USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 684 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 69 MET CE :methyl 149:sc= -2.66! (180deg=-5.26!) USER MOD Set 1.2: A 72 GLN : amide:sc= -4.98! C(o=-7.6!,f=-14!) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 62 LYS NZ :NH3+ -127:sc= -3.3! (180deg=-7.34!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.107 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 38:sc= 1.15 USER MOD Single : A 5 SER OG : rot 180:sc= 0 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 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -5.3! C(o=-5.3!,f=-13!) USER MOD Single : A 17 GLN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 103:sc= -2.08! USER MOD Single : A 30 SER OG : rot 54:sc= 0.159 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -119:sc= -0.58 (180deg=-1.66) USER MOD Single : A 43 GLN :FLIP amide:sc= -2.39! C(o=-3.5!,f=-2.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.75) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= 0.111 F(o=-2.7!,f=0.11) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0649) USER MOD Single : A 63 LYS NZ :NH3+ -127:sc= -1.68 (180deg=-5.19!) USER MOD Single : A 64 ASN : amide:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0933) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.002) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 53:sc= 0.182 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0684 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.824 -5.860 -12.396 1.00 0.00 N ATOM 2 CA GLY A 1 -14.265 -6.139 -11.084 1.00 0.00 C ATOM 3 C GLY A 1 -12.735 -6.150 -11.131 1.00 0.00 C ATOM 4 O GLY A 1 -12.137 -5.672 -12.093 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.529 -5.099 -12.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.064 -5.563 -13.041 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.279 -6.717 -12.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.605 -5.387 -10.372 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.628 -7.103 -10.727 1.00 0.00 H new ATOM 8 N SER A 2 -12.147 -6.700 -10.079 1.00 0.00 N ATOM 9 CA SER A 2 -10.699 -6.779 -9.988 1.00 0.00 C ATOM 10 C SER A 2 -10.243 -8.231 -10.144 1.00 0.00 C ATOM 11 O SER A 2 -10.529 -9.070 -9.292 1.00 0.00 O ATOM 12 CB SER A 2 -10.198 -6.206 -8.661 1.00 0.00 C ATOM 13 OG SER A 2 -8.784 -6.319 -8.530 1.00 0.00 O ATOM 0 H SER A 2 -12.647 -7.095 -9.282 1.00 0.00 H new ATOM 0 HA SER A 2 -10.273 -6.182 -10.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.486 -5.157 -8.587 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.681 -6.728 -7.835 1.00 0.00 H new ATOM 0 HG SER A 2 -8.504 -5.941 -7.671 1.00 0.00 H new ATOM 19 N SER A 3 -9.542 -8.483 -11.240 1.00 0.00 N ATOM 20 CA SER A 3 -9.044 -9.819 -11.519 1.00 0.00 C ATOM 21 C SER A 3 -8.160 -9.799 -12.768 1.00 0.00 C ATOM 22 O SER A 3 -8.648 -9.989 -13.881 1.00 0.00 O ATOM 23 CB SER A 3 -10.196 -10.810 -11.701 1.00 0.00 C ATOM 24 OG SER A 3 -10.983 -10.509 -12.850 1.00 0.00 O ATOM 0 H SER A 3 -9.307 -7.784 -11.945 1.00 0.00 H new ATOM 0 HA SER A 3 -8.450 -10.146 -10.666 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.795 -11.820 -11.791 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.829 -10.796 -10.814 1.00 0.00 H new ATOM 0 HG SER A 3 -10.400 -10.195 -13.573 1.00 0.00 H new ATOM 30 N GLY A 4 -6.876 -9.565 -12.541 1.00 0.00 N ATOM 31 CA GLY A 4 -5.920 -9.517 -13.634 1.00 0.00 C ATOM 32 C GLY A 4 -4.658 -10.314 -13.294 1.00 0.00 C ATOM 33 O GLY A 4 -4.098 -10.163 -12.209 1.00 0.00 O ATOM 0 H GLY A 4 -6.475 -9.407 -11.616 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.376 -9.919 -14.539 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.655 -8.481 -13.845 1.00 0.00 H new ATOM 37 N SER A 5 -4.248 -11.144 -14.242 1.00 0.00 N ATOM 38 CA SER A 5 -3.063 -11.964 -14.057 1.00 0.00 C ATOM 39 C SER A 5 -1.862 -11.079 -13.716 1.00 0.00 C ATOM 40 O SER A 5 -1.787 -9.933 -14.155 1.00 0.00 O ATOM 41 CB SER A 5 -2.771 -12.799 -15.305 1.00 0.00 C ATOM 42 OG SER A 5 -3.371 -14.089 -15.237 1.00 0.00 O ATOM 0 H SER A 5 -4.715 -11.266 -15.140 1.00 0.00 H new ATOM 0 HA SER A 5 -3.247 -12.649 -13.230 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.139 -12.274 -16.187 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.693 -12.907 -15.425 1.00 0.00 H new ATOM 0 HG SER A 5 -3.163 -14.590 -16.053 1.00 0.00 H new ATOM 48 N SER A 6 -0.953 -11.646 -12.937 1.00 0.00 N ATOM 49 CA SER A 6 0.241 -10.923 -12.532 1.00 0.00 C ATOM 50 C SER A 6 -0.123 -9.490 -12.137 1.00 0.00 C ATOM 51 O SER A 6 -0.098 -8.587 -12.971 1.00 0.00 O ATOM 52 CB SER A 6 1.286 -10.915 -13.650 1.00 0.00 C ATOM 53 OG SER A 6 2.545 -11.415 -13.208 1.00 0.00 O ATOM 0 H SER A 6 -1.019 -12.597 -12.575 1.00 0.00 H new ATOM 0 HA SER A 6 0.673 -11.432 -11.671 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.929 -11.519 -14.484 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.410 -9.898 -14.023 1.00 0.00 H new ATOM 0 HG SER A 6 3.184 -11.395 -13.951 1.00 0.00 H new ATOM 59 N GLY A 7 -0.454 -9.328 -10.864 1.00 0.00 N ATOM 60 CA GLY A 7 -0.823 -8.021 -10.348 1.00 0.00 C ATOM 61 C GLY A 7 -0.067 -7.708 -9.055 1.00 0.00 C ATOM 62 O GLY A 7 0.414 -8.615 -8.378 1.00 0.00 O ATOM 0 H GLY A 7 -0.474 -10.080 -10.175 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.606 -7.257 -11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.897 -7.989 -10.162 1.00 0.00 H new ATOM 66 N PRO A 8 0.018 -6.387 -8.744 1.00 0.00 N ATOM 67 CA PRO A 8 0.708 -5.943 -7.545 1.00 0.00 C ATOM 68 C PRO A 8 -0.131 -6.219 -6.296 1.00 0.00 C ATOM 69 O PRO A 8 0.412 -6.506 -5.230 1.00 0.00 O ATOM 70 CB PRO A 8 0.973 -4.463 -7.768 1.00 0.00 C ATOM 71 CG PRO A 8 0.018 -4.030 -8.869 1.00 0.00 C ATOM 72 CD PRO A 8 -0.538 -5.285 -9.523 1.00 0.00 C ATOM 0 HA PRO A 8 1.641 -6.479 -7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.800 -3.893 -6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.009 -4.291 -8.060 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.789 -3.424 -8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.536 -3.414 -9.604 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.628 -5.294 -9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.241 -5.351 -10.570 1.00 0.00 H new ATOM 80 N ILE A 9 -1.441 -6.121 -6.469 1.00 0.00 N ATOM 81 CA ILE A 9 -2.360 -6.356 -5.368 1.00 0.00 C ATOM 82 C ILE A 9 -2.326 -7.838 -4.988 1.00 0.00 C ATOM 83 O ILE A 9 -1.771 -8.204 -3.953 1.00 0.00 O ATOM 84 CB ILE A 9 -3.759 -5.844 -5.720 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.700 -4.413 -6.256 1.00 0.00 C ATOM 86 CG2 ILE A 9 -4.705 -5.970 -4.525 1.00 0.00 C ATOM 87 CD1 ILE A 9 -5.092 -3.916 -6.650 1.00 0.00 C ATOM 0 H ILE A 9 -1.888 -5.882 -7.354 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.051 -5.793 -4.487 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.162 -6.470 -6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.276 -3.754 -5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.037 -4.372 -7.120 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.692 -5.599 -4.802 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.780 -7.016 -4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.318 -5.384 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.021 -2.896 -7.028 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.503 -4.562 -7.426 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.745 -3.935 -5.778 1.00 0.00 H new ATOM 99 N SER A 10 -2.926 -8.650 -5.846 1.00 0.00 N ATOM 100 CA SER A 10 -2.970 -10.084 -5.613 1.00 0.00 C ATOM 101 C SER A 10 -1.628 -10.566 -5.061 1.00 0.00 C ATOM 102 O SER A 10 -1.587 -11.330 -4.097 1.00 0.00 O ATOM 103 CB SER A 10 -3.318 -10.840 -6.897 1.00 0.00 C ATOM 104 OG SER A 10 -4.565 -11.522 -6.793 1.00 0.00 O ATOM 0 H SER A 10 -3.386 -8.343 -6.703 1.00 0.00 H new ATOM 0 HA SER A 10 -3.751 -10.287 -4.880 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.356 -10.140 -7.731 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.529 -11.558 -7.120 1.00 0.00 H new ATOM 0 HG SER A 10 -4.752 -11.991 -7.633 1.00 0.00 H new ATOM 110 N ARG A 11 -0.561 -10.101 -5.695 1.00 0.00 N ATOM 111 CA ARG A 11 0.779 -10.476 -5.279 1.00 0.00 C ATOM 112 C ARG A 11 1.008 -10.091 -3.816 1.00 0.00 C ATOM 113 O ARG A 11 1.558 -10.875 -3.043 1.00 0.00 O ATOM 114 CB ARG A 11 1.837 -9.794 -6.149 1.00 0.00 C ATOM 115 CG ARG A 11 3.242 -10.280 -5.787 1.00 0.00 C ATOM 116 CD ARG A 11 4.169 -10.230 -7.003 1.00 0.00 C ATOM 117 NE ARG A 11 5.553 -9.928 -6.572 1.00 0.00 N ATOM 118 CZ ARG A 11 6.626 -10.026 -7.368 1.00 0.00 C ATOM 119 NH1 ARG A 11 6.483 -10.420 -8.641 1.00 0.00 N ATOM 120 NH2 ARG A 11 7.843 -9.731 -6.891 1.00 0.00 N ATOM 0 H ARG A 11 -0.598 -9.468 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 11 0.871 -11.556 -5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.637 -10.001 -7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.778 -8.713 -6.020 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.650 -9.661 -4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.191 -11.300 -5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.143 -11.184 -7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.823 -9.470 -7.703 1.00 0.00 H new ATOM 0 HE ARG A 11 5.699 -9.626 -5.609 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.557 -10.645 -9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.300 -10.494 -9.247 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.952 -9.432 -5.922 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.660 -9.806 -7.497 1.00 0.00 H new ATOM 134 N LEU A 12 0.574 -8.886 -3.479 1.00 0.00 N ATOM 135 CA LEU A 12 0.724 -8.388 -2.122 1.00 0.00 C ATOM 136 C LEU A 12 -0.212 -9.163 -1.193 1.00 0.00 C ATOM 137 O LEU A 12 0.208 -9.637 -0.138 1.00 0.00 O ATOM 138 CB LEU A 12 0.515 -6.873 -2.081 1.00 0.00 C ATOM 139 CG LEU A 12 1.304 -6.116 -1.010 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.671 -4.753 -0.725 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.451 -6.957 0.259 1.00 0.00 C ATOM 0 H LEU A 12 0.118 -8.239 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 12 1.740 -8.556 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.779 -6.463 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.546 -6.676 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 12 2.308 -5.931 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.251 -4.235 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.662 -4.158 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.351 -4.893 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.015 -6.396 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.463 -7.194 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.979 -7.881 0.024 1.00 0.00 H new ATOM 153 N ALA A 13 -1.462 -9.268 -1.618 1.00 0.00 N ATOM 154 CA ALA A 13 -2.461 -9.977 -0.837 1.00 0.00 C ATOM 155 C ALA A 13 -1.964 -11.395 -0.548 1.00 0.00 C ATOM 156 O ALA A 13 -2.041 -11.865 0.587 1.00 0.00 O ATOM 157 CB ALA A 13 -3.796 -9.969 -1.585 1.00 0.00 C ATOM 0 H ALA A 13 -1.806 -8.874 -2.494 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.621 -9.481 0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.545 -10.501 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.120 -8.940 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.675 -10.460 -2.550 1.00 0.00 H new ATOM 163 N GLN A 14 -1.465 -12.038 -1.593 1.00 0.00 N ATOM 164 CA GLN A 14 -0.955 -13.392 -1.466 1.00 0.00 C ATOM 165 C GLN A 14 0.175 -13.439 -0.436 1.00 0.00 C ATOM 166 O GLN A 14 0.386 -14.463 0.213 1.00 0.00 O ATOM 167 CB GLN A 14 -0.487 -13.931 -2.819 1.00 0.00 C ATOM 168 CG GLN A 14 -1.674 -14.409 -3.659 1.00 0.00 C ATOM 169 CD GLN A 14 -1.306 -15.652 -4.471 1.00 0.00 C ATOM 170 OE1 GLN A 14 -1.728 -16.760 -4.184 1.00 0.00 O ATOM 171 NE2 GLN A 14 -0.497 -15.408 -5.499 1.00 0.00 N ATOM 0 H GLN A 14 -1.403 -11.646 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.765 -14.033 -1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.054 -13.153 -3.357 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.210 -14.755 -2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.519 -14.633 -3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.993 -13.612 -4.331 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.180 -14.456 -5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.194 -16.173 -6.102 1.00 0.00 H new ATOM 180 N ILE A 15 0.873 -12.319 -0.319 1.00 0.00 N ATOM 181 CA ILE A 15 1.977 -12.220 0.621 1.00 0.00 C ATOM 182 C ILE A 15 1.422 -12.036 2.035 1.00 0.00 C ATOM 183 O ILE A 15 1.973 -12.571 2.996 1.00 0.00 O ATOM 184 CB ILE A 15 2.947 -11.117 0.193 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.638 -11.475 -1.125 1.00 0.00 C ATOM 186 CG2 ILE A 15 3.954 -10.811 1.304 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.153 -10.220 -1.833 1.00 0.00 C ATOM 0 H ILE A 15 0.696 -11.472 -0.859 1.00 0.00 H new ATOM 0 HA ILE A 15 2.559 -13.142 0.624 1.00 0.00 H new ATOM 0 HB ILE A 15 2.374 -10.207 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.468 -12.154 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.939 -12.002 -1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.632 -10.024 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.422 -10.481 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.526 -11.710 1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.640 -10.503 -2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.317 -9.554 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.870 -9.708 -1.191 1.00 0.00 H new ATOM 199 N GLN A 16 0.338 -11.279 2.117 1.00 0.00 N ATOM 200 CA GLN A 16 -0.297 -11.018 3.398 1.00 0.00 C ATOM 201 C GLN A 16 -0.910 -12.303 3.957 1.00 0.00 C ATOM 202 O GLN A 16 -0.900 -12.525 5.167 1.00 0.00 O ATOM 203 CB GLN A 16 -1.352 -9.917 3.273 1.00 0.00 C ATOM 204 CG GLN A 16 -0.723 -8.608 2.788 1.00 0.00 C ATOM 205 CD GLN A 16 0.583 -8.319 3.531 1.00 0.00 C ATOM 206 OE1 GLN A 16 1.581 -7.923 2.953 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.520 -8.539 4.841 1.00 0.00 N ATOM 0 H GLN A 16 -0.117 -10.838 1.318 1.00 0.00 H new ATOM 0 HA GLN A 16 0.465 -10.668 4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.130 -10.231 2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.833 -9.758 4.238 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.531 -8.668 1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.422 -7.786 2.941 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.348 -8.871 5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.340 -8.376 5.426 1.00 0.00 H new ATOM 216 N GLN A 17 -1.430 -13.117 3.050 1.00 0.00 N ATOM 217 CA GLN A 17 -2.046 -14.374 3.438 1.00 0.00 C ATOM 218 C GLN A 17 -0.977 -15.451 3.635 1.00 0.00 C ATOM 219 O GLN A 17 -1.010 -16.190 4.618 1.00 0.00 O ATOM 220 CB GLN A 17 -3.086 -14.816 2.406 1.00 0.00 C ATOM 221 CG GLN A 17 -2.431 -15.608 1.273 1.00 0.00 C ATOM 222 CD GLN A 17 -3.474 -16.068 0.252 1.00 0.00 C ATOM 223 OE1 GLN A 17 -3.561 -17.232 -0.104 1.00 0.00 O ATOM 224 NE2 GLN A 17 -4.258 -15.093 -0.198 1.00 0.00 N ATOM 0 H GLN A 17 -1.437 -12.930 2.047 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.563 -14.225 4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.847 -15.428 2.890 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.593 -13.942 1.998 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.681 -14.990 0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.911 -16.474 1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.132 -14.139 0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.986 -15.299 -0.883 1.00 0.00 H new ATOM 233 N ALA A 18 -0.055 -15.505 2.685 1.00 0.00 N ATOM 234 CA ALA A 18 1.022 -16.479 2.742 1.00 0.00 C ATOM 235 C ALA A 18 1.849 -16.245 4.008 1.00 0.00 C ATOM 236 O ALA A 18 2.392 -17.187 4.582 1.00 0.00 O ATOM 237 CB ALA A 18 1.864 -16.384 1.469 1.00 0.00 C ATOM 0 H ALA A 18 -0.031 -14.890 1.871 1.00 0.00 H new ATOM 0 HA ALA A 18 0.622 -17.492 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.672 -17.115 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.236 -16.588 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.285 -15.382 1.385 1.00 0.00 H new ATOM 243 N ARG A 19 1.919 -14.983 4.405 1.00 0.00 N ATOM 244 CA ARG A 19 2.671 -14.613 5.592 1.00 0.00 C ATOM 245 C ARG A 19 1.866 -14.936 6.853 1.00 0.00 C ATOM 246 O ARG A 19 2.415 -14.964 7.953 1.00 0.00 O ATOM 247 CB ARG A 19 3.016 -13.122 5.583 1.00 0.00 C ATOM 248 CG ARG A 19 4.266 -12.853 4.745 1.00 0.00 C ATOM 249 CD ARG A 19 4.618 -11.364 4.747 1.00 0.00 C ATOM 250 NE ARG A 19 6.070 -11.187 4.978 1.00 0.00 N ATOM 251 CZ ARG A 19 6.662 -11.323 6.172 1.00 0.00 C ATOM 252 NH1 ARG A 19 5.931 -11.638 7.251 1.00 0.00 N ATOM 253 NH2 ARG A 19 7.985 -11.144 6.288 1.00 0.00 N ATOM 0 H ARG A 19 1.467 -14.204 3.926 1.00 0.00 H new ATOM 0 HA ARG A 19 3.597 -15.188 5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.177 -12.553 5.183 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.177 -12.776 6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.103 -13.429 5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.101 -13.190 3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.335 -10.914 3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.052 -10.849 5.524 1.00 0.00 H new ATOM 0 HE ARG A 19 6.656 -10.947 4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.924 -11.774 7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.382 -11.742 8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.541 -10.904 5.467 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.436 -11.247 7.197 1.00 0.00 H new ATOM 267 N LYS A 20 0.578 -15.171 6.650 1.00 0.00 N ATOM 268 CA LYS A 20 -0.307 -15.491 7.756 1.00 0.00 C ATOM 269 C LYS A 20 -0.376 -14.297 8.710 1.00 0.00 C ATOM 270 O LYS A 20 -0.579 -14.469 9.911 1.00 0.00 O ATOM 271 CB LYS A 20 0.127 -16.793 8.431 1.00 0.00 C ATOM 272 CG LYS A 20 -0.188 -18.001 7.546 1.00 0.00 C ATOM 273 CD LYS A 20 -1.019 -19.036 8.307 1.00 0.00 C ATOM 274 CE LYS A 20 -0.959 -20.401 7.619 1.00 0.00 C ATOM 275 NZ LYS A 20 -0.845 -21.483 8.622 1.00 0.00 N ATOM 0 H LYS A 20 0.126 -15.146 5.736 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.319 -15.670 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.196 -16.760 8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.382 -16.897 9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.731 -17.675 6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.741 -18.456 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.650 -19.123 9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.055 -18.701 8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.854 -20.550 7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.107 -20.435 6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.805 -22.403 8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.022 -21.348 9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.671 -21.460 9.253 1.00 0.00 H new ATOM 289 N GLU A 21 -0.204 -13.114 8.140 1.00 0.00 N ATOM 290 CA GLU A 21 -0.244 -11.892 8.925 1.00 0.00 C ATOM 291 C GLU A 21 -1.640 -11.268 8.865 1.00 0.00 C ATOM 292 O GLU A 21 -2.376 -11.290 9.850 1.00 0.00 O ATOM 293 CB GLU A 21 0.821 -10.900 8.451 1.00 0.00 C ATOM 294 CG GLU A 21 2.228 -11.450 8.693 1.00 0.00 C ATOM 295 CD GLU A 21 2.601 -11.371 10.174 1.00 0.00 C ATOM 296 OE1 GLU A 21 1.942 -12.082 10.964 1.00 0.00 O ATOM 297 OE2 GLU A 21 3.536 -10.602 10.484 1.00 0.00 O ATOM 0 H GLU A 21 -0.037 -12.975 7.143 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.024 -12.143 9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.685 -10.694 7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.701 -9.953 8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.280 -12.485 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.949 -10.886 8.102 1.00 0.00 H new ATOM 304 N LYS A 22 -1.961 -10.726 7.699 1.00 0.00 N ATOM 305 CA LYS A 22 -3.255 -10.097 7.498 1.00 0.00 C ATOM 306 C LYS A 22 -3.222 -9.272 6.210 1.00 0.00 C ATOM 307 O LYS A 22 -2.291 -8.499 5.987 1.00 0.00 O ATOM 308 CB LYS A 22 -3.657 -9.290 8.735 1.00 0.00 C ATOM 309 CG LYS A 22 -4.668 -8.200 8.373 1.00 0.00 C ATOM 310 CD LYS A 22 -5.757 -8.086 9.442 1.00 0.00 C ATOM 311 CE LYS A 22 -6.899 -7.186 8.966 1.00 0.00 C ATOM 312 NZ LYS A 22 -7.851 -7.953 8.133 1.00 0.00 N ATOM 0 H LYS A 22 -1.347 -10.710 6.884 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.030 -10.853 7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.087 -9.955 9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.772 -8.837 9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.155 -7.244 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.122 -8.426 7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.144 -9.077 9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.330 -7.683 10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.418 -6.762 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.497 -6.351 8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.620 -7.327 7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.355 -8.337 7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.248 -8.735 8.691 1.00 0.00 H new ATOM 326 N GLU A 23 -4.249 -9.464 5.395 1.00 0.00 N ATOM 327 CA GLU A 23 -4.349 -8.747 4.135 1.00 0.00 C ATOM 328 C GLU A 23 -3.895 -7.297 4.312 1.00 0.00 C ATOM 329 O GLU A 23 -3.858 -6.786 5.431 1.00 0.00 O ATOM 330 CB GLU A 23 -5.772 -8.813 3.579 1.00 0.00 C ATOM 331 CG GLU A 23 -5.856 -9.785 2.401 1.00 0.00 C ATOM 332 CD GLU A 23 -7.263 -10.375 2.276 1.00 0.00 C ATOM 333 OE1 GLU A 23 -8.219 -9.571 2.299 1.00 0.00 O ATOM 334 OE2 GLU A 23 -7.349 -11.617 2.160 1.00 0.00 O ATOM 0 H GLU A 23 -5.019 -10.106 5.583 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.689 -9.227 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.459 -9.128 4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.088 -7.820 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.591 -9.268 1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.132 -10.588 2.535 1.00 0.00 H new ATOM 341 N PRO A 24 -3.552 -6.657 3.162 1.00 0.00 N ATOM 342 CA PRO A 24 -3.103 -5.276 3.179 1.00 0.00 C ATOM 343 C PRO A 24 -4.277 -4.320 3.401 1.00 0.00 C ATOM 344 O PRO A 24 -5.408 -4.622 3.023 1.00 0.00 O ATOM 345 CB PRO A 24 -2.414 -5.069 1.840 1.00 0.00 C ATOM 346 CG PRO A 24 -2.908 -6.191 0.940 1.00 0.00 C ATOM 347 CD PRO A 24 -3.584 -7.231 1.819 1.00 0.00 C ATOM 0 HA PRO A 24 -2.418 -5.067 4.001 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.661 -4.094 1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.330 -5.104 1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.607 -5.805 0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.077 -6.636 0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.607 -7.421 1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.056 -8.184 1.783 1.00 0.00 H new ATOM 355 N ASP A 25 -3.968 -3.187 4.014 1.00 0.00 N ATOM 356 CA ASP A 25 -4.983 -2.185 4.291 1.00 0.00 C ATOM 357 C ASP A 25 -4.752 -0.969 3.391 1.00 0.00 C ATOM 358 O ASP A 25 -3.832 -0.186 3.623 1.00 0.00 O ATOM 359 CB ASP A 25 -4.911 -1.716 5.746 1.00 0.00 C ATOM 360 CG ASP A 25 -6.054 -2.203 6.639 1.00 0.00 C ATOM 361 OD1 ASP A 25 -6.848 -3.033 6.143 1.00 0.00 O ATOM 362 OD2 ASP A 25 -6.109 -1.736 7.797 1.00 0.00 O ATOM 0 H ASP A 25 -3.029 -2.941 4.327 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.959 -2.633 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.967 -2.052 6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.897 -0.626 5.761 1.00 0.00 H new ATOM 367 N TYR A 26 -5.604 -0.849 2.383 1.00 0.00 N ATOM 368 CA TYR A 26 -5.505 0.258 1.448 1.00 0.00 C ATOM 369 C TYR A 26 -6.305 1.466 1.941 1.00 0.00 C ATOM 370 O TYR A 26 -7.433 1.319 2.408 1.00 0.00 O ATOM 371 CB TYR A 26 -6.115 -0.242 0.137 1.00 0.00 C ATOM 372 CG TYR A 26 -5.212 -1.197 -0.645 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.261 -0.695 -1.510 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.349 -2.561 -0.487 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.411 -1.594 -2.246 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.499 -3.461 -1.223 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.572 -2.933 -2.067 1.00 0.00 C ATOM 378 OH TYR A 26 -2.769 -3.782 -2.762 1.00 0.00 O ATOM 0 H TYR A 26 -6.366 -1.500 2.194 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.468 0.572 1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.057 -0.746 0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.351 0.616 -0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.154 0.372 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.094 -2.954 0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.662 -1.214 -2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.595 -4.530 -1.107 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.070 -4.130 -2.169 1.00 0.00 H new ATOM 388 N ILE A 27 -5.688 2.633 1.820 1.00 0.00 N ATOM 389 CA ILE A 27 -6.328 3.865 2.247 1.00 0.00 C ATOM 390 C ILE A 27 -6.118 4.941 1.180 1.00 0.00 C ATOM 391 O ILE A 27 -4.992 5.174 0.742 1.00 0.00 O ATOM 392 CB ILE A 27 -5.833 4.272 3.637 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.693 3.051 4.548 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.738 5.343 4.249 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.244 2.562 4.590 1.00 0.00 C ATOM 0 H ILE A 27 -4.752 2.751 1.432 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.404 3.720 2.346 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.841 4.711 3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.025 3.304 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.341 2.250 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.364 5.614 5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.743 6.225 3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.752 4.954 4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.172 1.693 5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.924 2.287 3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.603 3.357 4.970 1.00 0.00 H new ATOM 407 N LEU A 28 -7.218 5.568 0.792 1.00 0.00 N ATOM 408 CA LEU A 28 -7.169 6.614 -0.215 1.00 0.00 C ATOM 409 C LEU A 28 -6.640 7.902 0.418 1.00 0.00 C ATOM 410 O LEU A 28 -7.310 8.508 1.253 1.00 0.00 O ATOM 411 CB LEU A 28 -8.533 6.775 -0.889 1.00 0.00 C ATOM 412 CG LEU A 28 -8.567 7.668 -2.130 1.00 0.00 C ATOM 413 CD1 LEU A 28 -8.224 9.116 -1.774 1.00 0.00 C ATOM 414 CD2 LEU A 28 -7.655 7.117 -3.228 1.00 0.00 C ATOM 0 H LEU A 28 -8.150 5.372 1.157 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.476 6.342 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.897 5.786 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.233 7.178 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.583 7.665 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.255 9.729 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.948 9.494 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.224 9.157 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.698 7.771 -4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.630 7.070 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.986 6.117 -3.508 1.00 0.00 H new ATOM 426 N LEU A 29 -5.442 8.283 -0.002 1.00 0.00 N ATOM 427 CA LEU A 29 -4.816 9.488 0.514 1.00 0.00 C ATOM 428 C LEU A 29 -5.635 10.707 0.085 1.00 0.00 C ATOM 429 O LEU A 29 -6.204 11.403 0.925 1.00 0.00 O ATOM 430 CB LEU A 29 -3.348 9.553 0.088 1.00 0.00 C ATOM 431 CG LEU A 29 -2.407 8.557 0.768 1.00 0.00 C ATOM 432 CD1 LEU A 29 -0.954 9.029 0.683 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.840 8.291 2.211 1.00 0.00 C ATOM 0 H LEU A 29 -4.889 7.778 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.808 9.476 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.296 9.394 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.979 10.560 0.280 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.469 7.609 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.306 8.303 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.663 9.126 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.856 9.995 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.154 7.580 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.826 9.225 2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.849 7.879 2.218 1.00 0.00 H new ATOM 445 N SER A 30 -5.670 10.927 -1.221 1.00 0.00 N ATOM 446 CA SER A 30 -6.411 12.050 -1.771 1.00 0.00 C ATOM 447 C SER A 30 -6.485 11.932 -3.295 1.00 0.00 C ATOM 448 O SER A 30 -6.147 10.891 -3.857 1.00 0.00 O ATOM 449 CB SER A 30 -5.769 13.381 -1.372 1.00 0.00 C ATOM 450 OG SER A 30 -6.527 14.061 -0.375 1.00 0.00 O ATOM 0 H SER A 30 -5.197 10.347 -1.914 1.00 0.00 H new ATOM 0 HA SER A 30 -7.421 12.027 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.760 13.200 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.675 14.017 -2.252 1.00 0.00 H new ATOM 0 HG SER A 30 -6.676 13.463 0.387 1.00 0.00 H new ATOM 456 N GLU A 31 -6.930 13.012 -3.919 1.00 0.00 N ATOM 457 CA GLU A 31 -7.053 13.043 -5.366 1.00 0.00 C ATOM 458 C GLU A 31 -6.747 14.446 -5.896 1.00 0.00 C ATOM 459 O GLU A 31 -7.140 15.441 -5.289 1.00 0.00 O ATOM 460 CB GLU A 31 -8.442 12.581 -5.808 1.00 0.00 C ATOM 461 CG GLU A 31 -8.921 11.397 -4.965 1.00 0.00 C ATOM 462 CD GLU A 31 -10.399 11.100 -5.225 1.00 0.00 C ATOM 463 OE1 GLU A 31 -10.798 11.200 -6.406 1.00 0.00 O ATOM 464 OE2 GLU A 31 -11.096 10.779 -4.239 1.00 0.00 O ATOM 0 H GLU A 31 -7.210 13.873 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.325 12.350 -5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.149 13.406 -5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.417 12.296 -6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.323 10.516 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.771 11.615 -3.908 1.00 0.00 H new ATOM 471 N ARG A 32 -6.049 14.480 -7.021 1.00 0.00 N ATOM 472 CA ARG A 32 -5.687 15.744 -7.639 1.00 0.00 C ATOM 473 C ARG A 32 -4.862 15.499 -8.904 1.00 0.00 C ATOM 474 O ARG A 32 -4.595 14.354 -9.263 1.00 0.00 O ATOM 475 CB ARG A 32 -4.881 16.617 -6.675 1.00 0.00 C ATOM 476 CG ARG A 32 -5.777 17.659 -6.001 1.00 0.00 C ATOM 477 CD ARG A 32 -5.765 17.490 -4.480 1.00 0.00 C ATOM 478 NE ARG A 32 -5.164 18.682 -3.842 1.00 0.00 N ATOM 479 CZ ARG A 32 -3.845 18.905 -3.760 1.00 0.00 C ATOM 480 NH1 ARG A 32 -2.982 18.018 -4.273 1.00 0.00 N ATOM 481 NH2 ARG A 32 -3.389 20.015 -3.163 1.00 0.00 N ATOM 0 H ARG A 32 -5.724 13.652 -7.521 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.610 16.263 -7.897 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.412 15.990 -5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.078 17.118 -7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.436 18.661 -6.262 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.797 17.562 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.782 17.345 -4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.199 16.599 -4.210 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.793 19.377 -3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.329 17.173 -4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.978 18.188 -4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.046 20.690 -2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.385 20.185 -3.101 1.00 0.00 H new ATOM 495 N GLY A 33 -4.483 16.595 -9.546 1.00 0.00 N ATOM 496 CA GLY A 33 -3.694 16.514 -10.764 1.00 0.00 C ATOM 497 C GLY A 33 -4.481 17.045 -11.963 1.00 0.00 C ATOM 498 O GLY A 33 -5.577 17.580 -11.803 1.00 0.00 O ATOM 0 H GLY A 33 -4.708 17.544 -9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.775 17.088 -10.645 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.403 15.479 -10.945 1.00 0.00 H new ATOM 502 N MET A 34 -3.892 16.879 -13.138 1.00 0.00 N ATOM 503 CA MET A 34 -4.524 17.336 -14.364 1.00 0.00 C ATOM 504 C MET A 34 -6.000 16.934 -14.402 1.00 0.00 C ATOM 505 O MET A 34 -6.406 15.984 -13.735 1.00 0.00 O ATOM 506 CB MET A 34 -3.799 16.731 -15.568 1.00 0.00 C ATOM 507 CG MET A 34 -2.376 17.282 -15.684 1.00 0.00 C ATOM 508 SD MET A 34 -2.298 18.501 -16.986 1.00 0.00 S ATOM 509 CE MET A 34 -1.883 17.451 -18.369 1.00 0.00 C ATOM 0 H MET A 34 -2.983 16.434 -13.267 1.00 0.00 H new ATOM 0 HA MET A 34 -4.462 18.424 -14.400 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.766 15.646 -15.470 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.354 16.952 -16.480 1.00 0.00 H new ATOM 0 HG2 MET A 34 -2.072 17.729 -14.737 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.679 16.470 -15.892 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.795 18.056 -19.271 1.00 0.00 H new ATOM 0 HE2 MET A 34 -0.935 16.950 -18.174 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.666 16.705 -18.507 1.00 0.00 H new ATOM 519 N PRO A 35 -6.783 17.699 -15.210 1.00 0.00 N ATOM 520 CA PRO A 35 -8.205 17.432 -15.343 1.00 0.00 C ATOM 521 C PRO A 35 -8.452 16.198 -16.213 1.00 0.00 C ATOM 522 O PRO A 35 -9.482 15.538 -16.082 1.00 0.00 O ATOM 523 CB PRO A 35 -8.789 18.704 -15.937 1.00 0.00 C ATOM 524 CG PRO A 35 -7.617 19.458 -16.543 1.00 0.00 C ATOM 525 CD PRO A 35 -6.337 18.832 -16.014 1.00 0.00 C ATOM 0 HA PRO A 35 -8.680 17.197 -14.391 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.538 18.473 -16.694 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.284 19.301 -15.171 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.648 19.402 -17.631 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.664 20.514 -16.277 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.688 18.509 -16.828 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.767 19.542 -15.415 1.00 0.00 H new ATOM 533 N ARG A 36 -7.491 15.923 -17.082 1.00 0.00 N ATOM 534 CA ARG A 36 -7.591 14.780 -17.973 1.00 0.00 C ATOM 535 C ARG A 36 -6.798 13.598 -17.412 1.00 0.00 C ATOM 536 O ARG A 36 -7.320 12.489 -17.308 1.00 0.00 O ATOM 537 CB ARG A 36 -7.065 15.122 -19.369 1.00 0.00 C ATOM 538 CG ARG A 36 -8.144 15.808 -20.209 1.00 0.00 C ATOM 539 CD ARG A 36 -8.168 15.250 -21.633 1.00 0.00 C ATOM 540 NE ARG A 36 -7.601 16.242 -22.574 1.00 0.00 N ATOM 541 CZ ARG A 36 -7.196 15.951 -23.818 1.00 0.00 C ATOM 542 NH1 ARG A 36 -7.293 14.696 -24.278 1.00 0.00 N ATOM 543 NH2 ARG A 36 -6.694 16.915 -24.602 1.00 0.00 N ATOM 0 H ARG A 36 -6.638 16.473 -17.188 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.644 14.511 -18.050 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.196 15.774 -19.284 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.733 14.212 -19.869 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.119 15.665 -19.742 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.959 16.882 -20.239 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.595 14.324 -21.679 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.191 15.007 -21.920 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.513 17.207 -22.256 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.675 13.962 -23.681 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.985 14.475 -25.225 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.620 17.870 -24.252 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.386 16.693 -25.549 1.00 0.00 H new ATOM 557 N ARG A 37 -5.550 13.876 -17.064 1.00 0.00 N ATOM 558 CA ARG A 37 -4.680 12.850 -16.516 1.00 0.00 C ATOM 559 C ARG A 37 -5.205 12.379 -15.158 1.00 0.00 C ATOM 560 O ARG A 37 -5.445 11.189 -14.960 1.00 0.00 O ATOM 561 CB ARG A 37 -3.251 13.371 -16.350 1.00 0.00 C ATOM 562 CG ARG A 37 -2.228 12.278 -16.668 1.00 0.00 C ATOM 563 CD ARG A 37 -0.801 12.823 -16.592 1.00 0.00 C ATOM 564 NE ARG A 37 0.008 12.282 -17.707 1.00 0.00 N ATOM 565 CZ ARG A 37 1.264 12.663 -17.977 1.00 0.00 C ATOM 566 NH1 ARG A 37 1.863 13.588 -17.215 1.00 0.00 N ATOM 567 NH2 ARG A 37 1.922 12.118 -19.010 1.00 0.00 N ATOM 0 H ARG A 37 -5.121 14.797 -17.151 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.671 12.014 -17.216 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.093 14.225 -17.009 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.105 13.725 -15.329 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.343 11.452 -15.966 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.416 11.878 -17.665 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.816 13.912 -16.638 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.349 12.550 -15.638 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.417 11.575 -18.307 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.363 14.003 -16.429 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.819 13.877 -17.421 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.467 11.414 -19.590 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.878 12.408 -19.216 1.00 0.00 H new ATOM 581 N ARG A 38 -5.367 13.337 -14.257 1.00 0.00 N ATOM 582 CA ARG A 38 -5.859 13.035 -12.924 1.00 0.00 C ATOM 583 C ARG A 38 -4.859 12.148 -12.177 1.00 0.00 C ATOM 584 O ARG A 38 -4.375 11.158 -12.722 1.00 0.00 O ATOM 585 CB ARG A 38 -7.213 12.325 -12.984 1.00 0.00 C ATOM 586 CG ARG A 38 -8.222 13.138 -13.798 1.00 0.00 C ATOM 587 CD ARG A 38 -9.083 14.014 -12.886 1.00 0.00 C ATOM 588 NE ARG A 38 -10.455 13.464 -12.803 1.00 0.00 N ATOM 589 CZ ARG A 38 -11.454 14.037 -12.120 1.00 0.00 C ATOM 590 NH1 ARG A 38 -11.242 15.181 -11.455 1.00 0.00 N ATOM 591 NH2 ARG A 38 -12.667 13.467 -12.101 1.00 0.00 N ATOM 0 H ARG A 38 -5.166 14.323 -14.424 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.980 13.980 -12.394 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.091 11.338 -13.430 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.593 12.173 -11.974 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.694 13.764 -14.517 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.860 12.464 -14.370 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.641 14.062 -11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.114 15.033 -13.271 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.652 12.594 -13.297 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.319 15.616 -11.469 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.003 15.617 -10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.829 12.596 -12.607 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.428 13.904 -11.581 1.00 0.00 H new ATOM 605 N GLU A 39 -4.580 12.537 -10.942 1.00 0.00 N ATOM 606 CA GLU A 39 -3.648 11.790 -10.115 1.00 0.00 C ATOM 607 C GLU A 39 -4.296 11.428 -8.777 1.00 0.00 C ATOM 608 O GLU A 39 -4.721 12.309 -8.031 1.00 0.00 O ATOM 609 CB GLU A 39 -2.353 12.576 -9.902 1.00 0.00 C ATOM 610 CG GLU A 39 -1.359 11.777 -9.057 1.00 0.00 C ATOM 611 CD GLU A 39 0.082 12.187 -9.371 1.00 0.00 C ATOM 612 OE1 GLU A 39 0.500 13.241 -8.845 1.00 0.00 O ATOM 613 OE2 GLU A 39 0.732 11.436 -10.130 1.00 0.00 O ATOM 0 H GLU A 39 -4.983 13.360 -10.494 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.393 10.866 -10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.906 12.815 -10.867 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.575 13.523 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.564 11.938 -7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.488 10.712 -9.248 1.00 0.00 H new ATOM 620 N PHE A 40 -4.351 10.130 -8.515 1.00 0.00 N ATOM 621 CA PHE A 40 -4.940 9.641 -7.280 1.00 0.00 C ATOM 622 C PHE A 40 -3.872 9.047 -6.360 1.00 0.00 C ATOM 623 O PHE A 40 -3.110 8.173 -6.771 1.00 0.00 O ATOM 624 CB PHE A 40 -5.934 8.543 -7.663 1.00 0.00 C ATOM 625 CG PHE A 40 -7.241 9.068 -8.262 1.00 0.00 C ATOM 626 CD1 PHE A 40 -7.240 9.648 -9.492 1.00 0.00 C ATOM 627 CD2 PHE A 40 -8.403 8.954 -7.565 1.00 0.00 C ATOM 628 CE1 PHE A 40 -8.452 10.135 -10.049 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.615 9.441 -8.121 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.614 10.021 -9.352 1.00 0.00 C ATOM 0 H PHE A 40 -3.998 9.403 -9.137 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.423 10.461 -6.749 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.461 7.873 -8.381 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.164 7.951 -6.778 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.317 9.738 -10.045 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.404 8.493 -6.588 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.451 10.596 -11.026 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.538 9.351 -7.567 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.536 10.391 -9.775 1.00 0.00 H new ATOM 640 N VAL A 41 -3.850 9.545 -5.133 1.00 0.00 N ATOM 641 CA VAL A 41 -2.887 9.075 -4.151 1.00 0.00 C ATOM 642 C VAL A 41 -3.500 7.922 -3.353 1.00 0.00 C ATOM 643 O VAL A 41 -4.561 8.076 -2.750 1.00 0.00 O ATOM 644 CB VAL A 41 -2.430 10.237 -3.267 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.282 9.810 -2.350 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.034 11.448 -4.115 1.00 0.00 C ATOM 0 H VAL A 41 -4.484 10.270 -4.796 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.995 8.690 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.270 10.530 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.976 10.655 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.613 8.993 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.438 9.478 -2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.713 12.260 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.216 11.174 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.890 11.774 -4.706 1.00 0.00 H new ATOM 656 N MET A 42 -2.807 6.794 -3.377 1.00 0.00 N ATOM 657 CA MET A 42 -3.270 5.616 -2.663 1.00 0.00 C ATOM 658 C MET A 42 -2.251 5.177 -1.610 1.00 0.00 C ATOM 659 O MET A 42 -1.046 5.331 -1.804 1.00 0.00 O ATOM 660 CB MET A 42 -3.501 4.475 -3.656 1.00 0.00 C ATOM 661 CG MET A 42 -4.949 3.984 -3.600 1.00 0.00 C ATOM 662 SD MET A 42 -5.215 3.037 -2.110 1.00 0.00 S ATOM 663 CE MET A 42 -6.953 2.668 -2.283 1.00 0.00 C ATOM 0 H MET A 42 -1.928 6.670 -3.880 1.00 0.00 H new ATOM 0 HA MET A 42 -4.203 5.865 -2.157 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.267 4.814 -4.665 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.825 3.650 -3.431 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.631 4.834 -3.627 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.168 3.371 -4.474 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.501 3.097 -1.445 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.324 3.093 -3.215 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.096 1.588 -2.295 1.00 0.00 H new ATOM 673 N GLN A 43 -2.772 4.639 -0.517 1.00 0.00 N ATOM 674 CA GLN A 43 -1.923 4.176 0.568 1.00 0.00 C ATOM 675 C GLN A 43 -2.166 2.690 0.836 1.00 0.00 C ATOM 676 O GLN A 43 -3.262 2.184 0.600 1.00 0.00 O ATOM 677 CB GLN A 43 -2.149 5.006 1.833 1.00 0.00 C ATOM 678 CG GLN A 43 -0.907 4.994 2.726 1.00 0.00 C ATOM 679 CD GLN A 43 -1.098 5.901 3.943 1.00 0.00 C ATOM 680 OE1 GLN A 43 -2.194 5.636 4.649 1.00 0.00 O flip ATOM 681 NE2 GLN A 43 -0.303 6.783 4.223 1.00 0.00 N flip ATOM 0 H GLN A 43 -3.772 4.513 -0.359 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.883 4.305 0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.395 6.032 1.560 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -3.002 4.610 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.702 3.976 3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.040 5.325 2.154 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.519 6.933 3.638 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.460 7.370 5.042 1.00 0.00 H new ATOM 690 N VAL A 44 -1.126 2.031 1.325 1.00 0.00 N ATOM 691 CA VAL A 44 -1.213 0.613 1.628 1.00 0.00 C ATOM 692 C VAL A 44 -0.488 0.332 2.946 1.00 0.00 C ATOM 693 O VAL A 44 0.649 0.760 3.137 1.00 0.00 O ATOM 694 CB VAL A 44 -0.665 -0.206 0.458 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.834 0.041 0.270 1.00 0.00 C ATOM 696 CG2 VAL A 44 -0.955 -1.696 0.648 1.00 0.00 C ATOM 0 H VAL A 44 -0.218 2.453 1.519 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.253 0.313 1.759 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.175 0.122 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.198 -0.553 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.006 1.098 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.367 -0.246 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.555 -2.255 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.485 -2.044 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.032 -1.852 0.709 1.00 0.00 H new ATOM 706 N LYS A 45 -1.177 -0.386 3.821 1.00 0.00 N ATOM 707 CA LYS A 45 -0.613 -0.730 5.115 1.00 0.00 C ATOM 708 C LYS A 45 -0.490 -2.251 5.225 1.00 0.00 C ATOM 709 O LYS A 45 -1.490 -2.964 5.169 1.00 0.00 O ATOM 710 CB LYS A 45 -1.433 -0.096 6.241 1.00 0.00 C ATOM 711 CG LYS A 45 -0.528 0.365 7.385 1.00 0.00 C ATOM 712 CD LYS A 45 -1.351 0.961 8.530 1.00 0.00 C ATOM 713 CE LYS A 45 -0.636 2.163 9.151 1.00 0.00 C ATOM 714 NZ LYS A 45 -0.045 1.796 10.457 1.00 0.00 N ATOM 0 H LYS A 45 -2.120 -0.739 3.659 1.00 0.00 H new ATOM 0 HA LYS A 45 0.393 -0.321 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.995 0.753 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.161 -0.816 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.057 -0.478 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.180 1.107 7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.329 1.267 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.523 0.202 9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.145 2.517 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.340 2.985 9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.436 2.623 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.797 1.480 11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.642 1.027 10.323 1.00 0.00 H new ATOM 728 N VAL A 46 0.746 -2.702 5.381 1.00 0.00 N ATOM 729 CA VAL A 46 1.014 -4.125 5.500 1.00 0.00 C ATOM 730 C VAL A 46 1.798 -4.387 6.787 1.00 0.00 C ATOM 731 O VAL A 46 2.967 -4.019 6.892 1.00 0.00 O ATOM 732 CB VAL A 46 1.736 -4.628 4.248 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.589 -5.859 4.564 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.741 -4.924 3.123 1.00 0.00 C ATOM 0 H VAL A 46 1.573 -2.107 5.428 1.00 0.00 H new ATOM 0 HA VAL A 46 0.081 -4.684 5.568 1.00 0.00 H new ATOM 0 HB VAL A 46 2.403 -3.837 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.091 -6.196 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.334 -5.602 5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.950 -6.657 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.280 -5.280 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.037 -5.689 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.196 -4.014 2.870 1.00 0.00 H new ATOM 744 N GLY A 47 1.123 -5.020 7.735 1.00 0.00 N ATOM 745 CA GLY A 47 1.741 -5.335 9.011 1.00 0.00 C ATOM 746 C GLY A 47 2.234 -4.067 9.710 1.00 0.00 C ATOM 747 O GLY A 47 1.433 -3.279 10.211 1.00 0.00 O ATOM 0 H GLY A 47 0.153 -5.323 7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.023 -5.851 9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.577 -6.017 8.856 1.00 0.00 H new ATOM 751 N ASN A 48 3.549 -3.908 9.721 1.00 0.00 N ATOM 752 CA ASN A 48 4.158 -2.748 10.350 1.00 0.00 C ATOM 753 C ASN A 48 4.835 -1.889 9.279 1.00 0.00 C ATOM 754 O ASN A 48 5.779 -1.157 9.571 1.00 0.00 O ATOM 755 CB ASN A 48 5.225 -3.167 11.363 1.00 0.00 C ATOM 756 CG ASN A 48 4.743 -2.930 12.796 1.00 0.00 C ATOM 757 OD1 ASN A 48 4.070 -1.958 13.099 1.00 0.00 O ATOM 758 ND2 ASN A 48 5.125 -3.868 13.657 1.00 0.00 N ATOM 0 H ASN A 48 4.210 -4.563 9.304 1.00 0.00 H new ATOM 0 HA ASN A 48 3.373 -2.192 10.862 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.467 -4.221 11.227 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.141 -2.604 11.186 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.855 -3.800 14.638 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.688 -4.656 13.336 1.00 0.00 H new ATOM 765 N GLU A 49 4.325 -2.008 8.062 1.00 0.00 N ATOM 766 CA GLU A 49 4.868 -1.251 6.947 1.00 0.00 C ATOM 767 C GLU A 49 3.746 -0.527 6.199 1.00 0.00 C ATOM 768 O GLU A 49 2.584 -0.922 6.284 1.00 0.00 O ATOM 769 CB GLU A 49 5.659 -2.158 6.002 1.00 0.00 C ATOM 770 CG GLU A 49 7.093 -2.352 6.501 1.00 0.00 C ATOM 771 CD GLU A 49 7.185 -3.543 7.456 1.00 0.00 C ATOM 772 OE1 GLU A 49 7.407 -4.663 6.947 1.00 0.00 O ATOM 773 OE2 GLU A 49 7.033 -3.307 8.674 1.00 0.00 O ATOM 0 H GLU A 49 3.542 -2.617 7.824 1.00 0.00 H new ATOM 0 HA GLU A 49 5.556 -0.504 7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.164 -3.126 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.674 -1.724 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.759 -2.510 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.431 -1.448 7.008 1.00 0.00 H new ATOM 780 N VAL A 50 4.133 0.519 5.485 1.00 0.00 N ATOM 781 CA VAL A 50 3.174 1.301 4.723 1.00 0.00 C ATOM 782 C VAL A 50 3.817 1.749 3.409 1.00 0.00 C ATOM 783 O VAL A 50 5.033 1.923 3.336 1.00 0.00 O ATOM 784 CB VAL A 50 2.664 2.470 5.568 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.381 3.770 5.196 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.148 2.623 5.435 1.00 0.00 C ATOM 0 H VAL A 50 5.098 0.844 5.418 1.00 0.00 H new ATOM 0 HA VAL A 50 2.303 0.696 4.469 1.00 0.00 H new ATOM 0 HB VAL A 50 2.888 2.251 6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.000 4.585 5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.452 3.657 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.203 3.996 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.812 3.461 6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.891 2.808 4.392 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.659 1.709 5.772 1.00 0.00 H new ATOM 796 N ALA A 51 2.972 1.923 2.403 1.00 0.00 N ATOM 797 CA ALA A 51 3.443 2.347 1.096 1.00 0.00 C ATOM 798 C ALA A 51 2.364 3.196 0.421 1.00 0.00 C ATOM 799 O ALA A 51 1.235 3.272 0.905 1.00 0.00 O ATOM 800 CB ALA A 51 3.822 1.119 0.266 1.00 0.00 C ATOM 0 H ALA A 51 1.964 1.778 2.467 1.00 0.00 H new ATOM 0 HA ALA A 51 4.337 2.964 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.175 1.438 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.612 0.566 0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.949 0.477 0.146 1.00 0.00 H new ATOM 806 N THR A 52 2.748 3.814 -0.686 1.00 0.00 N ATOM 807 CA THR A 52 1.827 4.655 -1.432 1.00 0.00 C ATOM 808 C THR A 52 1.910 4.339 -2.927 1.00 0.00 C ATOM 809 O THR A 52 2.918 3.818 -3.401 1.00 0.00 O ATOM 810 CB THR A 52 2.145 6.114 -1.101 1.00 0.00 C ATOM 811 OG1 THR A 52 3.567 6.150 -1.018 1.00 0.00 O ATOM 812 CG2 THR A 52 1.680 6.510 0.302 1.00 0.00 C ATOM 0 H THR A 52 3.685 3.749 -1.085 1.00 0.00 H new ATOM 0 HA THR A 52 0.793 4.460 -1.147 1.00 0.00 H new ATOM 0 HB THR A 52 1.673 6.764 -1.838 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.859 7.061 -0.808 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.930 7.555 0.487 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.601 6.376 0.379 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.178 5.882 1.041 1.00 0.00 H new ATOM 820 N GLY A 53 0.835 4.669 -3.629 1.00 0.00 N ATOM 821 CA GLY A 53 0.773 4.428 -5.060 1.00 0.00 C ATOM 822 C GLY A 53 -0.007 5.537 -5.770 1.00 0.00 C ATOM 823 O GLY A 53 -1.015 6.019 -5.255 1.00 0.00 O ATOM 0 H GLY A 53 0.000 5.101 -3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.783 4.371 -5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.298 3.466 -5.250 1.00 0.00 H new ATOM 827 N THR A 54 0.489 5.908 -6.941 1.00 0.00 N ATOM 828 CA THR A 54 -0.149 6.951 -7.727 1.00 0.00 C ATOM 829 C THR A 54 -0.334 6.491 -9.174 1.00 0.00 C ATOM 830 O THR A 54 0.320 5.548 -9.618 1.00 0.00 O ATOM 831 CB THR A 54 0.692 8.223 -7.596 1.00 0.00 C ATOM 832 OG1 THR A 54 1.988 7.828 -8.038 1.00 0.00 O ATOM 833 CG2 THR A 54 0.905 8.637 -6.139 1.00 0.00 C ATOM 0 H THR A 54 1.325 5.505 -7.365 1.00 0.00 H new ATOM 0 HA THR A 54 -1.151 7.167 -7.358 1.00 0.00 H new ATOM 0 HB THR A 54 0.207 9.036 -8.137 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.598 8.593 -7.988 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.508 9.545 -6.103 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.061 8.824 -5.669 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.420 7.838 -5.605 1.00 0.00 H new ATOM 841 N GLY A 55 -1.229 7.177 -9.870 1.00 0.00 N ATOM 842 CA GLY A 55 -1.508 6.851 -11.258 1.00 0.00 C ATOM 843 C GLY A 55 -2.551 7.803 -11.846 1.00 0.00 C ATOM 844 O GLY A 55 -2.749 8.904 -11.336 1.00 0.00 O ATOM 0 H GLY A 55 -1.770 7.957 -9.498 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.589 6.909 -11.841 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.867 5.824 -11.329 1.00 0.00 H new ATOM 848 N PRO A 56 -3.208 7.332 -12.940 1.00 0.00 N ATOM 849 CA PRO A 56 -4.225 8.129 -13.603 1.00 0.00 C ATOM 850 C PRO A 56 -5.522 8.149 -12.791 1.00 0.00 C ATOM 851 O PRO A 56 -6.208 9.168 -12.734 1.00 0.00 O ATOM 852 CB PRO A 56 -4.393 7.493 -14.973 1.00 0.00 C ATOM 853 CG PRO A 56 -3.807 6.094 -14.858 1.00 0.00 C ATOM 854 CD PRO A 56 -2.999 6.032 -13.572 1.00 0.00 C ATOM 0 HA PRO A 56 -3.942 9.177 -13.697 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.444 7.454 -15.259 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.876 8.072 -15.738 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.601 5.347 -14.846 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.174 5.873 -15.718 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.339 5.220 -12.929 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.943 5.856 -13.776 1.00 0.00 H new ATOM 862 N ASN A 57 -5.819 7.010 -12.182 1.00 0.00 N ATOM 863 CA ASN A 57 -7.021 6.884 -11.375 1.00 0.00 C ATOM 864 C ASN A 57 -6.679 6.164 -10.069 1.00 0.00 C ATOM 865 O ASN A 57 -5.545 5.732 -9.872 1.00 0.00 O ATOM 866 CB ASN A 57 -8.088 6.064 -12.102 1.00 0.00 C ATOM 867 CG ASN A 57 -7.447 5.017 -13.016 1.00 0.00 C ATOM 868 OD1 ASN A 57 -7.132 3.881 -12.400 1.00 0.00 O flip ATOM 869 ND2 ASN A 57 -7.253 5.227 -14.202 1.00 0.00 N flip ATOM 0 H ASN A 57 -5.248 6.166 -12.231 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.405 7.886 -11.182 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.732 5.571 -11.374 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.722 6.727 -12.691 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.519 6.122 -14.612 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.825 4.507 -14.784 1.00 0.00 H new ATOM 876 N LYS A 58 -7.682 6.058 -9.210 1.00 0.00 N ATOM 877 CA LYS A 58 -7.503 5.399 -7.927 1.00 0.00 C ATOM 878 C LYS A 58 -7.080 3.947 -8.160 1.00 0.00 C ATOM 879 O LYS A 58 -6.084 3.489 -7.602 1.00 0.00 O ATOM 880 CB LYS A 58 -8.762 5.543 -7.070 1.00 0.00 C ATOM 881 CG LYS A 58 -8.600 4.817 -5.732 1.00 0.00 C ATOM 882 CD LYS A 58 -9.898 4.113 -5.330 1.00 0.00 C ATOM 883 CE LYS A 58 -10.789 5.039 -4.500 1.00 0.00 C ATOM 884 NZ LYS A 58 -10.748 4.655 -3.072 1.00 0.00 N ATOM 0 H LYS A 58 -8.622 6.417 -9.377 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.704 5.878 -7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.967 6.599 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.620 5.138 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.794 4.087 -5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.315 5.531 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.433 3.792 -6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.667 3.215 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.458 6.071 -4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.815 4.991 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.247 5.371 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.210 3.732 -2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.759 4.592 -2.758 1.00 0.00 H new ATOM 898 N LYS A 59 -7.859 3.263 -8.986 1.00 0.00 N ATOM 899 CA LYS A 59 -7.578 1.872 -9.300 1.00 0.00 C ATOM 900 C LYS A 59 -6.064 1.671 -9.391 1.00 0.00 C ATOM 901 O LYS A 59 -5.445 1.154 -8.462 1.00 0.00 O ATOM 902 CB LYS A 59 -8.332 1.444 -10.559 1.00 0.00 C ATOM 903 CG LYS A 59 -9.657 0.767 -10.202 1.00 0.00 C ATOM 904 CD LYS A 59 -9.422 -0.484 -9.353 1.00 0.00 C ATOM 905 CE LYS A 59 -10.215 -0.417 -8.046 1.00 0.00 C ATOM 906 NZ LYS A 59 -10.775 -1.746 -7.711 1.00 0.00 N ATOM 0 H LYS A 59 -8.684 3.646 -9.447 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.939 1.221 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.522 2.315 -11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.715 0.760 -11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.292 1.466 -9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.189 0.497 -11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.716 -1.370 -9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.359 -0.584 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.568 -0.074 -7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.021 0.311 -8.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.310 -1.683 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.408 -2.058 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.001 -2.431 -7.601 1.00 0.00 H new ATOM 920 N ILE A 60 -5.510 2.089 -10.520 1.00 0.00 N ATOM 921 CA ILE A 60 -4.081 1.961 -10.745 1.00 0.00 C ATOM 922 C ILE A 60 -3.328 2.443 -9.504 1.00 0.00 C ATOM 923 O ILE A 60 -2.503 1.716 -8.952 1.00 0.00 O ATOM 924 CB ILE A 60 -3.674 2.685 -12.031 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.185 1.939 -13.265 1.00 0.00 C ATOM 926 CG2 ILE A 60 -2.161 2.906 -12.080 1.00 0.00 C ATOM 927 CD1 ILE A 60 -4.161 2.842 -14.500 1.00 0.00 C ATOM 0 H ILE A 60 -6.026 2.517 -11.289 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.812 0.916 -10.896 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.143 3.669 -12.033 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.569 1.057 -13.443 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.201 1.587 -13.087 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.898 3.422 -13.003 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.854 3.510 -11.227 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.651 1.943 -12.045 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.529 2.288 -15.363 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.797 3.710 -14.328 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.140 3.172 -14.689 1.00 0.00 H new ATOM 939 N ALA A 61 -3.639 3.666 -9.100 1.00 0.00 N ATOM 940 CA ALA A 61 -3.002 4.254 -7.934 1.00 0.00 C ATOM 941 C ALA A 61 -2.916 3.206 -6.823 1.00 0.00 C ATOM 942 O ALA A 61 -1.974 3.210 -6.032 1.00 0.00 O ATOM 943 CB ALA A 61 -3.778 5.500 -7.502 1.00 0.00 C ATOM 0 H ALA A 61 -4.324 4.266 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.985 4.569 -8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.300 5.941 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.785 6.225 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.803 5.223 -7.255 1.00 0.00 H new ATOM 949 N LYS A 62 -3.912 2.333 -6.798 1.00 0.00 N ATOM 950 CA LYS A 62 -3.961 1.281 -5.797 1.00 0.00 C ATOM 951 C LYS A 62 -2.931 0.204 -6.144 1.00 0.00 C ATOM 952 O LYS A 62 -2.174 -0.236 -5.280 1.00 0.00 O ATOM 953 CB LYS A 62 -5.387 0.744 -5.653 1.00 0.00 C ATOM 954 CG LYS A 62 -5.538 -0.075 -4.369 1.00 0.00 C ATOM 955 CD LYS A 62 -5.645 -1.569 -4.681 1.00 0.00 C ATOM 956 CE LYS A 62 -7.080 -1.950 -5.047 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.230 -2.053 -6.516 1.00 0.00 N ATOM 0 H LYS A 62 -4.692 2.333 -7.455 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.693 1.675 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.093 1.575 -5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.635 0.124 -6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.683 0.104 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.426 0.252 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.977 -1.821 -5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.320 -2.149 -3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.340 -2.901 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.772 -1.204 -4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.027 -1.461 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.357 -1.728 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.412 -3.043 -6.778 1.00 0.00 H new ATOM 971 N LYS A 63 -2.935 -0.188 -7.409 1.00 0.00 N ATOM 972 CA LYS A 63 -2.009 -1.204 -7.881 1.00 0.00 C ATOM 973 C LYS A 63 -0.575 -0.757 -7.588 1.00 0.00 C ATOM 974 O LYS A 63 0.249 -1.556 -7.146 1.00 0.00 O ATOM 975 CB LYS A 63 -2.266 -1.520 -9.356 1.00 0.00 C ATOM 976 CG LYS A 63 -3.162 -2.752 -9.505 1.00 0.00 C ATOM 977 CD LYS A 63 -4.332 -2.468 -10.449 1.00 0.00 C ATOM 978 CE LYS A 63 -5.345 -1.525 -9.798 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.726 -1.936 -10.134 1.00 0.00 N ATOM 0 H LYS A 63 -3.565 0.179 -8.122 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.167 -2.141 -7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.736 -0.663 -9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.318 -1.692 -9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.576 -3.588 -9.887 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.542 -3.050 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.959 -2.026 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.822 -3.404 -10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.211 -1.529 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.170 -0.504 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.243 -1.125 -10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.699 -2.704 -10.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.208 -2.268 -9.274 1.00 0.00 H new ATOM 993 N ASN A 64 -0.322 0.517 -7.847 1.00 0.00 N ATOM 994 CA ASN A 64 0.998 1.079 -7.617 1.00 0.00 C ATOM 995 C ASN A 64 1.318 1.023 -6.122 1.00 0.00 C ATOM 996 O ASN A 64 2.477 0.875 -5.737 1.00 0.00 O ATOM 997 CB ASN A 64 1.057 2.543 -8.059 1.00 0.00 C ATOM 998 CG ASN A 64 1.434 2.655 -9.538 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.575 2.892 -9.898 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.414 2.470 -10.371 1.00 0.00 N ATOM 0 H ASN A 64 -1.008 1.176 -8.214 1.00 0.00 H new ATOM 0 HA ASN A 64 1.718 0.498 -8.194 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.090 3.017 -7.890 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.786 3.081 -7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.562 2.523 -11.379 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.517 2.275 -10.002 1.00 0.00 H new ATOM 1007 N ALA A 65 0.270 1.145 -5.320 1.00 0.00 N ATOM 1008 CA ALA A 65 0.425 1.110 -3.876 1.00 0.00 C ATOM 1009 C ALA A 65 1.059 -0.221 -3.468 1.00 0.00 C ATOM 1010 O ALA A 65 2.022 -0.246 -2.702 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.934 1.337 -3.211 1.00 0.00 C ATOM 0 H ALA A 65 -0.690 1.268 -5.643 1.00 0.00 H new ATOM 0 HA ALA A 65 1.089 1.907 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.818 1.311 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.328 2.308 -3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.626 0.554 -3.521 1.00 0.00 H new ATOM 1017 N ALA A 66 0.494 -1.297 -3.996 1.00 0.00 N ATOM 1018 CA ALA A 66 0.992 -2.628 -3.696 1.00 0.00 C ATOM 1019 C ALA A 66 2.405 -2.779 -4.263 1.00 0.00 C ATOM 1020 O ALA A 66 3.285 -3.335 -3.607 1.00 0.00 O ATOM 1021 CB ALA A 66 0.024 -3.673 -4.255 1.00 0.00 C ATOM 0 H ALA A 66 -0.305 -1.274 -4.630 1.00 0.00 H new ATOM 0 HA ALA A 66 1.051 -2.782 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.397 -4.672 -4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.957 -3.541 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.059 -3.551 -5.335 1.00 0.00 H new ATOM 1027 N GLU A 67 2.578 -2.275 -5.476 1.00 0.00 N ATOM 1028 CA GLU A 67 3.869 -2.347 -6.139 1.00 0.00 C ATOM 1029 C GLU A 67 4.954 -1.726 -5.257 1.00 0.00 C ATOM 1030 O GLU A 67 5.989 -2.344 -5.011 1.00 0.00 O ATOM 1031 CB GLU A 67 3.821 -1.668 -7.509 1.00 0.00 C ATOM 1032 CG GLU A 67 4.965 -2.153 -8.402 1.00 0.00 C ATOM 1033 CD GLU A 67 4.886 -1.512 -9.789 1.00 0.00 C ATOM 1034 OE1 GLU A 67 5.347 -0.357 -9.908 1.00 0.00 O ATOM 1035 OE2 GLU A 67 4.367 -2.193 -10.700 1.00 0.00 O ATOM 0 H GLU A 67 1.846 -1.815 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 67 4.115 -3.397 -6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.866 -1.878 -7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.885 -0.587 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.921 -1.910 -7.939 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.923 -3.238 -8.496 1.00 0.00 H new ATOM 1042 N ALA A 68 4.680 -0.511 -4.804 1.00 0.00 N ATOM 1043 CA ALA A 68 5.620 0.200 -3.954 1.00 0.00 C ATOM 1044 C ALA A 68 5.897 -0.631 -2.700 1.00 0.00 C ATOM 1045 O ALA A 68 7.035 -0.704 -2.238 1.00 0.00 O ATOM 1046 CB ALA A 68 5.061 1.586 -3.623 1.00 0.00 C ATOM 0 H ALA A 68 3.821 -0.001 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 68 6.569 0.345 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.766 2.120 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.909 2.147 -4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.109 1.480 -3.102 1.00 0.00 H new ATOM 1052 N MET A 69 4.837 -1.237 -2.184 1.00 0.00 N ATOM 1053 CA MET A 69 4.953 -2.060 -0.992 1.00 0.00 C ATOM 1054 C MET A 69 5.877 -3.255 -1.238 1.00 0.00 C ATOM 1055 O MET A 69 6.822 -3.478 -0.484 1.00 0.00 O ATOM 1056 CB MET A 69 3.567 -2.562 -0.582 1.00 0.00 C ATOM 1057 CG MET A 69 3.671 -3.640 0.498 1.00 0.00 C ATOM 1058 SD MET A 69 4.649 -3.041 1.866 1.00 0.00 S ATOM 1059 CE MET A 69 3.430 -2.041 2.703 1.00 0.00 C ATOM 0 H MET A 69 3.895 -1.174 -2.569 1.00 0.00 H new ATOM 0 HA MET A 69 5.380 -1.453 -0.194 1.00 0.00 H new ATOM 0 HB2 MET A 69 2.969 -1.729 -0.213 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.050 -2.964 -1.453 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.675 -3.916 0.845 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.124 -4.540 0.083 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.631 -2.043 3.774 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.477 -1.019 2.327 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.436 -2.449 2.520 1.00 0.00 H new ATOM 1069 N LEU A 70 5.570 -3.991 -2.296 1.00 0.00 N ATOM 1070 CA LEU A 70 6.361 -5.157 -2.651 1.00 0.00 C ATOM 1071 C LEU A 70 7.811 -4.731 -2.888 1.00 0.00 C ATOM 1072 O LEU A 70 8.741 -5.451 -2.526 1.00 0.00 O ATOM 1073 CB LEU A 70 5.733 -5.890 -3.838 1.00 0.00 C ATOM 1074 CG LEU A 70 4.237 -6.190 -3.725 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.543 -6.033 -5.080 1.00 0.00 C ATOM 1076 CD2 LEU A 70 4.000 -7.574 -3.117 1.00 0.00 C ATOM 0 H LEU A 70 4.785 -3.803 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 70 6.369 -5.876 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.897 -5.294 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.263 -6.832 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 70 3.792 -5.460 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.481 -6.252 -4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.669 -5.011 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.985 -6.724 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.929 -7.762 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.462 -8.333 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.441 -7.614 -2.121 1.00 0.00 H new ATOM 1088 N LEU A 71 7.960 -3.563 -3.496 1.00 0.00 N ATOM 1089 CA LEU A 71 9.281 -3.033 -3.786 1.00 0.00 C ATOM 1090 C LEU A 71 9.972 -2.651 -2.476 1.00 0.00 C ATOM 1091 O LEU A 71 11.169 -2.879 -2.312 1.00 0.00 O ATOM 1092 CB LEU A 71 9.188 -1.882 -4.790 1.00 0.00 C ATOM 1093 CG LEU A 71 9.375 -2.259 -6.262 1.00 0.00 C ATOM 1094 CD1 LEU A 71 8.284 -1.631 -7.131 1.00 0.00 C ATOM 1095 CD2 LEU A 71 10.778 -1.891 -6.747 1.00 0.00 C ATOM 0 H LEU A 71 7.187 -2.969 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 71 9.900 -3.793 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.214 -1.406 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.939 -1.136 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 71 9.276 -3.341 -6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.440 -1.914 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.307 -1.985 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.326 -0.546 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.885 -2.169 -7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.930 -0.817 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.520 -2.424 -6.153 1.00 0.00 H new ATOM 1107 N GLN A 72 9.187 -2.076 -1.576 1.00 0.00 N ATOM 1108 CA GLN A 72 9.708 -1.661 -0.285 1.00 0.00 C ATOM 1109 C GLN A 72 10.005 -2.883 0.586 1.00 0.00 C ATOM 1110 O GLN A 72 10.881 -2.837 1.448 1.00 0.00 O ATOM 1111 CB GLN A 72 8.738 -0.709 0.418 1.00 0.00 C ATOM 1112 CG GLN A 72 8.029 -1.408 1.579 1.00 0.00 C ATOM 1113 CD GLN A 72 7.007 -0.479 2.237 1.00 0.00 C ATOM 1114 OE1 GLN A 72 5.819 -0.527 1.964 1.00 0.00 O ATOM 1115 NE2 GLN A 72 7.534 0.368 3.117 1.00 0.00 N ATOM 0 H GLN A 72 8.194 -1.888 -1.716 1.00 0.00 H new ATOM 0 HA GLN A 72 10.641 -1.121 -0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.281 0.160 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.000 -0.343 -0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.529 -2.306 1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 72 8.763 -1.728 2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.538 0.356 3.299 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.935 1.030 3.610 1.00 0.00 H new ATOM 1124 N LEU A 73 9.258 -3.947 0.331 1.00 0.00 N ATOM 1125 CA LEU A 73 9.430 -5.180 1.081 1.00 0.00 C ATOM 1126 C LEU A 73 10.681 -5.905 0.581 1.00 0.00 C ATOM 1127 O LEU A 73 11.309 -6.654 1.328 1.00 0.00 O ATOM 1128 CB LEU A 73 8.159 -6.029 1.015 1.00 0.00 C ATOM 1129 CG LEU A 73 6.962 -5.506 1.811 1.00 0.00 C ATOM 1130 CD1 LEU A 73 5.747 -6.420 1.637 1.00 0.00 C ATOM 1131 CD2 LEU A 73 7.325 -5.311 3.285 1.00 0.00 C ATOM 0 H LEU A 73 8.532 -3.981 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 73 9.587 -4.965 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.862 -6.123 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.397 -7.032 1.370 1.00 0.00 H new ATOM 0 HG LEU A 73 6.690 -4.528 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.910 -6.026 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.473 -6.465 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.991 -7.422 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.456 -4.939 3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.638 -6.264 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.140 -4.591 3.367 1.00 0.00 H new ATOM 1143 N GLY A 74 11.006 -5.657 -0.679 1.00 0.00 N ATOM 1144 CA GLY A 74 12.171 -6.278 -1.287 1.00 0.00 C ATOM 1145 C GLY A 74 11.772 -7.506 -2.108 1.00 0.00 C ATOM 1146 O GLY A 74 12.508 -8.491 -2.155 1.00 0.00 O ATOM 0 H GLY A 74 10.483 -5.035 -1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.679 -5.557 -1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.879 -6.569 -0.511 1.00 0.00 H new ATOM 1150 N TYR A 75 10.609 -7.408 -2.734 1.00 0.00 N ATOM 1151 CA TYR A 75 10.103 -8.498 -3.550 1.00 0.00 C ATOM 1152 C TYR A 75 10.227 -8.172 -5.039 1.00 0.00 C ATOM 1153 O TYR A 75 10.079 -9.052 -5.886 1.00 0.00 O ATOM 1154 CB TYR A 75 8.622 -8.641 -3.193 1.00 0.00 C ATOM 1155 CG TYR A 75 8.369 -9.339 -1.855 1.00 0.00 C ATOM 1156 CD1 TYR A 75 8.965 -8.862 -0.705 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.545 -10.444 -1.798 1.00 0.00 C ATOM 1158 CE1 TYR A 75 8.727 -9.519 0.554 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.307 -11.101 -0.539 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.910 -10.606 0.575 1.00 0.00 C ATOM 1161 OH TYR A 75 7.685 -11.226 1.765 1.00 0.00 O ATOM 0 H TYR A 75 10.002 -6.589 -2.692 1.00 0.00 H new ATOM 0 HA TYR A 75 10.668 -9.411 -3.363 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.168 -7.650 -3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.121 -9.200 -3.983 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.609 -7.997 -0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.078 -10.816 -2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.187 -9.157 1.461 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.664 -11.967 -0.481 1.00 0.00 H new ATOM 0 HH TYR A 75 7.081 -11.986 1.629 1.00 0.00 H new ATOM 1171 N LYS A 76 10.498 -6.904 -5.314 1.00 0.00 N ATOM 1172 CA LYS A 76 10.644 -6.450 -6.686 1.00 0.00 C ATOM 1173 C LYS A 76 11.811 -5.464 -6.772 1.00 0.00 C ATOM 1174 O LYS A 76 11.847 -4.616 -7.662 1.00 0.00 O ATOM 1175 CB LYS A 76 9.321 -5.885 -7.207 1.00 0.00 C ATOM 1176 CG LYS A 76 8.704 -6.811 -8.256 1.00 0.00 C ATOM 1177 CD LYS A 76 7.969 -6.009 -9.332 1.00 0.00 C ATOM 1178 CE LYS A 76 6.508 -6.449 -9.443 1.00 0.00 C ATOM 1179 NZ LYS A 76 6.386 -7.622 -10.337 1.00 0.00 N ATOM 0 H LYS A 76 10.620 -6.177 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 76 10.886 -7.287 -7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.626 -5.755 -6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.488 -4.899 -7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.485 -7.415 -8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.011 -7.501 -7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.015 -4.946 -9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.466 -6.142 -10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.120 -6.696 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.903 -5.628 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.414 -7.990 -10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.608 -7.339 -11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.050 -8.362 -10.032 1.00 0.00 H new ATOM 1193 N ALA A 77 12.736 -5.608 -5.834 1.00 0.00 N ATOM 1194 CA ALA A 77 13.900 -4.740 -5.792 1.00 0.00 C ATOM 1195 C ALA A 77 14.930 -5.226 -6.815 1.00 0.00 C ATOM 1196 O ALA A 77 15.412 -4.445 -7.634 1.00 0.00 O ATOM 1197 CB ALA A 77 14.462 -4.708 -4.369 1.00 0.00 C ATOM 0 H ALA A 77 12.703 -6.313 -5.097 1.00 0.00 H new ATOM 0 HA ALA A 77 13.627 -3.719 -6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.335 -4.057 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.702 -4.329 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.750 -5.716 -4.069 1.00 0.00 H new ATOM 1203 N SER A 78 15.236 -6.512 -6.734 1.00 0.00 N ATOM 1204 CA SER A 78 16.199 -7.111 -7.642 1.00 0.00 C ATOM 1205 C SER A 78 15.934 -6.637 -9.072 1.00 0.00 C ATOM 1206 O SER A 78 16.824 -6.092 -9.724 1.00 0.00 O ATOM 1207 CB SER A 78 16.147 -8.639 -7.572 1.00 0.00 C ATOM 1208 OG SER A 78 17.118 -9.246 -8.420 1.00 0.00 O ATOM 0 H SER A 78 14.834 -7.156 -6.053 1.00 0.00 H new ATOM 0 HA SER A 78 17.197 -6.794 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.312 -8.961 -6.544 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.152 -8.981 -7.857 1.00 0.00 H new ATOM 0 HG SER A 78 17.054 -10.221 -8.345 1.00 0.00 H new ATOM 1214 N THR A 79 14.707 -6.861 -9.519 1.00 0.00 N ATOM 1215 CA THR A 79 14.315 -6.463 -10.860 1.00 0.00 C ATOM 1216 C THR A 79 14.454 -4.949 -11.030 1.00 0.00 C ATOM 1217 O THR A 79 15.144 -4.483 -11.936 1.00 0.00 O ATOM 1218 CB THR A 79 12.894 -6.974 -11.108 1.00 0.00 C ATOM 1219 OG1 THR A 79 13.017 -8.392 -11.036 1.00 0.00 O ATOM 1220 CG2 THR A 79 12.419 -6.714 -12.539 1.00 0.00 C ATOM 0 H THR A 79 13.971 -7.313 -8.976 1.00 0.00 H new ATOM 0 HA THR A 79 14.971 -6.904 -11.611 1.00 0.00 H new ATOM 0 HB THR A 79 12.210 -6.497 -10.406 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.140 -8.804 -11.184 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.405 -7.096 -12.661 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.429 -5.642 -12.737 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.084 -7.218 -13.240 1.00 0.00 H new ATOM 1228 N SER A 80 13.789 -4.223 -10.144 1.00 0.00 N ATOM 1229 CA SER A 80 13.830 -2.771 -10.184 1.00 0.00 C ATOM 1230 C SER A 80 15.248 -2.296 -10.508 1.00 0.00 C ATOM 1231 O SER A 80 15.467 -1.625 -11.515 1.00 0.00 O ATOM 1232 CB SER A 80 13.359 -2.170 -8.858 1.00 0.00 C ATOM 1233 OG SER A 80 13.243 -0.751 -8.927 1.00 0.00 O ATOM 0 H SER A 80 13.218 -4.613 -9.394 1.00 0.00 H new ATOM 0 HA SER A 80 13.152 -2.431 -10.967 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.395 -2.600 -8.587 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.061 -2.439 -8.068 1.00 0.00 H new ATOM 0 HG SER A 80 12.938 -0.405 -8.062 1.00 0.00 H new ATOM 1239 N LEU A 81 16.175 -2.664 -9.635 1.00 0.00 N ATOM 1240 CA LEU A 81 17.565 -2.284 -9.815 1.00 0.00 C ATOM 1241 C LEU A 81 18.000 -2.620 -11.243 1.00 0.00 C ATOM 1242 O LEU A 81 18.308 -1.725 -12.029 1.00 0.00 O ATOM 1243 CB LEU A 81 18.441 -2.929 -8.739 1.00 0.00 C ATOM 1244 CG LEU A 81 19.191 -1.964 -7.818 1.00 0.00 C ATOM 1245 CD1 LEU A 81 18.388 -1.684 -6.546 1.00 0.00 C ATOM 1246 CD2 LEU A 81 20.596 -2.484 -7.506 1.00 0.00 C ATOM 0 H LEU A 81 15.990 -3.221 -8.801 1.00 0.00 H new ATOM 0 HA LEU A 81 17.685 -1.208 -9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 81 17.812 -3.572 -8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 81 19.171 -3.572 -9.230 1.00 0.00 H new ATOM 0 HG LEU A 81 19.308 -1.015 -8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 81 18.944 -0.996 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.429 -1.239 -6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.219 -2.618 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 81 21.107 -1.780 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.524 -3.453 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 81 21.159 -2.590 -8.433 1.00 0.00 H new ATOM 1258 N GLN A 82 18.011 -3.912 -11.536 1.00 0.00 N ATOM 1259 CA GLN A 82 18.402 -4.377 -12.856 1.00 0.00 C ATOM 1260 C GLN A 82 17.855 -3.438 -13.934 1.00 0.00 C ATOM 1261 O GLN A 82 18.621 -2.795 -14.649 1.00 0.00 O ATOM 1262 CB GLN A 82 17.935 -5.814 -13.092 1.00 0.00 C ATOM 1263 CG GLN A 82 19.008 -6.817 -12.663 1.00 0.00 C ATOM 1264 CD GLN A 82 18.503 -8.255 -12.806 1.00 0.00 C ATOM 1265 OE1 GLN A 82 17.997 -8.663 -13.838 1.00 0.00 O ATOM 1266 NE2 GLN A 82 18.669 -8.997 -11.715 1.00 0.00 N ATOM 0 H GLN A 82 17.755 -4.652 -10.882 1.00 0.00 H new ATOM 0 HA GLN A 82 19.490 -4.370 -12.914 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.017 -5.998 -12.534 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.701 -5.955 -14.147 1.00 0.00 H new ATOM 0 HG2 GLN A 82 19.903 -6.680 -13.270 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.293 -6.629 -11.628 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.100 -8.593 -10.884 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.365 -9.971 -11.709 1.00 0.00 H new ATOM 1275 N ASP A 83 16.534 -3.390 -14.015 1.00 0.00 N ATOM 1276 CA ASP A 83 15.875 -2.541 -14.993 1.00 0.00 C ATOM 1277 C ASP A 83 16.612 -1.203 -15.079 1.00 0.00 C ATOM 1278 O ASP A 83 17.019 -0.783 -16.161 1.00 0.00 O ATOM 1279 CB ASP A 83 14.426 -2.258 -14.591 1.00 0.00 C ATOM 1280 CG ASP A 83 13.621 -1.442 -15.604 1.00 0.00 C ATOM 1281 OD1 ASP A 83 14.146 -0.391 -16.031 1.00 0.00 O ATOM 1282 OD2 ASP A 83 12.499 -1.888 -15.928 1.00 0.00 O ATOM 0 H ASP A 83 15.902 -3.925 -13.420 1.00 0.00 H new ATOM 0 HA ASP A 83 15.888 -3.059 -15.952 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.918 -3.208 -14.427 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.426 -1.728 -13.638 1.00 0.00 H new ATOM 1287 N SER A 84 16.760 -0.570 -13.924 1.00 0.00 N ATOM 1288 CA SER A 84 17.440 0.712 -13.855 1.00 0.00 C ATOM 1289 C SER A 84 18.820 0.608 -14.508 1.00 0.00 C ATOM 1290 O SER A 84 19.181 1.439 -15.340 1.00 0.00 O ATOM 1291 CB SER A 84 17.573 1.188 -12.407 1.00 0.00 C ATOM 1292 OG SER A 84 16.577 2.148 -12.067 1.00 0.00 O ATOM 0 H SER A 84 16.420 -0.921 -13.029 1.00 0.00 H new ATOM 0 HA SER A 84 16.843 1.445 -14.397 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.496 0.333 -11.736 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.561 1.623 -12.258 1.00 0.00 H new ATOM 0 HG SER A 84 16.695 2.426 -11.135 1.00 0.00 H new ATOM 1298 N GLY A 85 19.553 -0.420 -14.107 1.00 0.00 N ATOM 1299 CA GLY A 85 20.885 -0.643 -14.643 1.00 0.00 C ATOM 1300 C GLY A 85 20.932 -1.923 -15.480 1.00 0.00 C ATOM 1301 O GLY A 85 21.073 -3.018 -14.938 1.00 0.00 O ATOM 0 H GLY A 85 19.250 -1.108 -13.417 1.00 0.00 H new ATOM 0 HA2 GLY A 85 21.181 0.208 -15.256 1.00 0.00 H new ATOM 0 HA3 GLY A 85 21.603 -0.712 -13.826 1.00 0.00 H new ATOM 1305 N PRO A 86 20.808 -1.738 -16.821 1.00 0.00 N ATOM 1306 CA PRO A 86 20.835 -2.865 -17.738 1.00 0.00 C ATOM 1307 C PRO A 86 22.259 -3.399 -17.909 1.00 0.00 C ATOM 1308 O PRO A 86 23.217 -2.628 -17.927 1.00 0.00 O ATOM 1309 CB PRO A 86 20.241 -2.334 -19.032 1.00 0.00 C ATOM 1310 CG PRO A 86 20.333 -0.819 -18.942 1.00 0.00 C ATOM 1311 CD PRO A 86 20.639 -0.456 -17.498 1.00 0.00 C ATOM 0 HA PRO A 86 20.263 -3.718 -17.373 1.00 0.00 H new ATOM 0 HB2 PRO A 86 20.790 -2.708 -19.896 1.00 0.00 H new ATOM 0 HB3 PRO A 86 19.206 -2.656 -19.148 1.00 0.00 H new ATOM 0 HG2 PRO A 86 21.114 -0.444 -19.604 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.397 -0.360 -19.261 1.00 0.00 H new ATOM 0 HD2 PRO A 86 21.541 0.152 -17.425 1.00 0.00 H new ATOM 0 HD3 PRO A 86 19.828 0.122 -17.055 1.00 0.00 H new ATOM 1319 N SER A 87 22.352 -4.715 -18.029 1.00 0.00 N ATOM 1320 CA SER A 87 23.642 -5.362 -18.198 1.00 0.00 C ATOM 1321 C SER A 87 23.446 -6.827 -18.590 1.00 0.00 C ATOM 1322 O SER A 87 23.912 -7.259 -19.644 1.00 0.00 O ATOM 1323 CB SER A 87 24.479 -5.262 -16.921 1.00 0.00 C ATOM 1324 OG SER A 87 25.518 -4.293 -17.038 1.00 0.00 O ATOM 0 H SER A 87 21.555 -5.351 -18.013 1.00 0.00 H new ATOM 0 HA SER A 87 24.180 -4.849 -18.995 1.00 0.00 H new ATOM 0 HB2 SER A 87 23.832 -5.001 -16.083 1.00 0.00 H new ATOM 0 HB3 SER A 87 24.915 -6.235 -16.696 1.00 0.00 H new ATOM 0 HG SER A 87 25.137 -3.438 -17.328 1.00 0.00 H new ATOM 1330 N SER A 88 22.756 -7.552 -17.722 1.00 0.00 N ATOM 1331 CA SER A 88 22.493 -8.960 -17.965 1.00 0.00 C ATOM 1332 C SER A 88 21.712 -9.129 -19.270 1.00 0.00 C ATOM 1333 O SER A 88 21.180 -8.160 -19.809 1.00 0.00 O ATOM 1334 CB SER A 88 21.722 -9.585 -16.801 1.00 0.00 C ATOM 1335 OG SER A 88 21.578 -10.995 -16.951 1.00 0.00 O ATOM 0 H SER A 88 22.371 -7.191 -16.849 1.00 0.00 H new ATOM 0 HA SER A 88 23.449 -9.476 -18.051 1.00 0.00 H new ATOM 0 HB2 SER A 88 22.241 -9.371 -15.866 1.00 0.00 H new ATOM 0 HB3 SER A 88 20.736 -9.125 -16.731 1.00 0.00 H new ATOM 0 HG SER A 88 21.082 -11.356 -16.187 1.00 0.00 H new ATOM 1341 N GLY A 89 21.669 -10.367 -19.740 1.00 0.00 N ATOM 1342 CA GLY A 89 20.963 -10.675 -20.972 1.00 0.00 C ATOM 1343 C GLY A 89 21.727 -10.150 -22.189 1.00 0.00 C ATOM 1344 O GLY A 89 21.520 -9.014 -22.613 1.00 0.00 O ATOM 0 H GLY A 89 22.111 -11.168 -19.290 1.00 0.00 H new ATOM 0 HA2 GLY A 89 20.830 -11.753 -21.059 1.00 0.00 H new ATOM 0 HA3 GLY A 89 19.967 -10.232 -20.945 1.00 0.00 H new TER 1348 GLY A 89