USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 589 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 NoAdj-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 116 LYS NZ :NH3+ 159:sc= -0.187 (180deg=-0.629) USER MOD Set 1.2: A 120 GLN : amide:sc= 0 X(o=-0.19,f=-0.63) USER MOD Set 2.1: A 65 GLN : amide:sc= -1.63 K(o=-3.1,f=-1.2) USER MOD Set 2.2: A 108 HIS : no HE2:sc= -1.44 K(o=-3.1,f=-4.1) USER MOD Single : A 61 SER OG : rot -26:sc= 0.245 USER MOD Single : A 62 ASN : amide:sc= -0.0799 X(o=-0.08,f=-0.36) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.542 USER MOD Single : A 82 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.16) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 155:sc= -0.143 (180deg=-0.575) USER MOD Single : A 90 GLN : amide:sc= -2.51! C(o=-2.5!,f=-5.2!) USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= -0.327 (180deg=-1.25!) USER MOD Single : A 92 SER OG : rot 68:sc= 0.664 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= -1.25 (180deg=-1.78) USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.146) USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= -0.12 (180deg=-0.53) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.246) USER MOD Single : A 105 SER OG : rot -18:sc= 0.614 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot -99:sc= 0.293 USER MOD Single : A 124 ASN : amide:sc= -0.0969 K(o=-0.097,f=-1.4!) USER MOD Single : A 127 LYS NZ :NH3+ 150:sc= -0.157 (180deg=-0.879) USER MOD Single : A 129 LYS NZ :NH3+ -159:sc= -0.111 (180deg=-0.619) USER MOD Single : A 131 SER OG : rot 54:sc= 0.0754 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -18.370 2.524 11.499 1.00 0.00 N ATOM 2 CA SER A 61 -17.821 1.550 12.476 1.00 0.00 C ATOM 3 C SER A 61 -17.210 0.333 11.783 1.00 0.00 C ATOM 4 O SER A 61 -17.682 -0.792 11.940 1.00 0.00 O ATOM 5 CB SER A 61 -18.904 1.108 13.463 1.00 0.00 C ATOM 6 OG SER A 61 -20.114 0.793 12.800 1.00 0.00 O ATOM 0 HA SER A 61 -17.025 2.054 13.024 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.556 0.238 14.020 1.00 0.00 H new ATOM 0 HB3 SER A 61 -19.082 1.902 14.189 1.00 0.00 H new ATOM 0 HG SER A 61 -20.162 1.287 11.955 1.00 0.00 H new ATOM 14 N ASN A 62 -16.155 0.577 11.013 1.00 0.00 N ATOM 15 CA ASN A 62 -15.443 -0.487 10.319 1.00 0.00 C ATOM 16 C ASN A 62 -13.943 -0.308 10.511 1.00 0.00 C ATOM 17 O ASN A 62 -13.354 0.654 10.015 1.00 0.00 O ATOM 18 CB ASN A 62 -15.791 -0.500 8.828 1.00 0.00 C ATOM 19 CG ASN A 62 -16.489 -1.780 8.405 1.00 0.00 C ATOM 20 OD1 ASN A 62 -16.138 -2.874 8.851 1.00 0.00 O ATOM 21 ND2 ASN A 62 -17.493 -1.648 7.546 1.00 0.00 N ATOM 0 H ASN A 62 -15.773 1.509 10.854 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.749 -1.444 10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.432 0.352 8.600 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.879 -0.377 8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.006 -2.471 7.231 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.751 -0.723 7.201 1.00 0.00 H new ATOM 28 N ALA A 63 -13.335 -1.224 11.253 1.00 0.00 N ATOM 29 CA ALA A 63 -11.904 -1.169 11.516 1.00 0.00 C ATOM 30 C ALA A 63 -11.301 -2.567 11.492 1.00 0.00 C ATOM 31 O ALA A 63 -10.317 -2.843 12.178 1.00 0.00 O ATOM 32 CB ALA A 63 -11.638 -0.495 12.853 1.00 0.00 C ATOM 0 H ALA A 63 -13.812 -2.016 11.684 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.430 -0.580 10.731 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.564 -0.461 13.036 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.035 0.520 12.834 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.124 -1.060 13.648 1.00 0.00 H new ATOM 38 N GLY A 64 -11.903 -3.445 10.699 1.00 0.00 N ATOM 39 CA GLY A 64 -11.419 -4.807 10.588 1.00 0.00 C ATOM 40 C GLY A 64 -11.599 -5.359 9.189 1.00 0.00 C ATOM 41 O GLY A 64 -12.288 -6.360 8.990 1.00 0.00 O ATOM 0 H GLY A 64 -12.722 -3.236 10.128 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.364 -4.840 10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.950 -5.440 11.299 1.00 0.00 H new ATOM 45 N GLN A 65 -10.977 -4.701 8.218 1.00 0.00 N ATOM 46 CA GLN A 65 -11.075 -5.115 6.823 1.00 0.00 C ATOM 47 C GLN A 65 -9.768 -5.729 6.340 1.00 0.00 C ATOM 48 O GLN A 65 -8.781 -5.767 7.072 1.00 0.00 O ATOM 49 CB GLN A 65 -11.426 -3.914 5.949 1.00 0.00 C ATOM 50 CG GLN A 65 -12.490 -3.015 6.556 1.00 0.00 C ATOM 51 CD GLN A 65 -12.052 -1.565 6.646 1.00 0.00 C ATOM 52 OE1 GLN A 65 -12.409 -0.856 7.588 1.00 0.00 O ATOM 53 NE2 GLN A 65 -11.290 -1.108 5.658 1.00 0.00 N ATOM 0 H GLN A 65 -10.397 -3.876 8.372 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.860 -5.868 6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.524 -3.328 5.771 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.772 -4.269 4.978 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.398 -3.079 5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.740 -3.377 7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.016 -1.729 4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.979 -0.137 5.662 1.00 0.00 H new ATOM 62 N LEU A 66 -9.770 -6.198 5.097 1.00 0.00 N ATOM 63 CA LEU A 66 -8.585 -6.806 4.505 1.00 0.00 C ATOM 64 C LEU A 66 -7.958 -5.875 3.471 1.00 0.00 C ATOM 65 O LEU A 66 -8.650 -5.074 2.841 1.00 0.00 O ATOM 66 CB LEU A 66 -8.946 -8.141 3.850 1.00 0.00 C ATOM 67 CG LEU A 66 -9.800 -9.078 4.707 1.00 0.00 C ATOM 68 CD1 LEU A 66 -10.112 -10.357 3.948 1.00 0.00 C ATOM 69 CD2 LEU A 66 -9.097 -9.391 6.020 1.00 0.00 C ATOM 0 H LEU A 66 -10.581 -6.168 4.479 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.860 -6.982 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.478 -7.939 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.024 -8.658 3.584 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.740 -8.576 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.720 -11.012 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.658 -10.115 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.182 -10.863 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.719 -10.058 6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.141 -9.873 5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.926 -8.466 6.571 1.00 0.00 H new ATOM 81 N CYS A 67 -6.645 -5.985 3.307 1.00 0.00 N ATOM 82 CA CYS A 67 -5.910 -5.164 2.348 1.00 0.00 C ATOM 83 C CYS A 67 -6.506 -5.302 0.944 1.00 0.00 C ATOM 84 O CYS A 67 -7.220 -6.265 0.663 1.00 0.00 O ATOM 85 CB CYS A 67 -4.438 -5.584 2.350 1.00 0.00 C ATOM 86 SG CYS A 67 -3.370 -4.595 1.280 1.00 0.00 S ATOM 0 H CYS A 67 -6.062 -6.639 3.829 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.988 -4.117 2.641 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.059 -5.528 3.371 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.371 -6.628 2.043 1.00 0.00 H new ATOM 91 N CYS A 68 -6.214 -4.340 0.065 1.00 0.00 N ATOM 92 CA CYS A 68 -6.738 -4.375 -1.303 1.00 0.00 C ATOM 93 C CYS A 68 -5.615 -4.402 -2.338 1.00 0.00 C ATOM 94 O CYS A 68 -5.796 -3.961 -3.473 1.00 0.00 O ATOM 95 CB CYS A 68 -7.653 -3.176 -1.569 1.00 0.00 C ATOM 96 SG CYS A 68 -6.787 -1.599 -1.719 1.00 0.00 S ATOM 0 H CYS A 68 -5.624 -3.535 0.273 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.315 -5.295 -1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.213 -3.358 -2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.380 -3.102 -0.760 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.648 -0.651 -1.945 1.00 0.00 H new ATOM 102 N LEU A 69 -4.458 -4.915 -1.943 1.00 0.00 N ATOM 103 CA LEU A 69 -3.319 -5.022 -2.846 1.00 0.00 C ATOM 104 C LEU A 69 -3.041 -6.487 -3.151 1.00 0.00 C ATOM 105 O LEU A 69 -3.540 -7.376 -2.461 1.00 0.00 O ATOM 106 CB LEU A 69 -2.074 -4.375 -2.235 1.00 0.00 C ATOM 107 CG LEU A 69 -2.197 -2.882 -1.932 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.030 -2.415 -1.075 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.263 -2.079 -3.224 1.00 0.00 C ATOM 0 H LEU A 69 -4.283 -5.265 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.561 -4.496 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.829 -4.898 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.236 -4.523 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.121 -2.718 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.133 -1.350 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.024 -2.968 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.095 -2.593 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.350 -1.018 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.356 -2.249 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.130 -2.395 -3.805 1.00 0.00 H new ATOM 121 N ARG A 70 -2.250 -6.739 -4.185 1.00 0.00 N ATOM 122 CA ARG A 70 -1.917 -8.105 -4.564 1.00 0.00 C ATOM 123 C ARG A 70 -0.428 -8.242 -4.845 1.00 0.00 C ATOM 124 O ARG A 70 0.147 -7.456 -5.598 1.00 0.00 O ATOM 125 CB ARG A 70 -2.715 -8.532 -5.797 1.00 0.00 C ATOM 126 CG ARG A 70 -4.215 -8.348 -5.648 1.00 0.00 C ATOM 127 CD ARG A 70 -4.977 -9.089 -6.734 1.00 0.00 C ATOM 128 NE ARG A 70 -4.983 -10.538 -6.505 1.00 0.00 N ATOM 129 CZ ARG A 70 -6.081 -11.285 -6.335 1.00 0.00 C ATOM 130 NH1 ARG A 70 -7.299 -10.751 -6.361 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.955 -12.590 -6.134 1.00 0.00 N ATOM 0 H ARG A 70 -1.829 -6.020 -4.773 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.178 -8.755 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.371 -7.958 -6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.506 -9.581 -6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.531 -8.709 -4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.459 -7.286 -5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.003 -8.723 -6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.527 -8.876 -7.704 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.081 -11.013 -6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.413 -9.749 -6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.119 -11.344 -6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.028 -13.015 -6.110 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.785 -13.168 -6.003 1.00 0.00 H new ATOM 145 N GLU A 71 0.194 -9.242 -4.234 1.00 0.00 N ATOM 146 CA GLU A 71 1.614 -9.486 -4.436 1.00 0.00 C ATOM 147 C GLU A 71 1.810 -10.702 -5.333 1.00 0.00 C ATOM 148 O GLU A 71 1.584 -11.836 -4.914 1.00 0.00 O ATOM 149 CB GLU A 71 2.324 -9.698 -3.100 1.00 0.00 C ATOM 150 CG GLU A 71 3.831 -9.529 -3.190 1.00 0.00 C ATOM 151 CD GLU A 71 4.575 -10.373 -2.177 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.855 -11.551 -2.481 1.00 0.00 O ATOM 153 OE2 GLU A 71 4.882 -9.857 -1.081 1.00 0.00 O ATOM 0 H GLU A 71 -0.262 -9.895 -3.597 1.00 0.00 H new ATOM 0 HA GLU A 71 2.049 -8.611 -4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.929 -8.992 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.098 -10.698 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.163 -9.796 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.085 -8.480 -3.039 1.00 0.00 H new ATOM 160 N ASP A 72 2.227 -10.456 -6.572 1.00 0.00 N ATOM 161 CA ASP A 72 2.440 -11.530 -7.537 1.00 0.00 C ATOM 162 C ASP A 72 1.152 -12.315 -7.762 1.00 0.00 C ATOM 163 O ASP A 72 1.136 -13.543 -7.679 1.00 0.00 O ATOM 164 CB ASP A 72 3.553 -12.469 -7.067 1.00 0.00 C ATOM 165 CG ASP A 72 4.934 -11.910 -7.349 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.368 -11.963 -8.520 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.580 -11.420 -6.401 1.00 0.00 O ATOM 0 H ASP A 72 2.424 -9.522 -6.931 1.00 0.00 H new ATOM 0 HA ASP A 72 2.743 -11.078 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.447 -12.647 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.445 -13.434 -7.563 1.00 0.00 H new ATOM 172 N GLY A 73 0.072 -11.593 -8.046 1.00 0.00 N ATOM 173 CA GLY A 73 -1.209 -12.232 -8.281 1.00 0.00 C ATOM 174 C GLY A 73 -1.768 -12.915 -7.045 1.00 0.00 C ATOM 175 O GLY A 73 -2.757 -13.643 -7.130 1.00 0.00 O ATOM 0 H GLY A 73 0.062 -10.576 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.922 -11.486 -8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.101 -12.968 -9.078 1.00 0.00 H new ATOM 179 N GLU A 74 -1.141 -12.681 -5.892 1.00 0.00 N ATOM 180 CA GLU A 74 -1.593 -13.286 -4.643 1.00 0.00 C ATOM 181 C GLU A 74 -2.135 -12.224 -3.693 1.00 0.00 C ATOM 182 O GLU A 74 -1.448 -11.256 -3.365 1.00 0.00 O ATOM 183 CB GLU A 74 -0.455 -14.064 -3.981 1.00 0.00 C ATOM 184 CG GLU A 74 -0.287 -15.472 -4.526 1.00 0.00 C ATOM 185 CD GLU A 74 -1.440 -16.379 -4.144 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.256 -15.973 -3.291 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.525 -17.497 -4.696 1.00 0.00 O ATOM 0 H GLU A 74 -0.323 -12.079 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.400 -13.982 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.477 -13.516 -4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.638 -14.118 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.204 -15.431 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.645 -15.895 -4.151 1.00 0.00 H new ATOM 194 N ARG A 75 -3.369 -12.424 -3.248 1.00 0.00 N ATOM 195 CA ARG A 75 -4.031 -11.482 -2.354 1.00 0.00 C ATOM 196 C ARG A 75 -3.289 -11.329 -1.033 1.00 0.00 C ATOM 197 O ARG A 75 -2.901 -12.313 -0.401 1.00 0.00 O ATOM 198 CB ARG A 75 -5.465 -11.936 -2.085 1.00 0.00 C ATOM 199 CG ARG A 75 -6.391 -10.806 -1.668 1.00 0.00 C ATOM 200 CD ARG A 75 -6.510 -9.759 -2.762 1.00 0.00 C ATOM 201 NE ARG A 75 -7.868 -9.235 -2.870 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.883 -9.929 -3.373 1.00 0.00 C ATOM 203 NH1 ARG A 75 -8.695 -11.172 -3.796 1.00 0.00 N ATOM 204 NH2 ARG A 75 -10.088 -9.383 -3.450 1.00 0.00 N ATOM 0 H ARG A 75 -3.935 -13.236 -3.494 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.034 -10.511 -2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.863 -12.408 -2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.457 -12.695 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.378 -11.208 -1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.014 -10.342 -0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.820 -8.940 -2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.213 -10.195 -3.716 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.047 -8.286 -2.542 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.770 -11.597 -3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.476 -11.703 -4.182 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.237 -8.428 -3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.866 -9.917 -3.836 1.00 0.00 H new ATOM 218 N CYS A 76 -3.102 -10.080 -0.621 1.00 0.00 N ATOM 219 CA CYS A 76 -2.429 -9.780 0.630 1.00 0.00 C ATOM 220 C CYS A 76 -3.149 -10.473 1.782 1.00 0.00 C ATOM 221 O CYS A 76 -2.537 -11.184 2.578 1.00 0.00 O ATOM 222 CB CYS A 76 -2.400 -8.262 0.850 1.00 0.00 C ATOM 223 SG CYS A 76 -1.488 -7.725 2.318 1.00 0.00 S ATOM 0 H CYS A 76 -3.410 -9.258 -1.140 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.404 -10.147 0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.958 -7.790 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.426 -7.900 0.924 1.00 0.00 H new ATOM 228 N GLY A 77 -4.457 -10.236 1.879 1.00 0.00 N ATOM 229 CA GLY A 77 -5.257 -10.851 2.927 1.00 0.00 C ATOM 230 C GLY A 77 -5.023 -10.250 4.304 1.00 0.00 C ATOM 231 O GLY A 77 -5.788 -10.510 5.233 1.00 0.00 O ATOM 0 H GLY A 77 -4.978 -9.627 1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.312 -10.753 2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.035 -11.918 2.963 1.00 0.00 H new ATOM 235 N ARG A 78 -3.979 -9.435 4.441 1.00 0.00 N ATOM 236 CA ARG A 78 -3.657 -8.819 5.711 1.00 0.00 C ATOM 237 C ARG A 78 -4.660 -7.721 6.024 1.00 0.00 C ATOM 238 O ARG A 78 -5.116 -7.010 5.128 1.00 0.00 O ATOM 239 CB ARG A 78 -2.240 -8.247 5.666 1.00 0.00 C ATOM 240 CG ARG A 78 -1.773 -7.665 6.988 1.00 0.00 C ATOM 241 CD ARG A 78 -0.569 -6.762 6.794 1.00 0.00 C ATOM 242 NE ARG A 78 -0.246 -6.012 8.006 1.00 0.00 N ATOM 243 CZ ARG A 78 0.687 -6.368 8.888 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.386 -7.486 8.730 1.00 0.00 N ATOM 245 NH2 ARG A 78 0.914 -5.602 9.947 1.00 0.00 N ATOM 0 H ARG A 78 -3.344 -9.190 3.681 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.707 -9.572 6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.550 -9.034 5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.195 -7.471 4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.585 -7.100 7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.519 -8.473 7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.291 -7.363 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.766 -6.066 5.979 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.771 -5.157 8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.212 -8.087 7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.097 -7.744 9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.376 -4.746 10.082 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.627 -5.869 10.626 1.00 0.00 H new ATOM 259 N ALA A 79 -5.006 -7.590 7.295 1.00 0.00 N ATOM 260 CA ALA A 79 -5.965 -6.586 7.720 1.00 0.00 C ATOM 261 C ALA A 79 -5.575 -5.196 7.232 1.00 0.00 C ATOM 262 O ALA A 79 -4.393 -4.885 7.089 1.00 0.00 O ATOM 263 CB ALA A 79 -6.094 -6.593 9.236 1.00 0.00 C ATOM 0 H ALA A 79 -4.636 -8.168 8.050 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.928 -6.836 7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.816 -5.836 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.434 -7.574 9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.125 -6.374 9.685 1.00 0.00 H new ATOM 269 N ALA A 80 -6.581 -4.366 6.966 1.00 0.00 N ATOM 270 CA ALA A 80 -6.344 -3.001 6.514 1.00 0.00 C ATOM 271 C ALA A 80 -5.875 -2.143 7.682 1.00 0.00 C ATOM 272 O ALA A 80 -6.143 -2.467 8.840 1.00 0.00 O ATOM 273 CB ALA A 80 -7.604 -2.418 5.890 1.00 0.00 C ATOM 0 H ALA A 80 -7.566 -4.616 7.056 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.564 -3.012 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.408 -1.398 5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.902 -3.026 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.406 -2.411 6.628 1.00 0.00 H new ATOM 279 N GLY A 81 -5.186 -1.048 7.383 1.00 0.00 N ATOM 280 CA GLY A 81 -4.681 -0.194 8.440 1.00 0.00 C ATOM 281 C GLY A 81 -5.311 1.185 8.471 1.00 0.00 C ATOM 282 O GLY A 81 -6.528 1.332 8.350 1.00 0.00 O ATOM 0 H GLY A 81 -4.970 -0.738 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.851 -0.682 9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.603 -0.087 8.323 1.00 0.00 H new ATOM 286 N ASN A 82 -4.464 2.197 8.636 1.00 0.00 N ATOM 287 CA ASN A 82 -4.915 3.581 8.718 1.00 0.00 C ATOM 288 C ASN A 82 -4.474 4.395 7.500 1.00 0.00 C ATOM 289 O ASN A 82 -4.521 5.625 7.522 1.00 0.00 O ATOM 290 CB ASN A 82 -4.353 4.218 9.991 1.00 0.00 C ATOM 291 CG ASN A 82 -5.129 5.443 10.430 1.00 0.00 C ATOM 292 OD1 ASN A 82 -4.547 6.486 10.726 1.00 0.00 O ATOM 293 ND2 ASN A 82 -6.450 5.317 10.496 1.00 0.00 N ATOM 0 H ASN A 82 -3.454 2.082 8.716 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.005 3.582 8.741 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.362 3.481 10.794 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.312 4.494 9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.023 6.104 10.802 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.891 4.434 10.241 1.00 0.00 H new ATOM 300 N ALA A 83 -4.053 3.713 6.439 1.00 0.00 N ATOM 301 CA ALA A 83 -3.603 4.395 5.231 1.00 0.00 C ATOM 302 C ALA A 83 -4.621 4.271 4.105 1.00 0.00 C ATOM 303 O ALA A 83 -5.643 3.600 4.245 1.00 0.00 O ATOM 304 CB ALA A 83 -2.256 3.844 4.788 1.00 0.00 C ATOM 0 H ALA A 83 -4.014 2.695 6.391 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.497 5.454 5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.931 4.361 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.522 3.998 5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.349 2.778 4.582 1.00 0.00 H new ATOM 310 N SER A 84 -4.329 4.926 2.985 1.00 0.00 N ATOM 311 CA SER A 84 -5.209 4.893 1.825 1.00 0.00 C ATOM 312 C SER A 84 -4.403 4.940 0.531 1.00 0.00 C ATOM 313 O SER A 84 -3.400 5.647 0.438 1.00 0.00 O ATOM 314 CB SER A 84 -6.184 6.072 1.865 1.00 0.00 C ATOM 315 OG SER A 84 -6.957 6.058 3.051 1.00 0.00 O ATOM 0 H SER A 84 -3.487 5.487 2.858 1.00 0.00 H new ATOM 0 HA SER A 84 -5.771 3.959 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.629 7.008 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.843 6.032 0.998 1.00 0.00 H new ATOM 0 HG SER A 84 -7.570 6.823 3.051 1.00 0.00 H new ATOM 321 N PHE A 85 -4.847 4.179 -0.461 1.00 0.00 N ATOM 322 CA PHE A 85 -4.179 4.146 -1.756 1.00 0.00 C ATOM 323 C PHE A 85 -4.318 5.502 -2.442 1.00 0.00 C ATOM 324 O PHE A 85 -5.421 5.912 -2.803 1.00 0.00 O ATOM 325 CB PHE A 85 -4.789 3.046 -2.624 1.00 0.00 C ATOM 326 CG PHE A 85 -4.029 2.757 -3.886 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.794 2.128 -3.841 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.562 3.090 -5.120 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.106 1.841 -5.005 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.884 2.799 -6.285 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.655 2.174 -6.228 1.00 0.00 C ATOM 0 H PHE A 85 -5.667 3.576 -0.394 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.120 3.932 -1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.854 2.130 -2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.808 3.330 -2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.365 1.860 -2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.521 3.584 -5.171 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.141 1.357 -4.958 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.314 3.060 -7.241 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.123 1.945 -7.139 1.00 0.00 H new ATOM 341 N SER A 86 -3.200 6.198 -2.611 1.00 0.00 N ATOM 342 CA SER A 86 -3.213 7.517 -3.236 1.00 0.00 C ATOM 343 C SER A 86 -2.379 7.542 -4.512 1.00 0.00 C ATOM 344 O SER A 86 -1.930 6.502 -4.997 1.00 0.00 O ATOM 345 CB SER A 86 -2.677 8.563 -2.257 1.00 0.00 C ATOM 346 OG SER A 86 -1.313 8.322 -1.954 1.00 0.00 O ATOM 0 H SER A 86 -2.276 5.874 -2.326 1.00 0.00 H new ATOM 0 HA SER A 86 -4.245 7.749 -3.499 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.788 9.559 -2.686 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.266 8.544 -1.340 1.00 0.00 H new ATOM 0 HG SER A 86 -0.992 9.004 -1.328 1.00 0.00 H new ATOM 352 N LYS A 87 -2.200 8.740 -5.064 1.00 0.00 N ATOM 353 CA LYS A 87 -1.408 8.925 -6.275 1.00 0.00 C ATOM 354 C LYS A 87 0.086 8.855 -5.954 1.00 0.00 C ATOM 355 O LYS A 87 0.867 8.265 -6.698 1.00 0.00 O ATOM 356 CB LYS A 87 -1.747 10.263 -6.932 1.00 0.00 C ATOM 357 CG LYS A 87 -3.204 10.387 -7.357 1.00 0.00 C ATOM 358 CD LYS A 87 -3.392 10.076 -8.836 1.00 0.00 C ATOM 359 CE LYS A 87 -3.736 8.613 -9.069 1.00 0.00 C ATOM 360 NZ LYS A 87 -5.049 8.248 -8.466 1.00 0.00 N ATOM 0 H LYS A 87 -2.596 9.601 -4.688 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.650 8.123 -6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.511 11.069 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.110 10.400 -7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.815 9.708 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.558 11.397 -7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.185 10.704 -9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.480 10.325 -9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.760 8.412 -10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.954 7.984 -8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.447 7.430 -8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.915 8.005 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.702 9.054 -8.542 1.00 0.00 H new ATOM 374 N ARG A 88 0.472 9.477 -4.841 1.00 0.00 N ATOM 375 CA ARG A 88 1.866 9.478 -4.401 1.00 0.00 C ATOM 376 C ARG A 88 2.363 8.049 -4.234 1.00 0.00 C ATOM 377 O ARG A 88 3.416 7.681 -4.756 1.00 0.00 O ATOM 378 CB ARG A 88 1.990 10.249 -3.080 1.00 0.00 C ATOM 379 CG ARG A 88 3.324 10.071 -2.369 1.00 0.00 C ATOM 380 CD ARG A 88 3.164 9.290 -1.072 1.00 0.00 C ATOM 381 NE ARG A 88 2.075 9.811 -0.243 1.00 0.00 N ATOM 382 CZ ARG A 88 2.219 10.786 0.653 1.00 0.00 C ATOM 383 NH1 ARG A 88 3.397 11.371 0.828 1.00 0.00 N ATOM 384 NH2 ARG A 88 1.178 11.183 1.374 1.00 0.00 N ATOM 0 H ARG A 88 -0.162 9.987 -4.227 1.00 0.00 H new ATOM 0 HA ARG A 88 2.481 9.970 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.836 11.310 -3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.191 9.930 -2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.021 9.550 -3.025 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.757 11.048 -2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.973 8.242 -1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.097 9.328 -0.509 1.00 0.00 H new ATOM 0 HE ARG A 88 1.148 9.402 -0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.201 11.075 0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.499 12.117 1.516 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.268 10.742 1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.288 11.930 2.060 1.00 0.00 H new ATOM 398 N ILE A 89 1.599 7.248 -3.502 1.00 0.00 N ATOM 399 CA ILE A 89 1.952 5.855 -3.283 1.00 0.00 C ATOM 400 C ILE A 89 2.061 5.132 -4.622 1.00 0.00 C ATOM 401 O ILE A 89 2.966 4.327 -4.835 1.00 0.00 O ATOM 402 CB ILE A 89 0.919 5.157 -2.372 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.930 5.809 -0.986 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.203 3.666 -2.261 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.047 5.187 -0.012 1.00 0.00 C ATOM 0 H ILE A 89 0.732 7.541 -3.051 1.00 0.00 H new ATOM 0 HA ILE A 89 2.918 5.818 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.069 5.274 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.936 5.742 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.699 6.869 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.460 3.201 -1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.157 3.212 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.197 3.515 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.018 5.701 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.060 5.278 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.196 4.133 0.124 1.00 0.00 H new ATOM 417 N GLN A 90 1.133 5.434 -5.528 1.00 0.00 N ATOM 418 CA GLN A 90 1.139 4.841 -6.862 1.00 0.00 C ATOM 419 C GLN A 90 2.474 5.124 -7.530 1.00 0.00 C ATOM 420 O GLN A 90 3.105 4.239 -8.110 1.00 0.00 O ATOM 421 CB GLN A 90 -0.002 5.428 -7.697 1.00 0.00 C ATOM 422 CG GLN A 90 -0.075 4.900 -9.122 1.00 0.00 C ATOM 423 CD GLN A 90 0.961 5.526 -10.036 1.00 0.00 C ATOM 424 OE1 GLN A 90 1.457 6.623 -9.775 1.00 0.00 O ATOM 425 NE2 GLN A 90 1.279 4.840 -11.129 1.00 0.00 N ATOM 0 H GLN A 90 0.367 6.087 -5.361 1.00 0.00 H new ATOM 0 HA GLN A 90 0.996 3.763 -6.783 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.947 5.219 -7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.108 6.512 -7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.063 3.819 -9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.070 5.090 -9.524 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.845 3.935 -11.307 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.958 5.219 -11.790 1.00 0.00 H new ATOM 434 N LYS A 91 2.888 6.377 -7.431 1.00 0.00 N ATOM 435 CA LYS A 91 4.143 6.833 -7.988 1.00 0.00 C ATOM 436 C LYS A 91 5.311 6.130 -7.297 1.00 0.00 C ATOM 437 O LYS A 91 6.239 5.649 -7.949 1.00 0.00 O ATOM 438 CB LYS A 91 4.224 8.346 -7.804 1.00 0.00 C ATOM 439 CG LYS A 91 4.024 9.136 -9.088 1.00 0.00 C ATOM 440 CD LYS A 91 5.312 9.276 -9.880 1.00 0.00 C ATOM 441 CE LYS A 91 5.302 10.539 -10.726 1.00 0.00 C ATOM 442 NZ LYS A 91 5.076 11.758 -9.899 1.00 0.00 N ATOM 0 H LYS A 91 2.356 7.108 -6.958 1.00 0.00 H new ATOM 0 HA LYS A 91 4.199 6.593 -9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.471 8.654 -7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.196 8.599 -7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.272 8.642 -9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.638 10.126 -8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.161 9.299 -9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.443 8.406 -10.523 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.251 10.630 -11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.521 10.463 -11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.567 12.567 -10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.057 11.959 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.446 11.601 -8.940 1.00 0.00 H new ATOM 456 N SER A 92 5.246 6.066 -5.969 1.00 0.00 N ATOM 457 CA SER A 92 6.283 5.410 -5.182 1.00 0.00 C ATOM 458 C SER A 92 6.451 3.963 -5.631 1.00 0.00 C ATOM 459 O SER A 92 7.561 3.436 -5.662 1.00 0.00 O ATOM 460 CB SER A 92 5.935 5.462 -3.694 1.00 0.00 C ATOM 461 OG SER A 92 5.754 6.799 -3.259 1.00 0.00 O ATOM 0 H SER A 92 4.485 6.461 -5.417 1.00 0.00 H new ATOM 0 HA SER A 92 7.224 5.938 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.026 4.890 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.730 4.992 -3.115 1.00 0.00 H new ATOM 0 HG SER A 92 4.951 7.174 -3.678 1.00 0.00 H new ATOM 467 N ILE A 93 5.335 3.327 -5.977 1.00 0.00 N ATOM 468 CA ILE A 93 5.352 1.947 -6.446 1.00 0.00 C ATOM 469 C ILE A 93 5.971 1.871 -7.839 1.00 0.00 C ATOM 470 O ILE A 93 6.844 1.044 -8.100 1.00 0.00 O ATOM 471 CB ILE A 93 3.927 1.346 -6.487 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.329 1.290 -5.081 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.938 -0.046 -7.109 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.843 1.003 -5.069 1.00 0.00 C ATOM 0 H ILE A 93 4.406 3.747 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 93 5.952 1.368 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 93 3.307 1.993 -7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.844 0.521 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.512 2.240 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.924 -0.445 -7.125 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.321 0.014 -8.128 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.577 -0.703 -6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.486 0.978 -4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.317 1.785 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.655 0.039 -5.542 1.00 0.00 H new ATOM 486 N SER A 94 5.510 2.748 -8.726 1.00 0.00 N ATOM 487 CA SER A 94 6.006 2.788 -10.095 1.00 0.00 C ATOM 488 C SER A 94 7.528 2.872 -10.124 1.00 0.00 C ATOM 489 O SER A 94 8.175 2.248 -10.965 1.00 0.00 O ATOM 490 CB SER A 94 5.400 3.976 -10.843 1.00 0.00 C ATOM 491 OG SER A 94 5.797 3.979 -12.204 1.00 0.00 O ATOM 0 H SER A 94 4.792 3.442 -8.519 1.00 0.00 H new ATOM 0 HA SER A 94 5.706 1.865 -10.590 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.313 3.934 -10.778 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.712 4.906 -10.368 1.00 0.00 H new ATOM 0 HG SER A 94 5.395 4.747 -12.660 1.00 0.00 H new ATOM 497 N GLN A 95 8.097 3.651 -9.209 1.00 0.00 N ATOM 498 CA GLN A 95 9.545 3.799 -9.137 1.00 0.00 C ATOM 499 C GLN A 95 10.177 2.492 -8.676 1.00 0.00 C ATOM 500 O GLN A 95 11.208 2.065 -9.198 1.00 0.00 O ATOM 501 CB GLN A 95 9.928 4.934 -8.185 1.00 0.00 C ATOM 502 CG GLN A 95 11.310 5.509 -8.452 1.00 0.00 C ATOM 503 CD GLN A 95 11.277 6.688 -9.407 1.00 0.00 C ATOM 504 OE1 GLN A 95 10.346 6.836 -10.199 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.301 7.530 -9.343 1.00 0.00 N ATOM 0 H GLN A 95 7.580 4.186 -8.511 1.00 0.00 H new ATOM 0 HA GLN A 95 9.918 4.046 -10.131 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.189 5.731 -8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.888 4.567 -7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.757 5.823 -7.509 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.950 4.729 -8.865 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.052 7.370 -8.671 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.337 8.337 -9.965 1.00 0.00 H new ATOM 514 N LYS A 96 9.545 1.860 -7.692 1.00 0.00 N ATOM 515 CA LYS A 96 10.026 0.590 -7.162 1.00 0.00 C ATOM 516 C LYS A 96 10.060 -0.467 -8.255 1.00 0.00 C ATOM 517 O LYS A 96 10.989 -1.271 -8.327 1.00 0.00 O ATOM 518 CB LYS A 96 9.111 0.093 -6.042 1.00 0.00 C ATOM 519 CG LYS A 96 9.197 0.887 -4.755 1.00 0.00 C ATOM 520 CD LYS A 96 8.236 0.334 -3.716 1.00 0.00 C ATOM 521 CE LYS A 96 8.409 1.020 -2.375 1.00 0.00 C ATOM 522 NZ LYS A 96 8.164 2.484 -2.465 1.00 0.00 N ATOM 0 H LYS A 96 8.697 2.208 -7.245 1.00 0.00 H new ATOM 0 HA LYS A 96 11.031 0.755 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.081 0.113 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.354 -0.948 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.216 0.854 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.965 1.934 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.211 0.464 -4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.400 -0.737 -3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.722 0.581 -1.651 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.419 0.843 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.091 2.883 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.952 2.937 -2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.277 2.657 -2.981 1.00 0.00 H new ATOM 536 N LYS A 97 9.033 -0.455 -9.102 1.00 0.00 N ATOM 537 CA LYS A 97 8.910 -1.433 -10.172 1.00 0.00 C ATOM 538 C LYS A 97 8.647 -2.807 -9.571 1.00 0.00 C ATOM 539 O LYS A 97 9.413 -3.749 -9.773 1.00 0.00 O ATOM 540 CB LYS A 97 10.173 -1.456 -11.038 1.00 0.00 C ATOM 541 CG LYS A 97 10.046 -0.664 -12.330 1.00 0.00 C ATOM 542 CD LYS A 97 9.560 -1.537 -13.475 1.00 0.00 C ATOM 543 CE LYS A 97 10.277 -1.198 -14.772 1.00 0.00 C ATOM 544 NZ LYS A 97 10.179 0.252 -15.101 1.00 0.00 N ATOM 0 H LYS A 97 8.274 0.225 -9.065 1.00 0.00 H new ATOM 0 HA LYS A 97 8.074 -1.155 -10.813 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.006 -1.058 -10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.418 -2.490 -11.279 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.353 0.164 -12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.012 -0.229 -12.588 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.724 -2.586 -13.230 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.486 -1.404 -13.605 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.326 -1.481 -14.691 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.851 -1.784 -15.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.449 0.402 -16.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.201 0.576 -14.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.818 0.792 -14.483 1.00 0.00 H new ATOM 558 N VAL A 98 7.553 -2.903 -8.819 1.00 0.00 N ATOM 559 CA VAL A 98 7.176 -4.146 -8.159 1.00 0.00 C ATOM 560 C VAL A 98 5.857 -4.692 -8.700 1.00 0.00 C ATOM 561 O VAL A 98 5.154 -4.018 -9.452 1.00 0.00 O ATOM 562 CB VAL A 98 7.049 -3.945 -6.638 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.391 -3.550 -6.042 1.00 0.00 C ATOM 564 CG2 VAL A 98 5.990 -2.899 -6.323 1.00 0.00 C ATOM 0 H VAL A 98 6.910 -2.129 -8.652 1.00 0.00 H new ATOM 0 HA VAL A 98 7.967 -4.866 -8.367 1.00 0.00 H new ATOM 0 HB VAL A 98 6.738 -4.888 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.285 -3.412 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.121 -4.336 -6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.731 -2.619 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.915 -2.771 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.268 -1.950 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.028 -3.225 -6.717 1.00 0.00 H new ATOM 574 N LYS A 99 5.528 -5.918 -8.300 1.00 0.00 N ATOM 575 CA LYS A 99 4.300 -6.570 -8.746 1.00 0.00 C ATOM 576 C LYS A 99 3.140 -6.307 -7.787 1.00 0.00 C ATOM 577 O LYS A 99 2.351 -7.206 -7.494 1.00 0.00 O ATOM 578 CB LYS A 99 4.529 -8.076 -8.891 1.00 0.00 C ATOM 579 CG LYS A 99 5.274 -8.460 -10.159 1.00 0.00 C ATOM 580 CD LYS A 99 4.312 -8.774 -11.295 1.00 0.00 C ATOM 581 CE LYS A 99 4.773 -8.158 -12.605 1.00 0.00 C ATOM 582 NZ LYS A 99 4.823 -6.672 -12.531 1.00 0.00 N ATOM 0 H LYS A 99 6.096 -6.481 -7.667 1.00 0.00 H new ATOM 0 HA LYS A 99 4.033 -6.148 -9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.090 -8.434 -8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.565 -8.584 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.935 -7.646 -10.455 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.904 -9.328 -9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.225 -9.854 -11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.319 -8.400 -11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.761 -8.542 -12.860 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.098 -8.459 -13.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.686 -6.272 -13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.070 -6.330 -11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.748 -6.374 -12.160 1.00 0.00 H new ATOM 596 N ILE A 100 3.042 -5.075 -7.301 1.00 0.00 N ATOM 597 CA ILE A 100 1.962 -4.696 -6.397 1.00 0.00 C ATOM 598 C ILE A 100 1.047 -3.679 -7.069 1.00 0.00 C ATOM 599 O ILE A 100 1.477 -2.585 -7.433 1.00 0.00 O ATOM 600 CB ILE A 100 2.500 -4.119 -5.063 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.249 -5.203 -4.286 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.371 -3.547 -4.207 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.683 -4.765 -2.904 1.00 0.00 C ATOM 0 H ILE A 100 3.696 -4.323 -7.517 1.00 0.00 H new ATOM 0 HA ILE A 100 1.398 -5.599 -6.165 1.00 0.00 H new ATOM 0 HB ILE A 100 3.186 -3.306 -5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.610 -6.081 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.128 -5.505 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.783 -3.151 -3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.870 -2.747 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.653 -4.335 -3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.208 -5.583 -2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.348 -3.905 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.806 -4.490 -2.317 1.00 0.00 H new ATOM 615 N GLU A 101 -0.214 -4.051 -7.233 1.00 0.00 N ATOM 616 CA GLU A 101 -1.191 -3.175 -7.860 1.00 0.00 C ATOM 617 C GLU A 101 -2.487 -3.172 -7.066 1.00 0.00 C ATOM 618 O GLU A 101 -2.649 -3.945 -6.121 1.00 0.00 O ATOM 619 CB GLU A 101 -1.456 -3.613 -9.300 1.00 0.00 C ATOM 620 CG GLU A 101 -1.918 -5.054 -9.422 1.00 0.00 C ATOM 621 CD GLU A 101 -1.970 -5.527 -10.860 1.00 0.00 C ATOM 622 OE1 GLU A 101 -1.748 -4.695 -11.766 1.00 0.00 O ATOM 623 OE2 GLU A 101 -2.232 -6.727 -11.082 1.00 0.00 O ATOM 0 H GLU A 101 -0.584 -4.955 -6.940 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.787 -2.163 -7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.212 -2.960 -9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.545 -3.482 -9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.245 -5.697 -8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.907 -5.154 -8.974 1.00 0.00 H new ATOM 630 N LEU A 102 -3.411 -2.305 -7.450 1.00 0.00 N ATOM 631 CA LEU A 102 -4.679 -2.216 -6.751 1.00 0.00 C ATOM 632 C LEU A 102 -5.715 -3.169 -7.322 1.00 0.00 C ATOM 633 O LEU A 102 -5.877 -3.287 -8.537 1.00 0.00 O ATOM 634 CB LEU A 102 -5.241 -0.796 -6.801 1.00 0.00 C ATOM 635 CG LEU A 102 -6.621 -0.665 -6.156 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.530 -0.040 -4.780 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.570 0.115 -7.038 1.00 0.00 C ATOM 0 H LEU A 102 -3.307 -1.660 -8.234 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.475 -2.495 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.548 -0.121 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.302 -0.474 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.021 -1.672 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.528 0.039 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.906 -0.662 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.090 0.954 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.542 0.190 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.171 1.115 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.682 -0.397 -7.994 1.00 0.00 H new ATOM 649 N ASP A 103 -6.422 -3.835 -6.422 1.00 0.00 N ATOM 650 CA ASP A 103 -7.488 -4.740 -6.805 1.00 0.00 C ATOM 651 C ASP A 103 -8.727 -3.913 -7.107 1.00 0.00 C ATOM 652 O ASP A 103 -9.057 -2.995 -6.358 1.00 0.00 O ATOM 653 CB ASP A 103 -7.791 -5.707 -5.670 1.00 0.00 C ATOM 654 CG ASP A 103 -8.641 -6.885 -6.116 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.436 -7.371 -7.249 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.506 -7.328 -5.330 1.00 0.00 O ATOM 0 H ASP A 103 -6.273 -3.763 -5.415 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.187 -5.315 -7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.854 -6.077 -5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.307 -5.174 -4.871 1.00 0.00 H new ATOM 661 N LYS A 104 -9.413 -4.228 -8.190 1.00 0.00 N ATOM 662 CA LYS A 104 -10.600 -3.473 -8.564 1.00 0.00 C ATOM 663 C LYS A 104 -11.865 -4.113 -8.002 1.00 0.00 C ATOM 664 O LYS A 104 -12.887 -3.447 -7.839 1.00 0.00 O ATOM 665 CB LYS A 104 -10.686 -3.355 -10.085 1.00 0.00 C ATOM 666 CG LYS A 104 -9.326 -3.214 -10.752 1.00 0.00 C ATOM 667 CD LYS A 104 -9.447 -2.729 -12.185 1.00 0.00 C ATOM 668 CE LYS A 104 -8.237 -3.137 -13.010 1.00 0.00 C ATOM 669 NZ LYS A 104 -6.959 -2.891 -12.287 1.00 0.00 N ATOM 0 H LYS A 104 -9.174 -4.992 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.518 -2.474 -8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.190 -4.236 -10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.301 -2.493 -10.342 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.713 -2.515 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.812 -4.175 -10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.351 -3.139 -12.635 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.549 -1.644 -12.197 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.312 -4.194 -13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.235 -2.583 -13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.168 -2.921 -12.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.992 -1.956 -11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.824 -3.624 -11.562 1.00 0.00 H new ATOM 683 N SER A 105 -11.790 -5.403 -7.700 1.00 0.00 N ATOM 684 CA SER A 105 -12.932 -6.124 -7.150 1.00 0.00 C ATOM 685 C SER A 105 -13.180 -5.753 -5.686 1.00 0.00 C ATOM 686 O SER A 105 -14.157 -6.202 -5.086 1.00 0.00 O ATOM 687 CB SER A 105 -12.707 -7.633 -7.270 1.00 0.00 C ATOM 688 OG SER A 105 -13.756 -8.357 -6.650 1.00 0.00 O ATOM 0 H SER A 105 -10.952 -5.971 -7.826 1.00 0.00 H new ATOM 0 HA SER A 105 -13.813 -5.838 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.641 -7.911 -8.322 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.756 -7.900 -6.810 1.00 0.00 H new ATOM 0 HG SER A 105 -14.247 -7.765 -6.042 1.00 0.00 H new ATOM 694 N ALA A 106 -12.300 -4.928 -5.111 1.00 0.00 N ATOM 695 CA ALA A 106 -12.438 -4.521 -3.716 1.00 0.00 C ATOM 696 C ALA A 106 -13.694 -3.690 -3.494 1.00 0.00 C ATOM 697 O ALA A 106 -14.588 -3.646 -4.339 1.00 0.00 O ATOM 698 CB ALA A 106 -11.212 -3.745 -3.255 1.00 0.00 C ATOM 0 H ALA A 106 -11.490 -4.533 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.526 -5.431 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.338 -3.452 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.326 -4.373 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.093 -2.853 -3.871 1.00 0.00 H new ATOM 704 N ARG A 107 -13.747 -3.041 -2.339 1.00 0.00 N ATOM 705 CA ARG A 107 -14.883 -2.211 -1.969 1.00 0.00 C ATOM 706 C ARG A 107 -14.435 -0.821 -1.523 1.00 0.00 C ATOM 707 O ARG A 107 -15.111 0.175 -1.782 1.00 0.00 O ATOM 708 CB ARG A 107 -15.648 -2.894 -0.838 1.00 0.00 C ATOM 709 CG ARG A 107 -17.042 -2.339 -0.601 1.00 0.00 C ATOM 710 CD ARG A 107 -18.097 -3.424 -0.745 1.00 0.00 C ATOM 711 NE ARG A 107 -17.669 -4.685 -0.143 1.00 0.00 N ATOM 712 CZ ARG A 107 -18.351 -5.820 -0.245 1.00 0.00 C ATOM 713 NH1 ARG A 107 -19.512 -5.844 -0.884 1.00 0.00 N ATOM 714 NH2 ARG A 107 -17.874 -6.931 0.300 1.00 0.00 N ATOM 0 H ARG A 107 -13.008 -3.075 -1.637 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.525 -2.090 -2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.726 -3.958 -1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -15.072 -2.801 0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.098 -1.903 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -17.242 -1.537 -1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -19.024 -3.094 -0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.314 -3.581 -1.802 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.797 -4.694 0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.884 -4.989 -1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.034 -6.717 -0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.984 -6.914 0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -18.398 -7.803 0.222 1.00 0.00 H new ATOM 728 N HIS A 108 -13.287 -0.759 -0.856 1.00 0.00 N ATOM 729 CA HIS A 108 -12.763 0.500 -0.351 1.00 0.00 C ATOM 730 C HIS A 108 -11.288 0.677 -0.697 1.00 0.00 C ATOM 731 O HIS A 108 -10.649 -0.225 -1.240 1.00 0.00 O ATOM 732 CB HIS A 108 -12.940 0.535 1.162 1.00 0.00 C ATOM 733 CG HIS A 108 -12.393 -0.688 1.836 1.00 0.00 C ATOM 734 ND1 HIS A 108 -11.047 -0.977 1.905 1.00 0.00 N ATOM 735 CD2 HIS A 108 -13.023 -1.711 2.458 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.874 -2.121 2.542 1.00 0.00 C ATOM 737 NE2 HIS A 108 -12.058 -2.585 2.892 1.00 0.00 N ATOM 0 H HIS A 108 -12.702 -1.570 -0.653 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.313 1.315 -0.821 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.442 1.419 1.562 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.000 0.632 1.398 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -10.300 -0.397 1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -14.089 -1.820 2.589 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.925 -2.596 2.742 1.00 0.00 H new ATOM 746 N LEU A 109 -10.754 1.850 -0.369 1.00 0.00 N ATOM 747 CA LEU A 109 -9.353 2.157 -0.626 1.00 0.00 C ATOM 748 C LEU A 109 -8.577 2.247 0.685 1.00 0.00 C ATOM 749 O LEU A 109 -8.219 3.335 1.133 1.00 0.00 O ATOM 750 CB LEU A 109 -9.224 3.471 -1.400 1.00 0.00 C ATOM 751 CG LEU A 109 -9.872 3.475 -2.785 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.078 4.900 -3.273 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.022 2.690 -3.772 1.00 0.00 C ATOM 0 H LEU A 109 -11.274 2.606 0.077 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.933 1.352 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.668 4.270 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.166 3.707 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.847 2.993 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.540 4.883 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.727 5.433 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.115 5.407 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.498 2.703 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.033 3.144 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.925 1.660 -3.430 1.00 0.00 H new ATOM 765 N TYR A 110 -8.334 1.094 1.298 1.00 0.00 N ATOM 766 CA TYR A 110 -7.598 1.029 2.556 1.00 0.00 C ATOM 767 C TYR A 110 -6.542 -0.060 2.491 1.00 0.00 C ATOM 768 O TYR A 110 -6.853 -1.230 2.271 1.00 0.00 O ATOM 769 CB TYR A 110 -8.540 0.758 3.732 1.00 0.00 C ATOM 770 CG TYR A 110 -9.442 1.922 4.077 1.00 0.00 C ATOM 771 CD1 TYR A 110 -10.675 2.065 3.465 1.00 0.00 C ATOM 772 CD2 TYR A 110 -9.061 2.870 5.017 1.00 0.00 C ATOM 773 CE1 TYR A 110 -11.509 3.124 3.774 1.00 0.00 C ATOM 774 CE2 TYR A 110 -9.888 3.932 5.334 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.110 4.054 4.710 1.00 0.00 C ATOM 776 OH TYR A 110 -11.935 5.110 5.024 1.00 0.00 O ATOM 0 H TYR A 110 -8.637 0.187 0.942 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.116 1.994 2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.157 -0.110 3.498 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.946 0.500 4.608 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -10.992 1.337 2.733 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -8.104 2.777 5.508 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -12.467 3.222 3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -9.577 4.662 6.067 1.00 0.00 H new ATOM 0 HH TYR A 110 -11.504 5.671 5.702 1.00 0.00 H new ATOM 786 N ILE A 111 -5.291 0.331 2.677 1.00 0.00 N ATOM 787 CA ILE A 111 -4.190 -0.615 2.642 1.00 0.00 C ATOM 788 C ILE A 111 -3.754 -0.996 4.049 1.00 0.00 C ATOM 789 O ILE A 111 -4.043 -0.287 5.014 1.00 0.00 O ATOM 790 CB ILE A 111 -2.981 -0.044 1.880 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.537 1.278 2.508 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.320 0.145 0.409 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.299 1.866 1.871 1.00 0.00 C ATOM 0 H ILE A 111 -5.014 1.297 2.854 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.551 -1.502 2.121 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.156 -0.753 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.352 1.998 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.349 1.121 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.454 0.550 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.592 -0.816 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.157 0.837 0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.044 2.802 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.471 1.165 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.489 2.056 0.815 1.00 0.00 H new ATOM 805 N CYS A 112 -3.068 -2.122 4.158 1.00 0.00 N ATOM 806 CA CYS A 112 -2.582 -2.596 5.446 1.00 0.00 C ATOM 807 C CYS A 112 -1.363 -1.793 5.885 1.00 0.00 C ATOM 808 O CYS A 112 -0.704 -1.150 5.068 1.00 0.00 O ATOM 809 CB CYS A 112 -2.229 -4.081 5.362 1.00 0.00 C ATOM 810 SG CYS A 112 -1.167 -4.505 3.965 1.00 0.00 S ATOM 0 H CYS A 112 -2.834 -2.726 3.370 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.372 -2.461 6.185 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.733 -4.379 6.286 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.150 -4.660 5.294 1.00 0.00 H new ATOM 815 N ASP A 113 -1.070 -1.830 7.179 1.00 0.00 N ATOM 816 CA ASP A 113 0.072 -1.106 7.722 1.00 0.00 C ATOM 817 C ASP A 113 1.372 -1.635 7.123 1.00 0.00 C ATOM 818 O ASP A 113 2.323 -0.884 6.904 1.00 0.00 O ATOM 819 CB ASP A 113 0.099 -1.241 9.247 1.00 0.00 C ATOM 820 CG ASP A 113 1.019 -0.231 9.903 1.00 0.00 C ATOM 821 OD1 ASP A 113 0.759 0.984 9.767 1.00 0.00 O ATOM 822 OD2 ASP A 113 1.998 -0.653 10.553 1.00 0.00 O ATOM 0 H ASP A 113 -1.607 -2.353 7.871 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.025 -0.052 7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.911 -1.115 9.638 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.421 -2.248 9.514 1.00 0.00 H new ATOM 827 N TYR A 114 1.393 -2.935 6.848 1.00 0.00 N ATOM 828 CA TYR A 114 2.563 -3.589 6.273 1.00 0.00 C ATOM 829 C TYR A 114 3.022 -2.881 5.000 1.00 0.00 C ATOM 830 O TYR A 114 4.138 -2.359 4.931 1.00 0.00 O ATOM 831 CB TYR A 114 2.228 -5.052 5.969 1.00 0.00 C ATOM 832 CG TYR A 114 3.406 -5.877 5.501 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.257 -6.486 6.415 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.660 -6.059 4.147 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.330 -7.249 5.993 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.729 -6.822 3.717 1.00 0.00 C ATOM 837 CZ TYR A 114 5.561 -7.415 4.643 1.00 0.00 C ATOM 838 OH TYR A 114 6.626 -8.176 4.220 1.00 0.00 O ATOM 0 H TYR A 114 0.606 -3.561 7.016 1.00 0.00 H new ATOM 0 HA TYR A 114 3.378 -3.540 6.995 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.812 -5.511 6.866 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.451 -5.083 5.205 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.077 -6.361 7.473 1.00 0.00 H new ATOM 0 HD2 TYR A 114 3.011 -5.596 3.418 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.984 -7.713 6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.912 -6.953 2.661 1.00 0.00 H new ATOM 0 HH TYR A 114 6.647 -8.193 3.240 1.00 0.00 H new ATOM 848 N HIS A 115 2.150 -2.853 3.998 1.00 0.00 N ATOM 849 CA HIS A 115 2.471 -2.223 2.723 1.00 0.00 C ATOM 850 C HIS A 115 2.691 -0.719 2.879 1.00 0.00 C ATOM 851 O HIS A 115 3.479 -0.125 2.145 1.00 0.00 O ATOM 852 CB HIS A 115 1.368 -2.500 1.699 1.00 0.00 C ATOM 853 CG HIS A 115 1.424 -3.886 1.125 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.302 -4.674 1.032 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.485 -4.568 0.628 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.699 -5.808 0.484 1.00 0.00 C ATOM 857 NE2 HIS A 115 2.015 -5.792 0.222 1.00 0.00 N ATOM 0 H HIS A 115 1.216 -3.259 4.044 1.00 0.00 H new ATOM 0 HA HIS A 115 3.404 -2.657 2.363 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.397 -2.349 2.171 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.444 -1.775 0.888 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.504 -4.216 0.564 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.047 -6.643 0.273 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.561 -6.544 -0.198 1.00 0.00 H new ATOM 865 N LYS A 116 1.999 -0.106 3.835 1.00 0.00 N ATOM 866 CA LYS A 116 2.146 1.328 4.067 1.00 0.00 C ATOM 867 C LYS A 116 3.575 1.657 4.486 1.00 0.00 C ATOM 868 O LYS A 116 4.226 2.518 3.894 1.00 0.00 O ATOM 869 CB LYS A 116 1.176 1.810 5.148 1.00 0.00 C ATOM 870 CG LYS A 116 1.132 3.324 5.283 1.00 0.00 C ATOM 871 CD LYS A 116 0.699 3.758 6.675 1.00 0.00 C ATOM 872 CE LYS A 116 1.788 3.501 7.705 1.00 0.00 C ATOM 873 NZ LYS A 116 3.072 4.161 7.334 1.00 0.00 N ATOM 0 H LYS A 116 1.338 -0.573 4.456 1.00 0.00 H new ATOM 0 HA LYS A 116 1.916 1.841 3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.176 1.443 4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.464 1.375 6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.117 3.737 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.443 3.734 4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.450 4.819 6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.206 3.221 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.460 3.866 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.947 2.427 7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.663 4.273 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.575 3.575 6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.876 5.096 6.923 1.00 0.00 H new ATOM 887 N ASN A 117 4.051 0.961 5.512 1.00 0.00 N ATOM 888 CA ASN A 117 5.399 1.169 6.024 1.00 0.00 C ATOM 889 C ASN A 117 6.445 0.777 4.985 1.00 0.00 C ATOM 890 O ASN A 117 7.538 1.343 4.945 1.00 0.00 O ATOM 891 CB ASN A 117 5.598 0.353 7.306 1.00 0.00 C ATOM 892 CG ASN A 117 6.972 0.545 7.918 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.867 -0.278 7.733 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.144 1.639 8.651 1.00 0.00 N ATOM 0 H ASN A 117 3.520 0.245 6.007 1.00 0.00 H new ATOM 0 HA ASN A 117 5.524 2.229 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.838 0.638 8.034 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.448 -0.704 7.085 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.047 1.824 9.087 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.373 2.295 8.778 1.00 0.00 H new ATOM 901 N LEU A 118 6.102 -0.191 4.145 1.00 0.00 N ATOM 902 CA LEU A 118 7.011 -0.666 3.107 1.00 0.00 C ATOM 903 C LEU A 118 7.118 0.328 1.949 1.00 0.00 C ATOM 904 O LEU A 118 8.212 0.605 1.456 1.00 0.00 O ATOM 905 CB LEU A 118 6.526 -2.024 2.587 1.00 0.00 C ATOM 906 CG LEU A 118 7.585 -2.884 1.890 1.00 0.00 C ATOM 907 CD1 LEU A 118 7.110 -4.325 1.786 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.905 -2.333 0.510 1.00 0.00 C ATOM 0 H LEU A 118 5.199 -0.664 4.162 1.00 0.00 H new ATOM 0 HA LEU A 118 8.003 -0.768 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.119 -2.589 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.706 -1.854 1.890 1.00 0.00 H new ATOM 0 HG LEU A 118 8.496 -2.857 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.872 -4.924 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.931 -4.722 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.186 -4.363 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.659 -2.960 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.001 -2.328 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.285 -1.316 0.604 1.00 0.00 H new ATOM 920 N ILE A 119 5.983 0.880 1.535 1.00 0.00 N ATOM 921 CA ILE A 119 5.940 1.811 0.408 1.00 0.00 C ATOM 922 C ILE A 119 6.384 3.231 0.778 1.00 0.00 C ATOM 923 O ILE A 119 7.041 3.903 -0.017 1.00 0.00 O ATOM 924 CB ILE A 119 4.520 1.859 -0.198 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.132 0.473 -0.715 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.433 2.888 -1.318 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.712 0.391 -1.230 1.00 0.00 C ATOM 0 H ILE A 119 5.075 0.699 1.964 1.00 0.00 H new ATOM 0 HA ILE A 119 6.651 1.431 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 119 3.822 2.159 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.816 0.189 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.260 -0.253 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.422 2.899 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.676 3.875 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.139 2.628 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.510 -0.621 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.019 0.643 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.583 1.092 -2.055 1.00 0.00 H new ATOM 939 N GLN A 120 6.033 3.681 1.972 1.00 0.00 N ATOM 940 CA GLN A 120 6.375 5.035 2.408 1.00 0.00 C ATOM 941 C GLN A 120 7.865 5.219 2.703 1.00 0.00 C ATOM 942 O GLN A 120 8.395 6.319 2.549 1.00 0.00 O ATOM 943 CB GLN A 120 5.583 5.399 3.666 1.00 0.00 C ATOM 944 CG GLN A 120 4.284 6.124 3.394 1.00 0.00 C ATOM 945 CD GLN A 120 4.132 7.370 4.246 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.675 7.306 5.388 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.508 8.516 3.691 1.00 0.00 N ATOM 0 H GLN A 120 5.513 3.134 2.658 1.00 0.00 H new ATOM 0 HA GLN A 120 6.117 5.692 1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.367 4.487 4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.207 6.023 4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.237 6.399 2.340 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.448 5.451 3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.882 8.525 2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.423 9.388 4.214 1.00 0.00 H new ATOM 956 N SER A 121 8.544 4.149 3.104 1.00 0.00 N ATOM 957 CA SER A 121 9.956 4.248 3.487 1.00 0.00 C ATOM 958 C SER A 121 10.940 4.132 2.319 1.00 0.00 C ATOM 959 O SER A 121 12.112 3.820 2.534 1.00 0.00 O ATOM 960 CB SER A 121 10.285 3.191 4.539 1.00 0.00 C ATOM 961 OG SER A 121 10.329 1.898 3.968 1.00 0.00 O ATOM 0 H SER A 121 8.149 3.211 3.173 1.00 0.00 H new ATOM 0 HA SER A 121 10.082 5.253 3.890 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.245 3.420 5.001 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.536 3.217 5.331 1.00 0.00 H new ATOM 0 HG SER A 121 9.482 1.435 4.140 1.00 0.00 H new ATOM 967 N VAL A 122 10.493 4.382 1.094 1.00 0.00 N ATOM 968 CA VAL A 122 11.399 4.320 -0.053 1.00 0.00 C ATOM 969 C VAL A 122 11.499 5.682 -0.735 1.00 0.00 C ATOM 970 O VAL A 122 12.548 6.046 -1.267 1.00 0.00 O ATOM 971 CB VAL A 122 10.980 3.251 -1.080 1.00 0.00 C ATOM 972 CG1 VAL A 122 11.948 3.230 -2.255 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.912 1.885 -0.416 1.00 0.00 C ATOM 0 H VAL A 122 9.528 4.625 0.868 1.00 0.00 H new ATOM 0 HA VAL A 122 12.376 4.035 0.337 1.00 0.00 H new ATOM 0 HB VAL A 122 9.990 3.501 -1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.636 2.469 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 122 11.951 4.205 -2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 122 12.951 3.001 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.615 1.137 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.891 1.628 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.181 1.909 0.392 1.00 0.00 H new ATOM 983 N ARG A 123 10.402 6.429 -0.713 1.00 0.00 N ATOM 984 CA ARG A 123 10.370 7.760 -1.303 1.00 0.00 C ATOM 985 C ARG A 123 10.108 8.796 -0.217 1.00 0.00 C ATOM 986 O ARG A 123 9.372 9.762 -0.421 1.00 0.00 O ATOM 987 CB ARG A 123 9.296 7.844 -2.389 1.00 0.00 C ATOM 988 CG ARG A 123 9.521 6.876 -3.540 1.00 0.00 C ATOM 989 CD ARG A 123 9.470 7.582 -4.885 1.00 0.00 C ATOM 990 NE ARG A 123 10.554 8.551 -5.037 1.00 0.00 N ATOM 991 CZ ARG A 123 10.684 9.353 -6.090 1.00 0.00 C ATOM 992 NH1 ARG A 123 9.797 9.306 -7.075 1.00 0.00 N ATOM 993 NH2 ARG A 123 11.699 10.203 -6.157 1.00 0.00 N ATOM 0 H ARG A 123 9.521 6.134 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 123 11.336 7.963 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 123 8.322 7.645 -1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 123 9.265 8.861 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 123 10.488 6.388 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.763 6.093 -3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 123 9.529 6.843 -5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.512 8.091 -4.991 1.00 0.00 H new ATOM 0 HE ARG A 123 11.250 8.616 -4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.014 8.654 -7.025 1.00 0.00 H new ATOM 0 HH12 ARG A 123 9.898 9.922 -7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.382 10.243 -5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 123 11.797 10.817 -6.965 1.00 0.00 H new ATOM 1007 N ASN A 124 10.723 8.579 0.940 1.00 0.00 N ATOM 1008 CA ASN A 124 10.570 9.475 2.079 1.00 0.00 C ATOM 1009 C ASN A 124 11.836 9.463 2.930 1.00 0.00 C ATOM 1010 O ASN A 124 11.946 8.691 3.883 1.00 0.00 O ATOM 1011 CB ASN A 124 9.366 9.042 2.920 1.00 0.00 C ATOM 1012 CG ASN A 124 8.753 10.187 3.699 1.00 0.00 C ATOM 1013 OD1 ASN A 124 8.781 11.338 3.261 1.00 0.00 O ATOM 1014 ND2 ASN A 124 8.190 9.877 4.862 1.00 0.00 N ATOM 0 H ASN A 124 11.337 7.783 1.114 1.00 0.00 H new ATOM 0 HA ASN A 124 10.404 10.489 1.715 1.00 0.00 H new ATOM 0 HB2 ASN A 124 8.610 8.607 2.267 1.00 0.00 H new ATOM 0 HB3 ASN A 124 9.675 8.261 3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 124 7.758 10.606 5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 124 8.189 8.910 5.187 1.00 0.00 H new ATOM 1021 N ARG A 125 12.796 10.314 2.579 1.00 0.00 N ATOM 1022 CA ARG A 125 14.054 10.373 3.312 1.00 0.00 C ATOM 1023 C ARG A 125 14.563 11.806 3.447 1.00 0.00 C ATOM 1024 O ARG A 125 14.694 12.531 2.461 1.00 0.00 O ATOM 1025 CB ARG A 125 15.108 9.511 2.615 1.00 0.00 C ATOM 1026 CG ARG A 125 16.461 9.526 3.306 1.00 0.00 C ATOM 1027 CD ARG A 125 17.492 8.725 2.531 1.00 0.00 C ATOM 1028 NE ARG A 125 18.758 9.450 2.398 1.00 0.00 N ATOM 1029 CZ ARG A 125 19.217 9.991 1.264 1.00 0.00 C ATOM 1030 NH1 ARG A 125 18.524 9.918 0.130 1.00 0.00 N ATOM 1031 NH2 ARG A 125 20.384 10.619 1.268 1.00 0.00 N ATOM 0 H ARG A 125 12.727 10.967 1.798 1.00 0.00 H new ATOM 0 HA ARG A 125 13.871 9.987 4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 125 14.748 8.484 2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 125 15.229 9.859 1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 125 16.804 10.555 3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 125 16.362 9.117 4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.669 7.775 3.036 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.101 8.492 1.541 1.00 0.00 H new ATOM 0 HE ARG A 125 19.334 9.550 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.622 9.442 0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 125 18.895 10.338 -0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 125 20.924 10.687 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 125 20.742 11.035 0.408 1.00 0.00 H new ATOM 1045 N ARG A 126 14.852 12.198 4.684 1.00 0.00 N ATOM 1046 CA ARG A 126 15.360 13.532 4.977 1.00 0.00 C ATOM 1047 C ARG A 126 16.599 13.439 5.862 1.00 0.00 C ATOM 1048 O ARG A 126 16.848 12.407 6.485 1.00 0.00 O ATOM 1049 CB ARG A 126 14.283 14.370 5.670 1.00 0.00 C ATOM 1050 CG ARG A 126 13.411 15.164 4.711 1.00 0.00 C ATOM 1051 CD ARG A 126 11.976 15.258 5.208 1.00 0.00 C ATOM 1052 NE ARG A 126 11.904 15.446 6.655 1.00 0.00 N ATOM 1053 CZ ARG A 126 10.764 15.493 7.336 1.00 0.00 C ATOM 1054 NH1 ARG A 126 9.604 15.405 6.699 1.00 0.00 N ATOM 1055 NH2 ARG A 126 10.782 15.635 8.655 1.00 0.00 N ATOM 0 H ARG A 126 14.741 11.604 5.506 1.00 0.00 H new ATOM 0 HA ARG A 126 15.631 14.016 4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.648 13.711 6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.763 15.059 6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.821 16.167 4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 126 13.426 14.692 3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.475 16.088 4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.438 14.350 4.934 1.00 0.00 H new ATOM 0 HE ARG A 126 12.778 15.547 7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.586 15.301 5.684 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.730 15.441 7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.672 15.708 9.148 1.00 0.00 H new ATOM 0 HH22 ARG A 126 9.906 15.671 9.176 1.00 0.00 H new ATOM 1069 N LYS A 127 17.374 14.517 5.915 1.00 0.00 N ATOM 1070 CA LYS A 127 18.584 14.542 6.730 1.00 0.00 C ATOM 1071 C LYS A 127 18.460 15.550 7.865 1.00 0.00 C ATOM 1072 O LYS A 127 18.727 16.738 7.687 1.00 0.00 O ATOM 1073 CB LYS A 127 19.805 14.877 5.870 1.00 0.00 C ATOM 1074 CG LYS A 127 19.983 13.947 4.682 1.00 0.00 C ATOM 1075 CD LYS A 127 19.620 14.633 3.373 1.00 0.00 C ATOM 1076 CE LYS A 127 20.824 15.317 2.747 1.00 0.00 C ATOM 1077 NZ LYS A 127 21.921 14.353 2.454 1.00 0.00 N ATOM 0 H LYS A 127 17.188 15.381 5.406 1.00 0.00 H new ATOM 0 HA LYS A 127 18.714 13.549 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 127 19.715 15.902 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 127 20.700 14.835 6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.017 13.605 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 127 19.360 13.063 4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 127 19.215 13.898 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 127 18.836 15.368 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 127 20.521 15.813 1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 127 21.192 16.092 3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 22.463 14.683 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 22.552 14.284 3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 21.516 13.417 2.249 1.00 0.00 H new ATOM 1091 N ARG A 128 18.051 15.070 9.033 1.00 0.00 N ATOM 1092 CA ARG A 128 17.900 15.930 10.198 1.00 0.00 C ATOM 1093 C ARG A 128 16.826 16.987 9.971 1.00 0.00 C ATOM 1094 O ARG A 128 16.263 17.093 8.882 1.00 0.00 O ATOM 1095 CB ARG A 128 19.234 16.597 10.536 1.00 0.00 C ATOM 1096 CG ARG A 128 20.071 15.807 11.526 1.00 0.00 C ATOM 1097 CD ARG A 128 19.491 15.898 12.928 1.00 0.00 C ATOM 1098 NE ARG A 128 19.949 14.811 13.787 1.00 0.00 N ATOM 1099 CZ ARG A 128 19.418 13.593 13.773 1.00 0.00 C ATOM 1100 NH1 ARG A 128 18.446 13.300 12.924 1.00 0.00 N ATOM 1101 NH2 ARG A 128 19.863 12.664 14.606 1.00 0.00 N ATOM 0 H ARG A 128 17.818 14.091 9.198 1.00 0.00 H new ATOM 0 HA ARG A 128 17.587 15.309 11.037 1.00 0.00 H new ATOM 0 HB2 ARG A 128 19.805 16.735 9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 128 19.042 17.589 10.945 1.00 0.00 H new ATOM 0 HG2 ARG A 128 20.118 14.763 11.216 1.00 0.00 H new ATOM 0 HG3 ARG A 128 21.093 16.186 11.527 1.00 0.00 H new ATOM 0 HD2 ARG A 128 19.770 16.853 13.373 1.00 0.00 H new ATOM 0 HD3 ARG A 128 18.403 15.879 12.871 1.00 0.00 H new ATOM 0 HE ARG A 128 20.717 14.996 14.432 1.00 0.00 H new ATOM 0 HH11 ARG A 128 18.102 14.010 12.278 1.00 0.00 H new ATOM 0 HH12 ARG A 128 18.041 12.364 12.916 1.00 0.00 H new ATOM 0 HH21 ARG A 128 20.615 12.883 15.260 1.00 0.00 H new ATOM 0 HH22 ARG A 128 19.454 11.730 14.594 1.00 0.00 H new ATOM 1115 N LYS A 129 16.546 17.762 11.011 1.00 0.00 N ATOM 1116 CA LYS A 129 15.541 18.812 10.931 1.00 0.00 C ATOM 1117 C LYS A 129 15.597 19.712 12.160 1.00 0.00 C ATOM 1118 O LYS A 129 16.010 20.869 12.074 1.00 0.00 O ATOM 1119 CB LYS A 129 14.147 18.200 10.791 1.00 0.00 C ATOM 1120 CG LYS A 129 13.026 19.224 10.837 1.00 0.00 C ATOM 1121 CD LYS A 129 11.704 18.619 10.400 1.00 0.00 C ATOM 1122 CE LYS A 129 10.547 19.577 10.634 1.00 0.00 C ATOM 1123 NZ LYS A 129 10.448 19.987 12.062 1.00 0.00 N ATOM 0 H LYS A 129 17.002 17.682 11.920 1.00 0.00 H new ATOM 0 HA LYS A 129 15.752 19.419 10.051 1.00 0.00 H new ATOM 0 HB2 LYS A 129 14.092 17.655 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 129 13.997 17.473 11.589 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.931 19.616 11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.274 20.066 10.191 1.00 0.00 H new ATOM 0 HD2 LYS A 129 11.754 18.359 9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 129 11.528 17.693 10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 129 10.676 20.461 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.615 19.103 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.486 20.331 12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 10.656 19.171 12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 11.133 20.746 12.253 1.00 0.00 H new ATOM 1137 N GLY A 130 15.183 19.174 13.301 1.00 0.00 N ATOM 1138 CA GLY A 130 15.196 19.944 14.529 1.00 0.00 C ATOM 1139 C GLY A 130 15.035 19.071 15.758 1.00 0.00 C ATOM 1140 O GLY A 130 14.097 18.281 15.848 1.00 0.00 O ATOM 0 H GLY A 130 14.839 18.219 13.397 1.00 0.00 H new ATOM 0 HA2 GLY A 130 16.133 20.496 14.599 1.00 0.00 H new ATOM 0 HA3 GLY A 130 14.393 20.681 14.502 1.00 0.00 H new ATOM 1144 N SER A 131 15.955 19.215 16.705 1.00 0.00 N ATOM 1145 CA SER A 131 15.910 18.435 17.937 1.00 0.00 C ATOM 1146 C SER A 131 16.370 19.272 19.125 1.00 0.00 C ATOM 1147 O SER A 131 17.566 19.195 19.476 1.00 0.00 O ATOM 1148 CB SER A 131 16.778 17.182 17.803 1.00 0.00 C ATOM 1149 OG SER A 131 18.016 17.479 17.181 1.00 0.00 O ATOM 1150 OXT SER A 131 15.529 20.000 19.695 1.00 0.00 O ATOM 0 H SER A 131 16.740 19.863 16.644 1.00 0.00 H new ATOM 0 HA SER A 131 14.878 18.131 18.112 1.00 0.00 H new ATOM 0 HB2 SER A 131 16.957 16.754 18.789 1.00 0.00 H new ATOM 0 HB3 SER A 131 16.247 16.429 17.220 1.00 0.00 H new ATOM 0 HG SER A 131 18.458 18.209 17.664 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.322 -5.463 1.880 1.00 0.00 ZN