.382 0.636 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.914 1.588 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.715 1.803 -0.031 1.00 0.00 H new ATOM 67 N CYS A 5 2.442 5.138 1.398 1.00 0.00 N ATOM 68 CA CYS A 5 1.652 6.060 2.178 1.00 0.00 C ATOM 69 C CYS A 5 2.566 7.056 2.821 1.00 0.00 C ATOM 70 O CYS A 5 2.176 7.736 3.765 1.00 0.00 O ATOM 71 CB CYS A 5 0.685 5.378 3.193 1.00 0.00 C ATOM 72 SG CYS A 5 1.418 4.415 4.576 1.00 0.00 S ATOM 0 H CYS A 5 2.964 4.466 1.960 1.00 0.00 H new ATOM 0 HA CYS A 5 0.975 6.577 1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.054 6.155 3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.030 4.711 2.633 1.00 0.00 H new ATOM 0 HG CYS A 5 1.363 3.146 4.298 1.00 0.00 H new ATOM 77 N SER A 6 3.803 7.171 2.269 1.00 0.00 N ATOM 78 CA SER A 6 4.788 8.218 2.545 1.00 0.00 C ATOM 79 C SER A 6 4.972 8.592 3.999 1.00 0.00 C ATOM 80 O SER A 6 4.858 9.750 4.399 1.00 0.00 O ATOM 81 CB SER A 6 4.558 9.447 1.644 1.00 0.00 C ATOM 82 OG SER A 6 4.067 9.082 0.359 1.00 0.00 O ATOM 0 H SER A 6 4.145 6.495 1.586 1.00 0.00 H new ATOM 0 HA SER A 6 5.746 7.767 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.849 10.121 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.494 9.995 1.532 1.00 0.00 H new ATOM 0 HG SER A 6 3.933 9.889 -0.181 1.00 0.00 H new ATOM 88 N ASP A 7 5.234 7.546 4.805 1.00 0.00 N ATOM 89 CA ASP A 7 5.294 7.595 6.249 1.00 0.00 C ATOM 90 C ASP A 7 6.652 7.045 6.595 1.00 0.00 C ATOM 91 O ASP A 7 7.357 6.580 5.713 1.00 0.00 O ATOM 92 CB ASP A 7 4.140 6.683 6.766 1.00 0.00 C ATOM 93 CG ASP A 7 3.916 6.665 8.286 1.00 0.00 C ATOM 94 OD1 ASP A 7 3.622 7.749 8.855 1.00 0.00 O ATOM 95 OD2 ASP A 7 4.034 5.564 8.888 1.00 0.00 O ATOM 0 H ASP A 7 5.415 6.612 4.437 1.00 0.00 H new ATOM 0 HA ASP A 7 5.173 8.585 6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.213 6.999 6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.337 5.663 6.437 1.00 0.00 H new ATOM 100 N GLU A 8 7.046 7.043 7.898 1.00 0.00 N ATOM 101 CA GLU A 8 8.301 6.500 8.396 1.00 0.00 C ATOM 102 C GLU A 8 8.309 4.993 8.234 1.00 0.00 C ATOM 103 O GLU A 8 7.484 4.305 8.836 1.00 0.00 O ATOM 104 CB GLU A 8 8.676 6.932 9.840 1.00 0.00 C ATOM 105 CG GLU A 8 7.942 8.199 10.337 1.00 0.00 C ATOM 106 CD GLU A 8 8.467 8.637 11.709 1.00 0.00 C ATOM 107 OE1 GLU A 8 9.659 9.041 11.788 1.00 0.00 O ATOM 108 OE2 GLU A 8 7.682 8.578 12.693 1.00 0.00 O ATOM 0 H GLU A 8 6.466 7.436 8.639 1.00 0.00 H new ATOM 0 HA GLU A 8 9.088 6.938 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.458 6.109 10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.751 7.107 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.076 9.007 9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.872 8.002 10.399 1.00 0.00 H new ATOM 115 N ALA A 9 9.235 4.456 7.393 1.00 0.00 N ATOM 116 CA ALA A 9 9.308 3.042 7.081 1.00 0.00 C ATOM 117 C ALA A 9 10.171 2.304 8.057 1.00 0.00 C ATOM 118 O ALA A 9 11.005 2.880 8.755 1.00 0.00 O ATOM 119 CB ALA A 9 9.812 2.737 5.655 1.00 0.00 C ATOM 0 H ALA A 9 9.946 5.014 6.921 1.00 0.00 H new ATOM 0 HA ALA A 9 8.276 2.697 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.837 1.658 5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.140 3.192 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.815 3.145 5.528 1.00 0.00 H new ATOM 125 N SER A 10 9.954 0.965 8.082 1.00 0.00 N ATOM 126 CA SER A 10 10.650 0.001 8.895 1.00 0.00 C ATOM 127 C SER A 10 11.728 -0.589 8.013 1.00 0.00 C ATOM 128 O SER A 10 12.871 -0.744 8.441 1.00 0.00 O ATOM 129 CB SER A 10 9.694 -1.098 9.421 1.00 0.00 C ATOM 130 OG SER A 10 10.319 -1.957 10.370 1.00 0.00 O ATOM 0 H SER A 10 9.244 0.530 7.493 1.00 0.00 H new ATOM 0 HA SER A 10 11.075 0.473 9.781 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.823 -0.629 9.879 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.332 -1.692 8.582 1.00 0.00 H new ATOM 0 HG SER A 10 9.676 -2.632 10.673 1.00 0.00 H new ATOM 136 N GLY A 11 11.363 -0.922 6.751 1.00 0.00 N ATOM 137 CA GLY A 11 12.278 -1.476 5.787 1.00 0.00 C ATOM 138 C GLY A 11 11.464 -2.092 4.696 1.00 0.00 C ATOM 139 O GLY A 11 10.238 -2.166 4.779 1.00 0.00 O ATOM 0 H GLY A 11 10.415 -0.804 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.930 -0.699 5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.921 -2.222 6.254 1.00 0.00 H new ATOM 143 N CYS A 12 12.158 -2.584 3.634 1.00 0.00 N ATOM 144 CA CYS A 12 11.571 -3.252 2.483 1.00 0.00 C ATOM 145 C CYS A 12 11.302 -4.680 2.881 1.00 0.00 C ATOM 146 O CYS A 12 11.996 -5.199 3.757 1.00 0.00 O ATOM 147 CB CYS A 12 12.464 -3.193 1.208 1.00 0.00 C ATOM 148 SG CYS A 12 14.208 -3.704 1.455 1.00 0.00 S ATOM 0 H CYS A 12 13.174 -2.515 3.572 1.00 0.00 H new ATOM 0 HA CYS A 12 10.652 -2.733 2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.020 -3.830 0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.452 -2.174 0.821 1.00 0.00 H new ATOM 0 HG CYS A 12 14.850 -3.616 0.328 1.00 0.00 H new ATOM 154 N HIS A 13 10.287 -5.349 2.269 1.00 0.00 N ATOM 155 CA HIS A 13 9.989 -6.703 2.720 1.00 0.00 C ATOM 156 C HIS A 13 9.462 -7.555 1.613 1.00 0.00 C ATOM 157 O HIS A 13 9.488 -8.782 1.710 1.00 0.00 O ATOM 158 CB HIS A 13 9.002 -6.732 3.908 1.00 0.00 C ATOM 159 CG HIS A 13 9.005 -8.038 4.664 1.00 0.00 C ATOM 160 ND1 HIS A 13 10.064 -8.359 5.498 1.00 0.00 N ATOM 161 CD2 HIS A 13 8.101 -9.052 4.637 1.00 0.00 C ATOM 162 CE1 HIS A 13 9.773 -9.561 5.959 1.00 0.00 C ATOM 163 NE2 HIS A 13 8.597 -10.028 5.469 1.00 0.00 N ATOM 0 H HIS A 13 9.705 -4.989 1.513 1.00 0.00 H new ATOM 0 HA HIS A 13 10.940 -7.113 3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.250 -5.923 4.595 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.995 -6.538 3.538 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.179 -9.085 4.075 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.399 -10.110 6.647 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.165 -10.928 5.677 1.00 0.00 H new ATOM 171 N TYR A 14 8.972 -6.915 0.532 1.00 0.00 N ATOM 172 CA TYR A 14 8.458 -7.562 -0.640 1.00 0.00 C ATOM 173 C TYR A 14 9.323 -6.897 -1.664 1.00 0.00 C ATOM 174 O TYR A 14 10.542 -7.065 -1.603 1.00 0.00 O ATOM 175 CB TYR A 14 6.907 -7.456 -0.764 1.00 0.00 C ATOM 176 CG TYR A 14 6.232 -8.317 0.314 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.644 -9.640 0.593 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.169 -7.820 1.080 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.145 -10.364 1.679 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.660 -8.535 2.170 1.00 0.00 C ATOM 181 CZ TYR A 14 5.163 -9.799 2.490 1.00 0.00 C ATOM 182 OH TYR A 14 4.673 -10.508 3.609 1.00 0.00 O ATOM 0 H TYR A 14 8.932 -5.897 0.473 1.00 0.00 H new ATOM 0 HA TYR A 14 8.523 -8.648 -0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.596 -6.417 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.590 -7.784 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.370 -10.108 -0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.734 -6.865 0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.518 -11.356 1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.871 -8.106 2.770 1.00 0.00 H new ATOM 0 HH TYR A 14 3.993 -9.969 4.066 1.00 0.00 H new ATOM 192 N GLY A 15 8.769 -6.112 -2.604 1.00 0.00 N ATOM 193 CA GLY A 15 9.566 -5.492 -3.642 1.00 0.00 C ATOM 194 C GLY A 15 10.027 -4.090 -3.346 1.00 0.00 C ATOM 195 O GLY A 15 10.882 -3.586 -4.074 1.00 0.00 O ATOM 0 H GLY A 15 7.772 -5.900 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.442 -6.114 -3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.985 -5.479 -4.564 1.00 0.00 H new ATOM 199 N VAL A 16 9.497 -3.416 -2.285 1.00 0.00 N ATOM 200 CA VAL A 16 9.726 -1.987 -2.104 1.00 0.00 C ATOM 201 C VAL A 16 9.883 -1.700 -0.644 1.00 0.00 C ATOM 202 O VAL A 16 9.387 -2.434 0.209 1.00 0.00 O ATOM 203 CB VAL A 16 8.543 -1.128 -2.663 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.710 0.395 -2.691 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.135 -1.549 -4.076 1.00 0.00 C ATOM 0 H VAL A 16 8.920 -3.848 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 16 10.627 -1.720 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 16 7.779 -1.345 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.810 0.852 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.872 0.762 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.567 0.656 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.311 -0.923 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.984 -1.432 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.819 -2.592 -4.068 1.00 0.00 H new ATOM 215 N LEU A 17 10.503 -0.520 -0.378 1.00 0.00 N ATOM 216 CA LEU A 17 10.754 0.124 0.900 1.00 0.00 C ATOM 217 C LEU A 17 9.407 0.619 1.368 1.00 0.00 C ATOM 218 O LEU A 17 8.848 1.543 0.780 1.00 0.00 O ATOM 219 CB LEU A 17 11.777 1.280 0.776 1.00 0.00 C ATOM 220 CG LEU A 17 12.141 2.038 2.079 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.771 1.127 3.144 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.031 3.259 1.783 1.00 0.00 C ATOM 0 H LEU A 17 10.869 0.046 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 17 11.199 -0.570 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.696 0.876 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.386 2.004 0.061 1.00 0.00 H new ATOM 0 HG LEU A 17 11.203 2.397 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.004 1.713 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.070 0.335 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.687 0.686 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.270 3.770 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.953 2.930 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.502 3.943 1.120 1.00 0.00 H new ATOM 234 N THR A 18 8.853 -0.019 2.420 1.00 0.00 N ATOM 235 CA THR A 18 7.513 0.246 2.888 1.00 0.00 C ATOM 236 C THR A 18 7.542 0.372 4.363 1.00 0.00 C ATOM 237 O THR A 18 8.563 0.140 5.005 1.00 0.00 O ATOM 238 CB THR A 18 6.554 -0.950 2.563 1.00 0.00 C ATOM 239 OG1 THR A 18 7.183 -2.215 2.768 1.00 0.00 O ATOM 240 CG2 THR A 18 6.016 -0.892 1.140 1.00 0.00 C ATOM 0 H THR A 18 9.341 -0.734 2.959 1.00 0.00 H new ATOM 0 HA THR A 18 7.159 1.154 2.399 1.00 0.00 H new ATOM 0 HB THR A 18 5.721 -0.849 3.259 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.551 -2.933 2.556 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.357 -1.742 0.965 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.459 0.034 0.999 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.847 -0.926 0.435 1.00 0.00 H new ATOM 248 N CYS A 19 6.354 0.711 4.930 1.00 0.00 N ATOM 249 CA CYS A 19 6.181 0.857 6.362 1.00 0.00 C ATOM 250 C CYS A 19 5.948 -0.519 6.962 1.00 0.00 C ATOM 251 O CYS A 19 6.175 -1.545 6.317 1.00 0.00 O ATOM 252 CB CYS A 19 5.167 1.931 6.870 1.00 0.00 C ATOM 253 SG CYS A 19 3.412 1.770 6.399 1.00 0.00 S ATOM 0 H CYS A 19 5.505 0.886 4.392 1.00 0.00 H new ATOM 0 HA CYS A 19 7.112 1.291 6.726 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.217 1.944 7.959 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.515 2.904 6.523 1.00 0.00 H new ATOM 0 HG CYS A 19 3.026 2.851 5.789 1.00 0.00 H new ATOM 258 N GLY A 20 5.471 -0.561 8.227 1.00 0.00 N ATOM 259 CA GLY A 20 5.182 -1.781 8.947 1.00 0.00 C ATOM 260 C GLY A 20 3.871 -2.343 8.480 1.00 0.00 C ATOM 261 O GLY A 20 3.773 -3.531 8.178 1.00 0.00 O ATOM 0 H GLY A 20 5.279 0.281 8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.979 -2.507 8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.143 -1.583 10.018 1.00 0.00 H new ATOM 265 N SER A 21 2.848 -1.458 8.355 1.00 0.00 N ATOM 266 CA SER A 21 1.491 -1.812 7.980 1.00 0.00 C ATOM 267 C SER A 21 1.314 -2.151 6.511 1.00 0.00 C ATOM 268 O SER A 21 0.476 -2.992 6.205 1.00 0.00 O ATOM 269 CB SER A 21 0.424 -0.795 8.455 1.00 0.00 C ATOM 270 OG SER A 21 0.624 0.512 7.934 1.00 0.00 O ATOM 0 H SER A 21 2.967 -0.459 8.520 1.00 0.00 H new ATOM 0 HA SER A 21 1.315 -2.737 8.530 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.563 -1.150 8.159 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.434 -0.750 9.544 1.00 0.00 H new ATOM 0 HG SER A 21 1.519 0.574 7.540 1.00 0.00 H new ATOM 276 N CYS A 22 2.107 -1.533 5.576 1.00 0.00 N ATOM 277 CA CYS A 22 1.993 -1.701 4.123 1.00 0.00 C ATOM 278 C CYS A 22 2.403 -3.069 3.669 1.00 0.00 C ATOM 279 O CYS A 22 1.931 -3.555 2.644 1.00 0.00 O ATOM 280 CB CYS A 22 2.664 -0.617 3.253 1.00 0.00 C ATOM 281 SG CYS A 22 1.618 0.879 3.198 1.00 0.00 S ATOM 0 H CYS A 22 2.856 -0.892 5.840 1.00 0.00 H new ATOM 0 HA CYS A 22 0.924 -1.570 3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.645 -0.370 3.659 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.823 -0.997 2.244 1.00 0.00 H new ATOM 0 HG CYS A 22 2.371 1.930 3.065 1.00 0.00 H new ATOM 286 N LYS A 23 3.244 -3.735 4.493 1.00 0.00 N ATOM 287 CA LYS A 23 3.715 -5.093 4.350 1.00 0.00 C ATOM 288 C LYS A 23 2.534 -6.036 4.461 1.00 0.00 C ATOM 289 O LYS A 23 2.169 -6.728 3.518 1.00 0.00 O ATOM 290 CB LYS A 23 4.785 -5.450 5.415 1.00 0.00 C ATOM 291 CG LYS A 23 5.391 -6.872 5.345 1.00 0.00 C ATOM 292 CD LYS A 23 6.065 -7.319 6.659 1.00 0.00 C ATOM 293 CE LYS A 23 7.172 -6.379 7.163 1.00 0.00 C ATOM 294 NZ LYS A 23 7.842 -6.938 8.336 1.00 0.00 N ATOM 0 H LYS A 23 3.626 -3.289 5.327 1.00 0.00 H new ATOM 0 HA LYS A 23 4.188 -5.193 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.599 -4.729 5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.340 -5.318 6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.604 -7.582 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.125 -6.907 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.301 -7.407 7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.488 -8.313 6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.900 -6.211 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.744 -5.408 7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.585 -6.284 8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.149 -7.075 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.270 -7.853 8.088 1.00 0.00 H new ATOM 308 N VAL A 24 1.898 -6.005 5.651 1.00 0.00 N ATOM 309 CA VAL A 24 0.786 -6.818 6.112 1.00 0.00 C ATOM 310 C VAL A 24 -0.464 -6.616 5.303 1.00 0.00 C ATOM 311 O VAL A 24 -1.204 -7.559 5.031 1.00 0.00 O ATOM 312 CB VAL A 24 0.491 -6.550 7.621 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.561 -7.500 8.232 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.778 -6.548 8.472 1.00 0.00 C ATOM 0 H VAL A 24 2.188 -5.343 6.371 1.00 0.00 H new ATOM 0 HA VAL A 24 1.092 -7.856 5.979 1.00 0.00 H new ATOM 0 HB VAL A 24 0.057 -5.551 7.646 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.710 -7.250 9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.504 -7.392 7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.213 -8.530 8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.524 -6.358 9.515 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.270 -7.517 8.389 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.450 -5.768 8.114 1.00 0.00 H new ATOM 324 N PHE A 25 -0.677 -5.351 4.889 1.00 0.00 N ATOM 325 CA PHE A 25 -1.740 -4.823 4.067 1.00 0.00 C ATOM 326 C PHE A 25 -1.743 -5.512 2.737 1.00 0.00 C ATOM 327 O PHE A 25 -2.736 -6.106 2.337 1.00 0.00 O ATOM 328 CB PHE A 25 -1.498 -3.307 3.859 1.00 0.00 C ATOM 329 CG PHE A 25 -2.425 -2.615 2.890 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.825 -2.772 2.907 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.828 -1.916 1.831 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.603 -2.258 1.860 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.598 -1.424 0.785 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.987 -1.590 0.793 1.00 0.00 C ATOM 0 H PHE A 25 -0.030 -4.611 5.161 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.700 -4.988 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.579 -2.810 4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.474 -3.167 3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.300 -3.289 3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.760 -1.759 1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.676 -2.377 1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.122 -0.911 -0.038 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.583 -1.204 -0.021 1.00 0.00 H new ATOM 344 N PHE A 26 -0.566 -5.432 2.079 1.00 0.00 N ATOM 345 CA PHE A 26 -0.239 -5.942 0.770 1.00 0.00 C ATOM 346 C PHE A 26 -0.308 -7.448 0.720 1.00 0.00 C ATOM 347 O PHE A 26 -0.855 -8.021 -0.211 1.00 0.00 O ATOM 348 CB PHE A 26 1.130 -5.403 0.303 1.00 0.00 C ATOM 349 CG PHE A 26 1.531 -5.866 -1.075 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.921 -5.364 -2.236 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.531 -6.835 -1.202 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.357 -5.775 -3.503 1.00 0.00 C ATOM 353 CE2 PHE A 26 2.980 -7.232 -2.459 1.00 0.00 C ATOM 354 CZ PHE A 26 2.396 -6.710 -3.615 1.00 0.00 C ATOM 0 H PHE A 26 0.235 -4.965 2.504 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.992 -5.580 0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.104 -4.313 0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.894 -5.713 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.110 -4.656 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.960 -7.280 -0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.894 -5.372 -4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.785 -7.948 -2.540 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.742 -7.024 -4.589 1.00 0.00 H new ATOM 364 N LYS A 27 0.220 -8.117 1.761 1.00 0.00 N ATOM 365 CA LYS A 27 0.283 -9.551 1.957 1.00 0.00 C ATOM 366 C LYS A 27 -1.108 -10.150 2.071 1.00 0.00 C ATOM 367 O LYS A 27 -1.343 -11.278 1.641 1.00 0.00 O ATOM 368 CB LYS A 27 1.291 -9.893 3.087 1.00 0.00 C ATOM 369 CG LYS A 27 1.348 -11.342 3.608 1.00 0.00 C ATOM 370 CD LYS A 27 1.573 -12.428 2.546 1.00 0.00 C ATOM 371 CE LYS A 27 0.648 -13.632 2.766 1.00 0.00 C ATOM 372 NZ LYS A 27 0.805 -14.645 1.726 1.00 0.00 N ATOM 0 H LYS A 27 0.644 -7.615 2.542 1.00 0.00 H new ATOM 0 HA LYS A 27 0.692 -10.046 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.288 -9.628 2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.071 -9.244 3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.147 -11.411 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.415 -11.558 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.398 -12.010 1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.612 -12.756 2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.858 -14.077 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.388 -13.293 2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.472 -15.563 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.247 -14.375 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.808 -14.719 1.463 1.00 0.00 H new ATOM 386 N ARG A 28 -2.077 -9.351 2.590 1.00 0.00 N ATOM 387 CA ARG A 28 -3.479 -9.697 2.680 1.00 0.00 C ATOM 388 C ARG A 28 -4.163 -9.385 1.378 1.00 0.00 C ATOM 389 O ARG A 28 -4.980 -10.158 0.906 1.00 0.00 O ATOM 390 CB ARG A 28 -4.211 -8.921 3.804 1.00 0.00 C ATOM 391 CG ARG A 28 -4.554 -9.773 5.036 1.00 0.00 C ATOM 392 CD ARG A 28 -3.333 -10.406 5.736 1.00 0.00 C ATOM 393 NE ARG A 28 -3.507 -10.385 7.238 1.00 0.00 N ATOM 394 CZ ARG A 28 -4.404 -11.185 7.899 1.00 0.00 C ATOM 395 NH1 ARG A 28 -4.885 -12.339 7.352 1.00 0.00 N ATOM 396 NH2 ARG A 28 -4.825 -10.808 9.144 1.00 0.00 N ATOM 0 H ARG A 28 -1.874 -8.424 2.963 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.526 -10.762 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.588 -8.083 4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.131 -8.500 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.087 -9.151 5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.236 -10.568 4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.204 -11.433 5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.429 -9.863 5.462 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.930 -9.746 7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.578 -12.630 6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.551 -12.911 7.871 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.472 -9.947 9.563 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.492 -11.387 9.654 1.00 0.00 H new ATOM 410 N ALA A 29 -3.811 -8.237 0.774 1.00 0.00 N ATOM 411 CA ALA A 29 -4.399 -7.626 -0.403 1.00 0.00 C ATOM 412 C ALA A 29 -4.125 -8.319 -1.709 1.00 0.00 C ATOM 413 O ALA A 29 -4.794 -8.057 -2.709 1.00 0.00 O ATOM 414 CB ALA A 29 -3.906 -6.181 -0.560 1.00 0.00 C ATOM 0 H ALA A 29 -3.041 -7.675 1.137 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.470 -7.696 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.357 -5.737 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.190 -5.602 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.821 -6.176 -0.663 1.00 0.00 H new ATOM 420 N VAL A 30 -3.118 -9.214 -1.718 1.00 0.00 N ATOM 421 CA VAL A 30 -2.634 -9.903 -2.892 1.00 0.00 C ATOM 422 C VAL A 30 -3.383 -11.188 -3.130 1.00 0.00 C ATOM 423 O VAL A 30 -4.022 -11.351 -4.168 1.00 0.00 O ATOM 424 CB VAL A 30 -1.089 -10.104 -2.823 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.528 -11.123 -3.830 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.326 -8.774 -2.986 1.00 0.00 C ATOM 0 H VAL A 30 -2.613 -9.474 -0.870 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.831 -9.275 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.926 -10.512 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.553 -11.197 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.981 -12.098 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.758 -10.797 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.746 -8.961 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.569 -8.331 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.616 -8.088 -2.190 1.00 0.00 H new ATOM 436 N GLU A 31 -3.275 -12.132 -2.177 1.00 0.00 N ATOM 437 CA GLU A 31 -3.833 -13.465 -2.307 1.00 0.00 C ATOM 438 C GLU A 31 -4.323 -13.940 -0.969 1.00 0.00 C ATOM 439 O GLU A 31 -4.228 -15.120 -0.632 1.00 0.00 O ATOM 440 CB GLU A 31 -2.830 -14.461 -2.946 1.00 0.00 C ATOM 441 CG GLU A 31 -1.494 -14.590 -2.180 1.00 0.00 C ATOM 442 CD GLU A 31 -0.470 -15.411 -2.967 1.00 0.00 C ATOM 443 OE1 GLU A 31 -0.725 -16.625 -3.193 1.00 0.00 O ATOM 444 OE2 GLU A 31 0.585 -14.835 -3.347 1.00 0.00 O ATOM 0 H GLU A 31 -2.791 -11.977 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.681 -13.417 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.298 -15.443 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.621 -14.144 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.090 -13.597 -1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.672 -15.060 -1.213 1.00 0.00 H new ATOM 451 N GLY A 32 -4.902 -13.000 -0.196 1.00 0.00 N ATOM 452 CA GLY A 32 -5.403 -13.282 1.139 1.00 0.00 C ATOM 453 C GLY A 32 -6.671 -12.560 1.472 1.00 0.00 C ATOM 454 O GLY A 32 -6.784 -12.032 2.578 1.00 0.00 O ATOM 0 H GLY A 32 -5.029 -12.031 -0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.570 -14.355 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.639 -13.012 1.868 1.00 0.00 H new ATOM 458 N GLN A 33 -7.641 -12.516 0.519 1.00 0.00 N ATOM 459 CA GLN A 33 -8.943 -11.856 0.569 1.00 0.00 C ATOM 460 C GLN A 33 -8.806 -10.348 0.552 1.00 0.00 C ATOM 461 O GLN A 33 -8.154 -9.753 1.411 1.00 0.00 O ATOM 462 CB GLN A 33 -9.994 -12.358 1.594 1.00 0.00 C ATOM 463 CG GLN A 33 -9.720 -12.067 3.090 1.00 0.00 C ATOM 464 CD GLN A 33 -11.021 -11.772 3.853 1.00 0.00 C ATOM 465 OE1 GLN A 33 -11.503 -12.598 4.637 1.00 0.00 O ATOM 466 NE2 GLN A 33 -11.585 -10.548 3.601 1.00 0.00 N ATOM 0 H GLN A 33 -7.504 -12.987 -0.375 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.403 -12.189 -0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.956 -11.916 1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.095 -13.436 1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.218 -12.922 3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.044 -11.217 3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.141 -9.908 2.943 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.449 -10.278 4.072 1.00 0.00 H new ATOM 475 N HIS A 34 -9.409 -9.697 -0.470 1.00 0.00 N ATOM 476 CA HIS A 34 -9.248 -8.279 -0.700 1.00 0.00 C ATOM 477 C HIS A 34 -10.555 -7.753 -1.198 1.00 0.00 C ATOM 478 O HIS A 34 -11.163 -8.334 -2.096 1.00 0.00 O ATOM 479 CB HIS A 34 -8.141 -7.951 -1.731 1.00 0.00 C ATOM 480 CG HIS A 34 -7.589 -9.184 -2.389 1.00 0.00 C ATOM 481 ND1 HIS A 34 -7.962 -9.572 -3.663 1.00 0.00 N ATOM 482 CD2 HIS A 34 -6.835 -10.147 -1.799 1.00 0.00 C ATOM 483 CE1 HIS A 34 -7.419 -10.766 -3.816 1.00 0.00 C ATOM 484 NE2 HIS A 34 -6.734 -11.165 -2.713 1.00 0.00 N ATOM 0 H HIS A 34 -10.017 -10.158 -1.147 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.946 -7.813 0.238 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.544 -7.285 -2.494 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.333 -7.415 -1.234 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.529 -9.053 -4.333 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.402 -10.117 -0.810 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.509 -11.357 -4.715 1.00 0.00 H new ATOM 492 N ASN A 35 -11.003 -6.613 -0.620 1.00 0.00 N ATOM 493 CA ASN A 35 -12.218 -5.953 -1.025 1.00 0.00 C ATOM 494 C ASN A 35 -12.117 -4.573 -0.429 1.00 0.00 C ATOM 495 O ASN A 35 -12.529 -4.342 0.708 1.00 0.00 O ATOM 496 CB ASN A 35 -13.528 -6.683 -0.585 1.00 0.00 C ATOM 497 CG ASN A 35 -14.774 -6.192 -1.353 1.00 0.00 C ATOM 498 OD1 ASN A 35 -15.089 -6.724 -2.425 1.00 0.00 O ATOM 499 ND2 ASN A 35 -15.475 -5.163 -0.789 1.00 0.00 N ATOM 0 H ASN A 35 -10.513 -6.142 0.141 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.300 -5.943 -2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.410 -7.755 -0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.682 -6.531 0.483 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.305 -4.795 -1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.168 -4.763 0.098 1.00 0.00 H new ATOM 506 N TYR A 36 -11.561 -3.617 -1.216 1.00 0.00 N ATOM 507 CA TYR A 36 -11.435 -2.223 -0.869 1.00 0.00 C ATOM 508 C TYR A 36 -12.102 -1.521 -2.014 1.00 0.00 C ATOM 509 O TYR A 36 -13.320 -1.348 -1.986 1.00 0.00 O ATOM 510 CB TYR A 36 -10.001 -1.720 -0.537 1.00 0.00 C ATOM 511 CG TYR A 36 -9.123 -2.836 -0.026 1.00 0.00 C ATOM 512 CD1 TYR A 36 -9.221 -3.246 1.316 1.00 0.00 C ATOM 513 CD2 TYR A 36 -8.192 -3.477 -0.864 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.404 -4.266 1.812 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.370 -4.495 -0.369 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.473 -4.891 0.973 1.00 0.00 C ATOM 517 OH TYR A 36 -6.641 -5.909 1.489 1.00 0.00 O ATOM 0 H TYR A 36 -11.181 -3.828 -2.139 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.908 -2.011 0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.553 -1.284 -1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -10.057 -0.929 0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.935 -2.768 1.970 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.111 -3.180 -1.899 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.491 -4.573 2.844 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.656 -4.976 -1.020 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.907 -6.773 1.110 1.00 0.00 H new ATOM 597 N ASN A 42 -10.182 7.109 -8.489 1.00 0.00 N ATOM 598 CA ASN A 42 -8.838 6.602 -8.279 1.00 0.00 C ATOM 599 C ASN A 42 -8.094 7.889 -8.569 1.00 0.00 C ATOM 600 O ASN A 42 -7.533 8.078 -9.647 1.00 0.00 O ATOM 601 CB ASN A 42 -8.363 5.379 -9.133 1.00 0.00 C ATOM 602 CG ASN A 42 -6.943 4.885 -8.777 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.738 4.294 -7.712 1.00 0.00 O ATOM 604 ND2 ASN A 42 -5.968 5.133 -9.702 1.00 0.00 N ATOM 0 HA ASN A 42 -8.693 6.139 -7.303 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.068 4.558 -8.999 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.389 5.652 -10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.011 4.825 -9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.197 5.626 -10.565 1.00 0.00 H new ATOM 611 N ASP A 43 -8.147 8.826 -7.592 1.00 0.00 N ATOM 612 CA ASP A 43 -7.609 10.167 -7.673 1.00 0.00 C ATOM 613 C ASP A 43 -6.522 10.321 -6.674 1.00 0.00 C ATOM 614 O ASP A 43 -5.422 10.762 -7.007 1.00 0.00 O ATOM 615 CB ASP A 43 -8.642 11.300 -7.343 1.00 0.00 C ATOM 616 CG ASP A 43 -9.845 10.901 -6.459 1.00 0.00 C ATOM 617 OD1 ASP A 43 -10.724 10.141 -6.944 1.00 0.00 O ATOM 618 OD2 ASP A 43 -9.898 11.372 -5.291 1.00 0.00 O ATOM 0 H ASP A 43 -8.590 8.639 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.281 10.278 -8.707 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.110 12.113 -6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.026 11.696 -8.283 1.00 0.00 H new ATOM 623 N CYS A 44 -6.850 9.985 -5.405 1.00 0.00 N ATOM 624 CA CYS A 44 -6.058 10.162 -4.227 1.00 0.00 C ATOM 625 C CYS A 44 -4.715 9.469 -4.324 1.00 0.00 C ATOM 626 O CYS A 44 -4.620 8.312 -4.729 1.00 0.00 O ATOM 627 CB CYS A 44 -6.837 9.784 -2.924 1.00 0.00 C ATOM 628 SG CYS A 44 -8.430 8.868 -3.114 1.00 0.00 S ATOM 0 H CYS A 44 -7.749 9.552 -5.193 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.844 11.229 -4.156 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.176 9.182 -2.300 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.042 10.704 -2.376 1.00 0.00 H new ATOM 0 HG CYS A 44 -8.384 7.769 -2.422 1.00 0.00 H new ATOM 633 N ILE A 45 -3.640 10.227 -3.984 1.00 0.00 N ATOM 634 CA ILE A 45 -2.243 9.868 -4.147 1.00 0.00 C ATOM 635 C ILE A 45 -1.788 8.851 -3.154 1.00 0.00 C ATOM 636 O ILE A 45 -0.972 7.974 -3.427 1.00 0.00 O ATOM 637 CB ILE A 45 -1.350 11.152 -4.187 1.00 0.00 C ATOM 638 CG1 ILE A 45 -0.157 11.073 -5.172 1.00 0.00 C ATOM 639 CG2 ILE A 45 -0.967 11.761 -2.815 1.00 0.00 C ATOM 640 CD1 ILE A 45 0.982 10.109 -4.809 1.00 0.00 C ATOM 0 H ILE A 45 -3.752 11.151 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.132 9.372 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.035 11.887 -4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.544 10.788 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.265 12.073 -5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.348 12.645 -2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.872 12.041 -2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.411 11.026 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.752 10.149 -5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.412 10.399 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.591 9.094 -4.740 1.00 0.00 H new ATOM 652 N ILE A 46 -2.359 9.010 -1.959 1.00 0.00 N ATOM 653 CA ILE A 46 -2.168 8.226 -0.761 1.00 0.00 C ATOM 654 C ILE A 46 -0.861 8.614 -0.117 1.00 0.00 C ATOM 655 O ILE A 46 0.221 8.404 -0.663 1.00 0.00 O ATOM 656 CB ILE A 46 -2.450 6.688 -0.928 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.839 6.273 -0.389 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.390 5.702 -0.397 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.014 7.151 -0.805 1.00 0.00 C ATOM 0 H ILE A 46 -3.027 9.764 -1.802 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.950 8.477 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.407 6.593 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.042 5.253 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.793 6.257 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.720 4.679 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.443 5.876 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.257 5.853 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.933 6.761 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.849 8.170 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.102 7.151 -1.891 1.00 0.00 H new ATOM 671 N ASP A 47 -0.973 9.209 1.086 1.00 0.00 N ATOM 672 CA ASP A 47 0.143 9.604 1.895 1.00 0.00 C ATOM 673 C ASP A 47 -0.366 9.451 3.300 1.00 0.00 C ATOM 674 O ASP A 47 -1.434 8.883 3.509 1.00 0.00 O ATOM 675 CB ASP A 47 0.814 10.959 1.527 1.00 0.00 C ATOM 676 CG ASP A 47 -0.113 12.183 1.587 1.00 0.00 C ATOM 677 OD1 ASP A 47 -0.417 12.653 2.714 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.522 12.662 0.495 1.00 0.00 O ATOM 0 H ASP A 47 -1.875 9.423 1.512 1.00 0.00 H new ATOM 0 HA ASP A 47 1.017 8.975 1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.654 11.126 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.224 10.882 0.520 1.00 0.00 H new ATOM 683 N LYS A 48 0.386 9.975 4.296 1.00 0.00 N ATOM 684 CA LYS A 48 0.145 9.860 5.724 1.00 0.00 C ATOM 685 C LYS A 48 -1.085 10.579 6.256 1.00 0.00 C ATOM 686 O LYS A 48 -1.407 10.470 7.439 1.00 0.00 O ATOM 687 CB LYS A 48 1.408 10.193 6.554 1.00 0.00 C ATOM 688 CG LYS A 48 2.341 11.303 6.014 1.00 0.00 C ATOM 689 CD LYS A 48 1.803 12.742 6.095 1.00 0.00 C ATOM 690 CE LYS A 48 1.585 13.241 7.535 1.00 0.00 C ATOM 691 NZ LYS A 48 1.281 14.670 7.564 1.00 0.00 N ATOM 0 H LYS A 48 1.225 10.520 4.095 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.093 8.805 5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.087 10.480 7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.994 9.280 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.281 11.257 6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.570 11.081 4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.501 13.410 5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.859 12.798 5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.768 12.684 7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.478 13.045 8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.617 14.868 8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.158 15.209 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.852 14.952 6.660 1.00 0.00 H new ATOM 705 N ILE A 49 -1.804 11.306 5.373 1.00 0.00 N ATOM 706 CA ILE A 49 -3.021 12.040 5.658 1.00 0.00 C ATOM 707 C ILE A 49 -4.139 11.406 4.874 1.00 0.00 C ATOM 708 O ILE A 49 -5.215 11.135 5.407 1.00 0.00 O ATOM 709 CB ILE A 49 -2.882 13.560 5.318 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.914 14.288 6.282 1.00 0.00 C ATOM 711 CG2 ILE A 49 -4.217 14.327 5.180 1.00 0.00 C ATOM 712 CD1 ILE A 49 -2.344 14.319 7.758 1.00 0.00 C ATOM 0 H ILE A 49 -1.523 11.390 4.396 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.233 11.989 6.726 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.447 13.567 4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.937 13.809 6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.790 15.314 5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.014 15.372 4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.811 13.883 4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.769 14.268 6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.595 14.852 8.344 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.304 14.828 7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.438 13.299 8.131 1.00 0.00 H new ATOM 724 N ARG A 50 -3.879 11.172 3.569 1.00 0.00 N ATOM 725 CA ARG A 50 -4.805 10.663 2.566 1.00 0.00 C ATOM 726 C ARG A 50 -5.045 9.168 2.686 1.00 0.00 C ATOM 727 O ARG A 50 -5.821 8.584 1.933 1.00 0.00 O ATOM 728 CB ARG A 50 -4.342 11.020 1.132 1.00 0.00 C ATOM 729 CG ARG A 50 -3.941 12.503 0.939 1.00 0.00 C ATOM 730 CD ARG A 50 -5.022 13.546 1.288 1.00 0.00 C ATOM 731 NE ARG A 50 -6.123 13.502 0.260 1.00 0.00 N ATOM 732 CZ ARG A 50 -7.310 14.168 0.437 1.00 0.00 C ATOM 733 NH1 ARG A 50 -7.760 14.526 1.675 1.00 0.00 N ATOM 734 NH2 ARG A 50 -8.080 14.446 -0.656 1.00 0.00 N ATOM 0 H ARG A 50 -2.955 11.349 3.176 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.756 11.158 2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.492 10.390 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.144 10.780 0.434 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.061 12.703 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.647 12.647 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.429 13.344 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.582 14.543 1.321 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.982 12.961 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.209 14.299 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.647 15.020 1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.770 14.159 -1.585 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.965 14.940 -0.544 1.00 0.00 H new ATOM 748 N ARG A 51 -4.421 8.545 3.715 1.00 0.00 N ATOM 749 CA ARG A 51 -4.473 7.150 4.113 1.00 0.00 C ATOM 750 C ARG A 51 -5.845 6.775 4.643 1.00 0.00 C ATOM 751 O ARG A 51 -6.253 5.616 4.574 1.00 0.00 O ATOM 752 CB ARG A 51 -3.401 6.866 5.197 1.00 0.00 C ATOM 753 CG ARG A 51 -3.299 5.420 5.737 1.00 0.00 C ATOM 754 CD ARG A 51 -1.995 5.129 6.503 1.00 0.00 C ATOM 755 NE ARG A 51 -1.929 5.980 7.747 1.00 0.00 N ATOM 756 CZ ARG A 51 -0.788 6.085 8.500 1.00 0.00 C ATOM 757 NH1 ARG A 51 0.447 5.803 7.990 1.00 0.00 N ATOM 758 NH2 ARG A 51 -0.892 6.499 9.798 1.00 0.00 N ATOM 0 H ARG A 51 -3.812 9.076 4.338 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.271 6.544 3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.429 7.142 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.593 7.528 6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.146 5.228 6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.381 4.724 4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.948 4.074 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.135 5.334 5.865 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.761 6.494 8.037 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.542 5.503 7.020 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.275 5.892 8.579 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.807 6.723 10.190 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.055 6.584 10.375 1.00 0.00 H new ATOM 772 N LYS A 52 -6.572 7.784 5.192 1.00 0.00 N ATOM 773 CA LYS A 52 -7.859 7.678 5.833 1.00 0.00 C ATOM 774 C LYS A 52 -8.974 8.005 4.865 1.00 0.00 C ATOM 775 O LYS A 52 -10.073 8.386 5.268 1.00 0.00 O ATOM 776 CB LYS A 52 -7.948 8.632 7.048 1.00 0.00 C ATOM 777 CG LYS A 52 -6.824 8.451 8.093 1.00 0.00 C ATOM 778 CD LYS A 52 -6.743 7.053 8.743 1.00 0.00 C ATOM 779 CE LYS A 52 -8.020 6.581 9.467 1.00 0.00 C ATOM 780 NZ LYS A 52 -8.420 7.492 10.541 1.00 0.00 N ATOM 0 H LYS A 52 -6.230 8.745 5.185 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.970 6.648 6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.929 9.661 6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.910 8.484 7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.868 8.667 7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.961 9.192 8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.495 6.326 7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.920 7.051 9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.833 6.494 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.854 5.586 9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.283 7.133 10.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.657 7.556 11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.605 8.436 10.145 1.00 0.00 H new ATOM 794 N ASN A 53 -8.700 7.836 3.548 1.00 0.00 N ATOM 795 CA ASN A 53 -9.621 8.062 2.461 1.00 0.00 C ATOM 796 C ASN A 53 -10.072 6.711 1.985 1.00 0.00 C ATOM 797 O ASN A 53 -11.261 6.483 1.764 1.00 0.00 O ATOM 798 CB ASN A 53 -9.012 8.787 1.226 1.00 0.00 C ATOM 799 CG ASN A 53 -8.614 10.242 1.522 1.00 0.00 C ATOM 800 OD1 ASN A 53 -8.836 10.789 2.606 1.00 0.00 O ATOM 801 ND2 ASN A 53 -7.995 10.873 0.478 1.00 0.00 N ATOM 0 H ASN A 53 -7.784 7.524 3.225 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.413 8.703 2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.134 8.238 0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.734 8.772 0.410 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.693 11.842 0.575 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.836 10.374 -0.397 1.00 0.00 H new ATOM 808 N CYS A 54 -9.098 5.788 1.801 1.00 0.00 N ATOM 809 CA CYS A 54 -9.337 4.484 1.234 1.00 0.00 C ATOM 810 C CYS A 54 -8.101 3.637 1.521 1.00 0.00 C ATOM 811 O CYS A 54 -6.991 4.168 1.494 1.00 0.00 O ATOM 812 CB CYS A 54 -9.600 4.531 -0.316 1.00 0.00 C ATOM 813 SG CYS A 54 -8.420 5.620 -1.199 1.00 0.00 S ATOM 0 H CYS A 54 -8.123 5.951 2.052 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.236 4.063 1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.532 3.522 -0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -10.616 4.880 -0.498 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.203 5.148 -2.391 1.00 0.00 H new ATOM 818 N PRO A 55 -8.259 2.309 1.716 1.00 0.00 N ATOM 819 CA PRO A 55 -7.164 1.349 1.648 1.00 0.00 C ATOM 820 C PRO A 55 -7.211 0.650 0.293 1.00 0.00 C ATOM 821 O PRO A 55 -7.054 -0.567 0.227 1.00 0.00 O ATOM 822 CB PRO A 55 -7.484 0.411 2.805 1.00 0.00 C ATOM 823 CG PRO A 55 -9.021 0.359 2.847 1.00 0.00 C ATOM 824 CD PRO A 55 -9.470 1.716 2.283 1.00 0.00 C ATOM 0 HA PRO A 55 -6.162 1.769 1.731 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.058 -0.579 2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.074 0.784 3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.406 -0.466 2.248 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.385 0.212 3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.242 1.592 1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.891 2.349 3.065 1.00 0.00 H new ATOM 832 N ALA A 56 -7.431 1.395 -0.824 1.00 0.00 N ATOM 833 CA ALA A 56 -7.639 0.883 -2.152 1.00 0.00 C ATOM 834 C ALA A 56 -6.554 1.430 -3.026 1.00 0.00 C ATOM 835 O ALA A 56 -5.837 0.666 -3.667 1.00 0.00 O ATOM 836 CB ALA A 56 -8.994 1.275 -2.730 1.00 0.00 C ATOM 0 H ALA A 56 -7.464 2.414 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.617 -0.206 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.095 0.861 -3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.788 0.883 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.069 2.361 -2.777 1.00 0.00 H new ATOM 842 N CYS A 57 -6.381 2.786 -3.039 1.00 0.00 N ATOM 843 CA CYS A 57 -5.333 3.507 -3.734 1.00 0.00 C ATOM 844 C CYS A 57 -3.950 3.130 -3.298 1.00 0.00 C ATOM 845 O CYS A 57 -3.040 3.112 -4.113 1.00 0.00 O ATOM 846 CB CYS A 57 -5.461 5.033 -3.626 1.00 0.00 C ATOM 847 SG CYS A 57 -6.836 5.725 -4.602 1.00 0.00 S ATOM 0 H CYS A 57 -7.010 3.410 -2.535 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.477 3.205 -4.771 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.598 5.304 -2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.528 5.491 -3.954 1.00 0.00 H new ATOM 0 HG CYS A 57 -7.287 6.795 -4.018 1.00 0.00 H new ATOM 852 N ARG A 58 -3.797 2.760 -2.010 1.00 0.00 N ATOM 853 CA ARG A 58 -2.600 2.248 -1.383 1.00 0.00 C ATOM 854 C ARG A 58 -2.109 0.970 -2.020 1.00 0.00 C ATOM 855 O ARG A 58 -0.908 0.720 -2.047 1.00 0.00 O ATOM 856 CB ARG A 58 -2.772 1.895 0.115 1.00 0.00 C ATOM 857 CG ARG A 58 -3.323 3.021 1.001 1.00 0.00 C ATOM 858 CD ARG A 58 -2.584 3.205 2.343 1.00 0.00 C ATOM 859 NE ARG A 58 -2.682 1.979 3.220 1.00 0.00 N ATOM 860 CZ ARG A 58 -3.831 1.616 3.875 1.00 0.00 C ATOM 861 NH1 ARG A 58 -4.834 2.506 4.126 1.00 0.00 N ATOM 862 NH2 ARG A 58 -3.962 0.326 4.305 1.00 0.00 N ATOM 0 H ARG A 58 -4.572 2.823 -1.349 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.897 3.072 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.438 1.036 0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.805 1.586 0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.277 3.958 0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.375 2.822 1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.535 3.429 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.001 4.062 2.871 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.854 1.393 3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.743 3.476 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.675 2.202 4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.213 -0.346 4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.808 0.035 4.794 1.00 0.00 H new ATOM 876 N TYR A 59 -3.049 0.131 -2.545 1.00 0.00 N ATOM 877 CA TYR A 59 -2.753 -1.143 -3.179 1.00 0.00 C ATOM 878 C TYR A 59 -2.231 -0.853 -4.571 1.00 0.00 C ATOM 879 O TYR A 59 -1.267 -1.471 -5.017 1.00 0.00 O ATOM 880 CB TYR A 59 -4.001 -2.063 -3.216 1.00 0.00 C ATOM 881 CG TYR A 59 -3.751 -3.445 -3.805 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.772 -4.318 -3.282 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.508 -3.876 -4.910 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.564 -5.586 -3.847 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.304 -5.140 -5.475 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.336 -5.998 -4.941 1.00 0.00 C ATOM 887 OH TYR A 59 -3.133 -7.274 -5.513 1.00 0.00 O ATOM 0 H TYR A 59 -4.046 0.346 -2.528 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.000 -1.682 -2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.382 -2.178 -2.201 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.782 -1.571 -3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.176 -4.006 -2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.258 -3.221 -5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.810 -6.243 -3.439 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.894 -5.453 -6.324 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.753 -7.399 -6.262 1.00 0.00 H new ATOM 897 N ARG A 60 -2.834 0.166 -5.240 1.00 0.00 N ATOM 898 CA ARG A 60 -2.487 0.657 -6.560 1.00 0.00 C ATOM 899 C ARG A 60 -1.126 1.312 -6.570 1.00 0.00 C ATOM 900 O ARG A 60 -0.355 1.145 -7.511 1.00 0.00 O ATOM 901 CB ARG A 60 -3.511 1.679 -7.112 1.00 0.00 C ATOM 902 CG ARG A 60 -4.913 1.107 -7.403 1.00 0.00 C ATOM 903 CD ARG A 60 -5.025 0.436 -8.782 1.00 0.00 C ATOM 904 NE ARG A 60 -6.466 0.065 -9.019 1.00 0.00 N ATOM 905 CZ ARG A 60 -6.862 -0.696 -10.089 1.00 0.00 C ATOM 906 NH1 ARG A 60 -5.992 -1.489 -10.781 1.00 0.00 N ATOM 907 NH2 ARG A 60 -8.174 -0.657 -10.472 1.00 0.00 N ATOM 0 H ARG A 60 -3.615 0.681 -4.833 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.488 -0.226 -7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.610 2.494 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.113 2.109 -8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.168 0.380 -6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.646 1.911 -7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.675 1.113 -9.562 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.394 -0.452 -8.823 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.173 0.392 -8.360 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.010 -1.529 -10.507 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.324 -2.041 -11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.836 -0.070 -9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.491 -1.215 -11.265 1.00 0.00 H new ATOM 921 N LYS A 61 -0.828 2.057 -5.475 1.00 0.00 N ATOM 922 CA LYS A 61 0.320 2.893 -5.245 1.00 0.00 C ATOM 923 C LYS A 61 1.577 2.108 -5.044 1.00 0.00 C ATOM 924 O LYS A 61 2.584 2.352 -5.704 1.00 0.00 O ATOM 925 CB LYS A 61 0.012 3.842 -4.071 1.00 0.00 C ATOM 926 CG LYS A 61 1.076 4.879 -3.679 1.00 0.00 C ATOM 927 CD LYS A 61 1.262 6.057 -4.654 1.00 0.00 C ATOM 928 CE LYS A 61 2.193 5.775 -5.845 1.00 0.00 C ATOM 929 NZ LYS A 61 2.424 6.989 -6.627 1.00 0.00 N ATOM 0 H LYS A 61 -1.459 2.071 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 61 0.511 3.487 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.906 4.380 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.196 3.230 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.819 5.281 -2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.032 4.367 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.284 6.349 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.654 6.909 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.144 5.384 -5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.754 5.006 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.055 6.773 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.517 7.346 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.864 7.712 -6.023 1.00 0.00 H new ATOM 943 N CYS A 62 1.503 1.105 -4.141 1.00 0.00 N ATOM 944 CA CYS A 62 2.572 0.198 -3.779 1.00 0.00 C ATOM 945 C CYS A 62 2.980 -0.688 -4.941 1.00 0.00 C ATOM 946 O CYS A 62 4.162 -0.958 -5.134 1.00 0.00 O ATOM 947 CB CYS A 62 2.274 -0.568 -2.462 1.00 0.00 C ATOM 948 SG CYS A 62 1.044 -1.916 -2.529 1.00 0.00 S ATOM 0 H CYS A 62 0.643 0.911 -3.628 1.00 0.00 H new ATOM 0 HA CYS A 62 3.453 0.799 -3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.212 -0.987 -2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.938 0.157 -1.720 1.00 0.00 H new ATOM 0 HG CYS A 62 1.635 -3.054 -2.315 1.00 0.00 H new ATOM 954 N LEU A 63 1.982 -1.079 -5.787 1.00 0.00 N ATOM 955 CA LEU A 63 2.134 -1.870 -6.996 1.00 0.00 C ATOM 956 C LEU A 63 2.857 -1.066 -8.052 1.00 0.00 C ATOM 957 O LEU A 63 3.667 -1.612 -8.801 1.00 0.00 O ATOM 958 CB LEU A 63 0.797 -2.394 -7.574 1.00 0.00 C ATOM 959 CG LEU A 63 0.238 -3.652 -6.866 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.210 -3.940 -7.306 1.00 0.00 C ATOM 961 CD2 LEU A 63 1.134 -4.889 -7.083 1.00 0.00 C ATOM 0 H LEU A 63 1.009 -0.826 -5.614 1.00 0.00 H new ATOM 0 HA LEU A 63 2.716 -2.746 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.054 -1.599 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.937 -2.620 -8.631 1.00 0.00 H new ATOM 0 HG LEU A 63 0.236 -3.439 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.576 -4.829 -6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.843 -3.089 -7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.237 -4.106 -8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.701 -5.747 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.205 -5.104 -8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.130 -4.691 -6.686 1.00 0.00 H new ATOM 973 N GLN A 64 2.602 0.277 -8.079 1.00 0.00 N ATOM 974 CA GLN A 64 3.187 1.258 -8.977 1.00 0.00 C ATOM 975 C GLN A 64 4.667 1.389 -8.707 1.00 0.00 C ATOM 976 O GLN A 64 5.485 1.498 -9.619 1.00 0.00 O ATOM 977 CB GLN A 64 2.492 2.644 -8.879 1.00 0.00 C ATOM 978 CG GLN A 64 2.207 3.353 -10.224 1.00 0.00 C ATOM 979 CD GLN A 64 3.488 3.884 -10.887 1.00 0.00 C ATOM 980 OE1 GLN A 64 4.180 4.737 -10.318 1.00 0.00 O ATOM 981 NE2 GLN A 64 3.796 3.360 -12.112 1.00 0.00 N ATOM 0 H GLN A 64 1.942 0.703 -7.428 1.00 0.00 H new ATOM 0 HA GLN A 64 3.033 0.899 -9.994 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.548 2.519 -8.349 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.115 3.299 -8.270 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.712 2.657 -10.901 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.517 4.180 -10.057 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.188 2.658 -12.534 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.634 3.671 -12.604 1.00 0.00 H new ATOM 990 N ALA A 65 5.002 1.317 -7.394 1.00 0.00 N ATOM 991 CA ALA A 65 6.324 1.414 -6.811 1.00 0.00 C ATOM 992 C ALA A 65 7.198 0.247 -7.192 1.00 0.00 C ATOM 993 O ALA A 65 8.385 0.413 -7.468 1.00 0.00 O ATOM 994 CB ALA A 65 6.297 1.648 -5.293 1.00 0.00 C ATOM 0 H ALA A 65 4.287 1.179 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 65 6.778 2.306 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.318 1.712 -4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.772 2.579 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.782 0.820 -4.806 1.00 0.00 H new ATOM 1000 N GLY A 66 6.586 -0.957 -7.226 1.00 0.00 N ATOM 1001 CA GLY A 66 7.208 -2.182 -7.678 1.00 0.00 C ATOM 1002 C GLY A 66 7.130 -3.272 -6.659 1.00 0.00 C ATOM 1003 O GLY A 66 7.968 -4.172 -6.680 1.00 0.00 O ATOM 0 H GLY A 66 5.619 -1.088 -6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.725 -2.513 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.253 -1.988 -7.919 1.00 0.00 H new ATOM 1007 N MET A 67 6.097 -3.254 -5.762 1.00 0.00 N ATOM 1008 CA MET A 67 5.905 -4.246 -4.693 1.00 0.00 C ATOM 1009 C MET A 67 5.608 -5.606 -5.289 1.00 0.00 C ATOM 1010 O MET A 67 4.978 -5.686 -6.345 1.00 0.00 O ATOM 1011 CB MET A 67 4.752 -3.926 -3.711 1.00 0.00 C ATOM 1012 CG MET A 67 5.088 -2.903 -2.607 1.00 0.00 C ATOM 1013 SD MET A 67 6.189 -3.566 -1.308 1.00 0.00 S ATOM 1014 CE MET A 67 5.000 -4.384 -0.202 1.00 0.00 C ATOM 0 H MET A 67 5.374 -2.535 -5.774 1.00 0.00 H new ATOM 0 HA MET A 67 6.840 -4.226 -4.133 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.903 -3.552 -4.283 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.433 -4.854 -3.237 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.559 -2.032 -3.062 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.161 -2.560 -2.146 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.463 -4.550 0.771 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.120 -3.752 -0.083 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.704 -5.341 -0.630 1.00 0.00 H new ATOM 1024 N ASN A 68 6.061 -6.706 -4.632 1.00 0.00 N ATOM 1025 CA ASN A 68 5.810 -8.029 -5.170 1.00 0.00 C ATOM 1026 C ASN A 68 6.002 -8.986 -4.046 1.00 0.00 C ATOM 1027 O ASN A 68 7.059 -9.070 -3.433 1.00 0.00 O ATOM 1028 CB ASN A 68 6.700 -8.433 -6.391 1.00 0.00 C ATOM 1029 CG ASN A 68 6.178 -9.612 -7.249 1.00 0.00 C ATOM 1030 OD1 ASN A 68 6.986 -10.418 -7.724 1.00 0.00 O ATOM 1031 ND2 ASN A 68 4.828 -9.709 -7.435 1.00 0.00 N ATOM 0 H ASN A 68 6.584 -6.686 -3.757 1.00 0.00 H new ATOM 0 HA ASN A 68 4.797 -8.042 -5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.814 -7.562 -7.036 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.693 -8.689 -6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.443 -10.474 -7.989 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.205 -9.016 -7.020 1.00 0.00 H new ATOM 1038 N LEU A 69 4.945 -9.770 -3.770 1.00 0.00 N ATOM 1039 CA LEU A 69 4.871 -10.741 -2.705 1.00 0.00 C ATOM 1040 C LEU A 69 5.456 -11.994 -3.305 1.00 0.00 C ATOM 1041 O LEU A 69 4.779 -12.798 -3.945 1.00 0.00 O ATOM 1042 CB LEU A 69 3.435 -10.848 -2.138 1.00 0.00 C ATOM 1043 CG LEU A 69 3.086 -12.098 -1.293 1.00 0.00 C ATOM 1044 CD1 LEU A 69 3.890 -12.154 0.015 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.570 -12.206 -1.054 1.00 0.00 C ATOM 0 H LEU A 69 4.087 -9.729 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 69 5.438 -10.477 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.250 -9.966 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.739 -10.805 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 69 3.382 -12.974 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.612 -13.047 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.955 -12.186 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.674 -11.269 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.358 -13.094 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.221 -11.320 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.055 -12.281 -2.012 1.00 0.00 H new ATOM 1057 N GLU A 70 6.793 -12.088 -3.102 1.00 0.00 N ATOM 1058 CA GLU A 70 7.763 -13.041 -3.584 1.00 0.00 C ATOM 1059 C GLU A 70 8.485 -12.276 -4.660 1.00 0.00 C ATOM 1060 O GLU A 70 8.345 -12.538 -5.854 1.00 0.00 O ATOM 1061 CB GLU A 70 7.302 -14.445 -4.041 1.00 0.00 C ATOM 1062 CG GLU A 70 6.644 -15.270 -2.910 1.00 0.00 C ATOM 1063 CD GLU A 70 6.153 -16.625 -3.427 1.00 0.00 C ATOM 1064 OE1 GLU A 70 7.011 -17.458 -3.825 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.912 -16.845 -3.424 1.00 0.00 O ATOM 0 H GLU A 70 7.254 -11.393 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 70 8.374 -13.366 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.594 -14.338 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.160 -14.993 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.361 -15.424 -2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.807 -14.713 -2.490 1.00 0.00 H new ATOM 1072 N ALA A 71 9.271 -11.274 -4.197 1.00 0.00 N ATOM 1073 CA ALA A 71 10.058 -10.344 -4.982 1.00 0.00 C ATOM 1074 C ALA A 71 11.500 -10.783 -4.861 1.00 0.00 C ATOM 1075 O ALA A 71 11.783 -11.936 -4.535 1.00 0.00 O ATOM 1076 CB ALA A 71 9.904 -8.886 -4.484 1.00 0.00 C ATOM 0 H ALA A 71 9.365 -11.098 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 71 9.717 -10.355 -6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.511 -8.224 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.858 -8.587 -4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.234 -8.819 -3.447 1.00 0.00 H new ATOM 1082 N ARG A 72 12.447 -9.850 -5.130 1.00 0.00 N ATOM 1083 CA ARG A 72 13.876 -10.056 -5.084 1.00 0.00 C ATOM 1084 C ARG A 72 14.375 -9.534 -3.723 1.00 0.00 C ATOM 1085 O ARG A 72 14.141 -8.333 -3.418 1.00 0.00 O ATOM 1086 CB ARG A 72 14.599 -9.304 -6.226 1.00 0.00 C ATOM 1087 CG ARG A 72 14.165 -9.757 -7.634 1.00 0.00 C ATOM 1088 CD ARG A 72 14.826 -8.942 -8.757 1.00 0.00 C ATOM 1089 NE ARG A 72 14.306 -9.438 -10.083 1.00 0.00 N ATOM 1090 CZ ARG A 72 14.850 -9.038 -11.276 1.00 0.00 C ATOM 1091 NH1 ARG A 72 16.115 -8.531 -11.362 1.00 0.00 N ATOM 1092 NH2 ARG A 72 14.106 -9.162 -12.416 1.00 0.00 N ATOM 1093 OXT ARG A 72 14.985 -10.340 -2.971 1.00 0.00 O ATOM 0 H ARG A 72 12.201 -8.896 -5.395 1.00 0.00 H new ATOM 0 HA ARG A 72 14.093 -11.117 -5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.410 -8.235 -6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.674 -9.449 -6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.413 -10.811 -7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.082 -9.671 -7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.603 -7.882 -8.636 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.910 -9.047 -8.713 1.00 0.00 H new ATOM 0 HE ARG A 72 13.524 -10.093 -10.092 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.686 -8.440 -10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.489 -8.243 -12.266 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.163 -9.547 -12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.494 -8.870 -13.313 1.00 0.00 H new