USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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 36 GLN :FLIP amide:sc= -0.476 F(o=-20!,f=-16) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -15.9! C(o=-18!,f=-16!) USER MOD Set 2.1: A 27 GLN : amide:sc= -6.84! C(o=-6.4!,f=-12!) USER MOD Set 2.2: A 32 TYR OH : rot 178:sc= 0.421 USER MOD Set 3.1: A 14 SER OG : rot -100:sc= 0.693 USER MOD Set 3.2: A 17 THR OG1 : rot 80:sc= -2.73! USER MOD Single : A 1 ALA N :NH3+ -167:sc= -0.152 (180deg=-0.44) USER MOD Single : A 4 THR OG1 : rot -74:sc= 1.28 USER MOD Single : A 6 THR OG1 : rot -84:sc= 1.11 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -42:sc= -2.75 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 103:sc= 0.801 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 110:sc= -0.537 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -83:sc= -7.12! USER MOD Single : A 60 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.8!) USER MOD Single : A 62 SER OG : rot 50:sc= 0.0221 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.0184 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 118:sc= 0.774 USER MOD Single : A 72 SER OG : rot 160:sc= -2.19 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 48:sc= -1.03! USER MOD Single : A 89 THR OG1 : rot 41:sc= -2.7! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0646 K(o=-0.065,f=-0.61) USER MOD Single : A 98 SER OG : rot 180:sc= -0.792 USER MOD Single : A 103 ASN : amide:sc=-0.00385 X(o=-0.0039,f=-0.041) USER MOD Single : A 111 SER OG : rot -150:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= 0 F(o=-1.9,f=0) USER MOD Single : A 130 NCZ O2 : rot -109:sc= 0.878 USER MOD Single : A 130 NCZ O5 : rot 4:sc= 0.595 USER MOD Single : A 130 NCZ O6 : rot -5:sc= -0.276! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.851 -8.244 11.838 1.00 0.00 N ATOM 2 CA ALA A 1 -9.582 -8.159 10.414 1.00 0.00 C ATOM 3 C ALA A 1 -8.909 -6.819 10.104 1.00 0.00 C ATOM 4 O ALA A 1 -8.278 -6.663 9.061 1.00 0.00 O ATOM 5 CB ALA A 1 -10.885 -8.349 9.634 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.100 -9.223 12.086 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.004 -7.957 12.369 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.642 -7.613 12.080 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.899 -8.951 10.107 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.682 -8.285 8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.308 -9.327 9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.594 -7.571 9.916 1.00 0.00 H new ATOM 11 N ALA A 2 -9.064 -5.887 11.035 1.00 0.00 N ATOM 12 CA ALA A 2 -8.479 -4.568 10.877 1.00 0.00 C ATOM 13 C ALA A 2 -9.415 -3.698 10.035 1.00 0.00 C ATOM 14 O ALA A 2 -9.959 -4.153 9.031 1.00 0.00 O ATOM 15 CB ALA A 2 -7.089 -4.697 10.253 1.00 0.00 C ATOM 0 H ALA A 2 -9.587 -6.021 11.901 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.359 -4.084 11.846 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.650 -3.706 10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.454 -5.300 10.901 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.171 -5.176 9.278 1.00 0.00 H new ATOM 21 N PRO A 3 -9.581 -2.426 10.490 1.00 0.00 N ATOM 22 CA PRO A 3 -10.443 -1.488 9.792 1.00 0.00 C ATOM 23 C PRO A 3 -9.779 -0.979 8.512 1.00 0.00 C ATOM 24 O PRO A 3 -8.560 -1.074 8.362 1.00 0.00 O ATOM 25 CB PRO A 3 -10.718 -0.382 10.797 1.00 0.00 C ATOM 26 CG PRO A 3 -9.633 -0.502 11.857 1.00 0.00 C ATOM 27 CD PRO A 3 -8.957 -1.851 11.677 1.00 0.00 C ATOM 0 HA PRO A 3 -11.374 -1.944 9.457 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.690 0.597 10.318 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.709 -0.492 11.238 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.908 0.306 11.755 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.063 -0.420 12.855 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.881 -1.739 11.543 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.106 -2.487 12.549 1.00 0.00 H new ATOM 35 N THR A 4 -10.605 -0.454 7.622 1.00 0.00 N ATOM 36 CA THR A 4 -10.111 0.071 6.358 1.00 0.00 C ATOM 37 C THR A 4 -9.379 -1.024 5.578 1.00 0.00 C ATOM 38 O THR A 4 -9.149 -2.115 6.098 1.00 0.00 O ATOM 39 CB THR A 4 -9.236 1.288 6.661 1.00 0.00 C ATOM 40 OG1 THR A 4 -7.914 0.762 6.720 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.478 1.848 8.064 1.00 0.00 C ATOM 0 H THR A 4 -11.614 -0.380 7.749 1.00 0.00 H new ATOM 0 HA THR A 4 -10.930 0.394 5.716 1.00 0.00 H new ATOM 0 HB THR A 4 -9.429 2.065 5.921 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.796 0.266 7.557 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.832 2.710 8.228 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.520 2.152 8.160 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.254 1.081 8.805 1.00 0.00 H new ATOM 49 N ALA A 5 -9.033 -0.694 4.342 1.00 0.00 N ATOM 50 CA ALA A 5 -8.332 -1.634 3.486 1.00 0.00 C ATOM 51 C ALA A 5 -7.130 -2.205 4.239 1.00 0.00 C ATOM 52 O ALA A 5 -6.250 -1.461 4.668 1.00 0.00 O ATOM 53 CB ALA A 5 -7.927 -0.937 2.185 1.00 0.00 C ATOM 0 H ALA A 5 -9.225 0.211 3.914 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.981 -2.468 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.401 -1.643 1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.819 -0.576 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.273 -0.095 2.412 1.00 0.00 H new ATOM 59 N THR A 6 -7.131 -3.524 4.376 1.00 0.00 N ATOM 60 CA THR A 6 -6.050 -4.204 5.071 1.00 0.00 C ATOM 61 C THR A 6 -5.760 -5.554 4.412 1.00 0.00 C ATOM 62 O THR A 6 -6.666 -6.198 3.882 1.00 0.00 O ATOM 63 CB THR A 6 -6.435 -4.320 6.546 1.00 0.00 C ATOM 64 OG1 THR A 6 -7.850 -4.505 6.524 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.245 -3.005 7.305 1.00 0.00 C ATOM 0 H THR A 6 -7.862 -4.139 4.018 1.00 0.00 H new ATOM 0 HA THR A 6 -5.121 -3.638 5.006 1.00 0.00 H new ATOM 0 HB THR A 6 -5.838 -5.102 7.016 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.293 -3.633 6.469 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.533 -3.142 8.347 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.199 -2.703 7.254 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.868 -2.232 6.855 1.00 0.00 H new ATOM 73 N VAL A 7 -4.495 -5.944 4.465 1.00 0.00 N ATOM 74 CA VAL A 7 -4.075 -7.206 3.880 1.00 0.00 C ATOM 75 C VAL A 7 -4.513 -8.355 4.789 1.00 0.00 C ATOM 76 O VAL A 7 -3.936 -8.564 5.854 1.00 0.00 O ATOM 77 CB VAL A 7 -2.565 -7.186 3.628 1.00 0.00 C ATOM 78 CG1 VAL A 7 -1.999 -8.607 3.588 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.235 -6.429 2.338 1.00 0.00 C ATOM 0 H VAL A 7 -3.747 -5.408 4.904 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.553 -7.357 2.912 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.093 -6.659 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.925 -8.566 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.188 -9.101 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.480 -9.168 2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.156 -6.429 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.724 -6.917 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.590 -5.401 2.418 1.00 0.00 H new ATOM 89 N THR A 8 -5.530 -9.072 4.334 1.00 0.00 N ATOM 90 CA THR A 8 -6.053 -10.195 5.092 1.00 0.00 C ATOM 91 C THR A 8 -4.918 -10.929 5.810 1.00 0.00 C ATOM 92 O THR A 8 -4.887 -10.979 7.038 1.00 0.00 O ATOM 93 CB THR A 8 -6.842 -11.088 4.132 1.00 0.00 C ATOM 94 OG1 THR A 8 -8.202 -10.758 4.390 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.742 -12.570 4.493 1.00 0.00 C ATOM 0 H THR A 8 -6.006 -8.897 3.449 1.00 0.00 H new ATOM 0 HA THR A 8 -6.730 -9.860 5.878 1.00 0.00 H new ATOM 0 HB THR A 8 -6.478 -10.938 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.784 -11.291 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.320 -13.158 3.780 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.698 -12.883 4.460 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.136 -12.727 5.497 1.00 0.00 H new ATOM 103 N PRO A 9 -3.991 -11.494 4.990 1.00 0.00 N ATOM 104 CA PRO A 9 -2.858 -12.221 5.535 1.00 0.00 C ATOM 105 C PRO A 9 -1.815 -11.260 6.113 1.00 0.00 C ATOM 106 O PRO A 9 -2.125 -10.110 6.412 1.00 0.00 O ATOM 107 CB PRO A 9 -2.325 -13.046 4.374 1.00 0.00 C ATOM 108 CG PRO A 9 -2.885 -12.403 3.115 1.00 0.00 C ATOM 109 CD PRO A 9 -3.995 -11.452 3.533 1.00 0.00 C ATOM 0 HA PRO A 9 -3.134 -12.864 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.235 -13.045 4.362 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.642 -14.086 4.456 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.102 -11.865 2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.270 -13.164 2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.810 -10.442 3.166 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.958 -11.766 3.131 1.00 0.00 H new ATOM 117 N SER A 10 -0.600 -11.772 6.252 1.00 0.00 N ATOM 118 CA SER A 10 0.490 -10.974 6.791 1.00 0.00 C ATOM 119 C SER A 10 1.226 -10.262 5.652 1.00 0.00 C ATOM 120 O SER A 10 1.400 -9.045 5.688 1.00 0.00 O ATOM 121 CB SER A 10 1.462 -11.841 7.592 1.00 0.00 C ATOM 122 OG SER A 10 0.810 -12.538 8.650 1.00 0.00 O ATOM 0 H SER A 10 -0.346 -12.728 6.001 1.00 0.00 H new ATOM 0 HA SER A 10 0.070 -10.229 7.467 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.940 -12.559 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.252 -11.213 8.004 1.00 0.00 H new ATOM 0 HG SER A 10 1.465 -13.081 9.136 1.00 0.00 H new ATOM 128 N SER A 11 1.638 -11.052 4.672 1.00 0.00 N ATOM 129 CA SER A 11 2.354 -10.513 3.528 1.00 0.00 C ATOM 130 C SER A 11 3.520 -9.643 4.001 1.00 0.00 C ATOM 131 O SER A 11 3.674 -9.403 5.197 1.00 0.00 O ATOM 132 CB SER A 11 1.419 -9.702 2.628 1.00 0.00 C ATOM 133 OG SER A 11 1.341 -8.337 3.029 1.00 0.00 O ATOM 0 H SER A 11 1.490 -12.061 4.646 1.00 0.00 H new ATOM 0 HA SER A 11 2.745 -11.347 2.945 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.770 -9.757 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.423 -10.143 2.649 1.00 0.00 H new ATOM 0 HG SER A 11 1.278 -8.286 4.006 1.00 0.00 H new ATOM 139 N GLY A 12 4.312 -9.195 3.037 1.00 0.00 N ATOM 140 CA GLY A 12 5.460 -8.357 3.340 1.00 0.00 C ATOM 141 C GLY A 12 6.754 -9.174 3.320 1.00 0.00 C ATOM 142 O GLY A 12 7.707 -8.816 2.631 1.00 0.00 O ATOM 0 H GLY A 12 4.181 -9.397 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.526 -7.547 2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.331 -7.897 4.320 1.00 0.00 H new ATOM 146 N LEU A 13 6.745 -10.255 4.087 1.00 0.00 N ATOM 147 CA LEU A 13 7.906 -11.125 4.166 1.00 0.00 C ATOM 148 C LEU A 13 8.021 -11.934 2.872 1.00 0.00 C ATOM 149 O LEU A 13 9.019 -12.617 2.650 1.00 0.00 O ATOM 150 CB LEU A 13 7.844 -11.986 5.428 1.00 0.00 C ATOM 151 CG LEU A 13 7.795 -11.229 6.757 1.00 0.00 C ATOM 152 CD1 LEU A 13 6.434 -11.402 7.435 1.00 0.00 C ATOM 153 CD2 LEU A 13 8.949 -11.645 7.670 1.00 0.00 C ATOM 0 H LEU A 13 5.953 -10.548 4.659 1.00 0.00 H new ATOM 0 HA LEU A 13 8.819 -10.536 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.963 -12.625 5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.714 -12.642 5.439 1.00 0.00 H new ATOM 0 HG LEU A 13 7.919 -10.166 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.425 -10.855 8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.651 -11.015 6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.256 -12.460 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.889 -11.091 8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.884 -12.714 7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.898 -11.427 7.180 1.00 0.00 H new ATOM 165 N SER A 14 6.985 -11.832 2.054 1.00 0.00 N ATOM 166 CA SER A 14 6.957 -12.547 0.790 1.00 0.00 C ATOM 167 C SER A 14 6.616 -11.582 -0.349 1.00 0.00 C ATOM 168 O SER A 14 5.448 -11.399 -0.684 1.00 0.00 O ATOM 169 CB SER A 14 5.949 -13.696 0.830 1.00 0.00 C ATOM 170 OG SER A 14 5.893 -14.401 -0.410 1.00 0.00 O ATOM 0 H SER A 14 6.158 -11.265 2.242 1.00 0.00 H new ATOM 0 HA SER A 14 7.945 -12.972 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.219 -14.387 1.628 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.961 -13.303 1.069 1.00 0.00 H new ATOM 0 HG SER A 14 5.114 -14.100 -0.923 1.00 0.00 H new ATOM 176 N ASP A 15 7.661 -10.991 -0.912 1.00 0.00 N ATOM 177 CA ASP A 15 7.487 -10.049 -2.005 1.00 0.00 C ATOM 178 C ASP A 15 6.884 -10.778 -3.208 1.00 0.00 C ATOM 179 O ASP A 15 7.562 -11.559 -3.872 1.00 0.00 O ATOM 180 CB ASP A 15 8.830 -9.456 -2.438 1.00 0.00 C ATOM 181 CG ASP A 15 9.988 -10.453 -2.504 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.806 -10.435 -1.559 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.027 -11.212 -3.499 1.00 0.00 O ATOM 0 H ASP A 15 8.629 -11.146 -0.632 1.00 0.00 H new ATOM 0 HA ASP A 15 6.832 -9.249 -1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.708 -8.999 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.097 -8.658 -1.746 1.00 0.00 H new ATOM 189 N GLY A 16 5.611 -10.494 -3.453 1.00 0.00 N ATOM 190 CA GLY A 16 4.907 -11.112 -4.563 1.00 0.00 C ATOM 191 C GLY A 16 3.765 -11.999 -4.064 1.00 0.00 C ATOM 192 O GLY A 16 3.282 -12.863 -4.792 1.00 0.00 O ATOM 0 H GLY A 16 5.051 -9.844 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.511 -10.339 -5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.603 -11.708 -5.153 1.00 0.00 H new ATOM 196 N THR A 17 3.367 -11.752 -2.824 1.00 0.00 N ATOM 197 CA THR A 17 2.291 -12.516 -2.220 1.00 0.00 C ATOM 198 C THR A 17 0.942 -11.847 -2.489 1.00 0.00 C ATOM 199 O THR A 17 0.715 -10.708 -2.077 1.00 0.00 O ATOM 200 CB THR A 17 2.602 -12.674 -0.730 1.00 0.00 C ATOM 201 OG1 THR A 17 3.924 -13.203 -0.706 1.00 0.00 O ATOM 202 CG2 THR A 17 1.754 -13.761 -0.064 1.00 0.00 C ATOM 0 H THR A 17 3.771 -11.034 -2.223 1.00 0.00 H new ATOM 0 HA THR A 17 2.219 -13.510 -2.661 1.00 0.00 H new ATOM 0 HB THR A 17 2.436 -11.724 -0.223 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.569 -12.478 -0.842 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.016 -13.831 0.992 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.698 -13.509 -0.160 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.944 -14.719 -0.549 1.00 0.00 H new ATOM 210 N VAL A 18 0.081 -12.579 -3.180 1.00 0.00 N ATOM 211 CA VAL A 18 -1.240 -12.068 -3.511 1.00 0.00 C ATOM 212 C VAL A 18 -2.132 -12.133 -2.270 1.00 0.00 C ATOM 213 O VAL A 18 -2.365 -13.210 -1.725 1.00 0.00 O ATOM 214 CB VAL A 18 -1.813 -12.837 -4.703 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.797 -11.970 -5.491 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.696 -13.362 -5.607 1.00 0.00 C ATOM 0 H VAL A 18 0.271 -13.522 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.182 -11.023 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.360 -13.697 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.190 -12.540 -6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.619 -11.670 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.284 -11.082 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.132 -13.905 -6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.108 -12.525 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.051 -14.032 -5.037 1.00 0.00 H new ATOM 226 N VAL A 19 -2.608 -10.967 -1.861 1.00 0.00 N ATOM 227 CA VAL A 19 -3.469 -10.877 -0.694 1.00 0.00 C ATOM 228 C VAL A 19 -4.748 -10.124 -1.067 1.00 0.00 C ATOM 229 O VAL A 19 -4.873 -9.620 -2.182 1.00 0.00 O ATOM 230 CB VAL A 19 -2.712 -10.231 0.468 1.00 0.00 C ATOM 231 CG1 VAL A 19 -1.227 -10.593 0.423 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.907 -8.714 0.471 1.00 0.00 C ATOM 0 H VAL A 19 -2.414 -10.076 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.763 -11.872 -0.359 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.124 -10.624 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.712 -10.121 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.114 -11.675 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.795 -10.241 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.359 -8.278 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.534 -8.297 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.967 -8.484 0.573 1.00 0.00 H new ATOM 242 N LYS A 20 -5.667 -10.076 -0.114 1.00 0.00 N ATOM 243 CA LYS A 20 -6.933 -9.395 -0.327 1.00 0.00 C ATOM 244 C LYS A 20 -7.009 -8.171 0.587 1.00 0.00 C ATOM 245 O LYS A 20 -7.045 -8.307 1.808 1.00 0.00 O ATOM 246 CB LYS A 20 -8.101 -10.365 -0.154 1.00 0.00 C ATOM 247 CG LYS A 20 -9.252 -10.012 -1.098 1.00 0.00 C ATOM 248 CD LYS A 20 -10.518 -10.794 -0.737 1.00 0.00 C ATOM 249 CE LYS A 20 -11.694 -10.372 -1.618 1.00 0.00 C ATOM 250 NZ LYS A 20 -11.906 -11.353 -2.706 1.00 0.00 N ATOM 0 H LYS A 20 -5.560 -10.498 0.808 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.001 -9.032 -1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.765 -11.383 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.451 -10.338 0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.454 -8.942 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.965 -10.233 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.336 -11.862 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.766 -10.627 0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.597 -10.290 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.503 -9.386 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.708 -11.051 -3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.049 -11.412 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.110 -12.287 -2.296 1.00 0.00 H new ATOM 264 N VAL A 21 -7.031 -7.002 -0.039 1.00 0.00 N ATOM 265 CA VAL A 21 -7.102 -5.756 0.704 1.00 0.00 C ATOM 266 C VAL A 21 -8.569 -5.398 0.951 1.00 0.00 C ATOM 267 O VAL A 21 -9.191 -4.720 0.133 1.00 0.00 O ATOM 268 CB VAL A 21 -6.335 -4.660 -0.038 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.735 -3.273 0.468 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.824 -4.873 0.080 1.00 0.00 C ATOM 0 H VAL A 21 -7.001 -6.893 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.625 -5.864 1.678 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.600 -4.720 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.175 -2.512 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.803 -3.121 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.513 -3.196 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.302 -4.080 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.535 -4.852 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.558 -5.838 -0.350 1.00 0.00 H new ATOM 280 N ALA A 22 -9.079 -5.868 2.078 1.00 0.00 N ATOM 281 CA ALA A 22 -10.461 -5.606 2.443 1.00 0.00 C ATOM 282 C ALA A 22 -10.511 -4.444 3.437 1.00 0.00 C ATOM 283 O ALA A 22 -9.826 -4.468 4.459 1.00 0.00 O ATOM 284 CB ALA A 22 -11.093 -6.882 3.005 1.00 0.00 C ATOM 0 H ALA A 22 -8.560 -6.430 2.752 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.040 -5.315 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.129 -6.685 3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.060 -7.667 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.540 -7.204 3.887 1.00 0.00 H new ATOM 290 N GLY A 23 -11.324 -3.454 3.102 1.00 0.00 N ATOM 291 CA GLY A 23 -11.472 -2.286 3.953 1.00 0.00 C ATOM 292 C GLY A 23 -12.950 -1.953 4.178 1.00 0.00 C ATOM 293 O GLY A 23 -13.618 -1.447 3.279 1.00 0.00 O ATOM 0 H GLY A 23 -11.888 -3.436 2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.986 -2.467 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.969 -1.433 3.497 1.00 0.00 H new ATOM 297 N ALA A 24 -13.415 -2.251 5.381 1.00 0.00 N ATOM 298 CA ALA A 24 -14.799 -1.990 5.734 1.00 0.00 C ATOM 299 C ALA A 24 -14.914 -0.583 6.326 1.00 0.00 C ATOM 300 O ALA A 24 -14.461 -0.339 7.444 1.00 0.00 O ATOM 301 CB ALA A 24 -15.294 -3.070 6.699 1.00 0.00 C ATOM 0 H ALA A 24 -12.857 -2.671 6.125 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.433 -2.029 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.333 -2.873 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.220 -4.047 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.682 -3.060 7.601 1.00 0.00 H new ATOM 307 N GLY A 25 -15.520 0.304 5.551 1.00 0.00 N ATOM 308 CA GLY A 25 -15.698 1.679 5.984 1.00 0.00 C ATOM 309 C GLY A 25 -14.440 2.507 5.716 1.00 0.00 C ATOM 310 O GLY A 25 -14.073 3.364 6.519 1.00 0.00 O ATOM 0 H GLY A 25 -15.894 0.097 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.546 2.121 5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.932 1.701 7.048 1.00 0.00 H new ATOM 314 N LEU A 26 -13.814 2.222 4.583 1.00 0.00 N ATOM 315 CA LEU A 26 -12.606 2.930 4.199 1.00 0.00 C ATOM 316 C LEU A 26 -12.974 4.330 3.704 1.00 0.00 C ATOM 317 O LEU A 26 -13.078 5.264 4.496 1.00 0.00 O ATOM 318 CB LEU A 26 -11.806 2.111 3.184 1.00 0.00 C ATOM 319 CG LEU A 26 -10.313 2.436 3.087 1.00 0.00 C ATOM 320 CD1 LEU A 26 -9.681 1.757 1.870 1.00 0.00 C ATOM 321 CD2 LEU A 26 -10.080 3.948 3.083 1.00 0.00 C ATOM 0 H LEU A 26 -14.121 1.511 3.920 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.951 3.059 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.912 1.055 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.253 2.252 2.200 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.819 2.035 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.620 2.005 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.798 0.677 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.174 2.105 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.011 4.151 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.590 4.393 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.472 4.379 4.004 1.00 0.00 H new ATOM 333 N GLN A 27 -13.162 4.430 2.397 1.00 0.00 N ATOM 334 CA GLN A 27 -13.517 5.702 1.787 1.00 0.00 C ATOM 335 C GLN A 27 -15.040 5.841 1.702 1.00 0.00 C ATOM 336 O GLN A 27 -15.550 6.649 0.927 1.00 0.00 O ATOM 337 CB GLN A 27 -12.876 5.846 0.406 1.00 0.00 C ATOM 338 CG GLN A 27 -11.363 6.035 0.522 1.00 0.00 C ATOM 339 CD GLN A 27 -11.012 6.933 1.710 1.00 0.00 C ATOM 340 OE1 GLN A 27 -10.299 6.546 2.624 1.00 0.00 O ATOM 341 NE2 GLN A 27 -11.548 8.148 1.647 1.00 0.00 N ATOM 0 H GLN A 27 -13.076 3.652 1.743 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.131 6.505 2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.091 4.961 -0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.314 6.697 -0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.880 5.065 0.639 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.976 6.475 -0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.135 8.406 0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.372 8.822 2.392 1.00 0.00 H new ATOM 350 N ALA A 28 -15.722 5.042 2.509 1.00 0.00 N ATOM 351 CA ALA A 28 -17.174 5.066 2.533 1.00 0.00 C ATOM 352 C ALA A 28 -17.714 4.337 1.301 1.00 0.00 C ATOM 353 O ALA A 28 -18.907 4.049 1.220 1.00 0.00 O ATOM 354 CB ALA A 28 -17.658 6.516 2.613 1.00 0.00 C ATOM 0 H ALA A 28 -15.296 4.374 3.151 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.552 4.546 3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.748 6.535 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.272 6.979 3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.300 7.068 1.744 1.00 0.00 H new ATOM 360 N GLY A 29 -16.810 4.060 0.373 1.00 0.00 N ATOM 361 CA GLY A 29 -17.180 3.371 -0.849 1.00 0.00 C ATOM 362 C GLY A 29 -16.727 4.157 -2.082 1.00 0.00 C ATOM 363 O GLY A 29 -16.986 3.750 -3.213 1.00 0.00 O ATOM 0 H GLY A 29 -15.821 4.301 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.730 2.378 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.261 3.232 -0.879 1.00 0.00 H new ATOM 367 N THR A 30 -16.059 5.272 -1.819 1.00 0.00 N ATOM 368 CA THR A 30 -15.567 6.118 -2.894 1.00 0.00 C ATOM 369 C THR A 30 -14.636 5.327 -3.814 1.00 0.00 C ATOM 370 O THR A 30 -14.727 4.101 -3.890 1.00 0.00 O ATOM 371 CB THR A 30 -14.899 7.341 -2.262 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.742 7.667 -1.159 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.971 8.577 -3.161 1.00 0.00 C ATOM 0 H THR A 30 -15.848 5.608 -0.880 1.00 0.00 H new ATOM 0 HA THR A 30 -16.382 6.464 -3.529 1.00 0.00 H new ATOM 0 HB THR A 30 -13.857 7.111 -2.042 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.328 7.354 -0.327 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.483 9.416 -2.666 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.467 8.370 -4.105 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.014 8.827 -3.354 1.00 0.00 H new ATOM 381 N ALA A 31 -13.763 6.057 -4.490 1.00 0.00 N ATOM 382 CA ALA A 31 -12.817 5.439 -5.404 1.00 0.00 C ATOM 383 C ALA A 31 -11.425 6.031 -5.168 1.00 0.00 C ATOM 384 O ALA A 31 -11.189 7.204 -5.453 1.00 0.00 O ATOM 385 CB ALA A 31 -13.294 5.633 -6.844 1.00 0.00 C ATOM 0 H ALA A 31 -13.690 7.072 -4.424 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.756 4.366 -5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.584 5.169 -7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.273 5.170 -6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.366 6.698 -7.063 1.00 0.00 H new ATOM 391 N TYR A 32 -10.541 5.192 -4.648 1.00 0.00 N ATOM 392 CA TYR A 32 -9.180 5.617 -4.370 1.00 0.00 C ATOM 393 C TYR A 32 -8.169 4.726 -5.095 1.00 0.00 C ATOM 394 O TYR A 32 -8.527 3.676 -5.623 1.00 0.00 O ATOM 395 CB TYR A 32 -8.989 5.460 -2.860 1.00 0.00 C ATOM 396 CG TYR A 32 -9.326 6.717 -2.056 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.404 7.499 -2.417 1.00 0.00 C ATOM 398 CD2 TYR A 32 -8.551 7.071 -0.971 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.720 8.682 -1.662 1.00 0.00 C ATOM 400 CE2 TYR A 32 -8.869 8.253 -0.213 1.00 0.00 C ATOM 401 CZ TYR A 32 -9.937 9.002 -0.597 1.00 0.00 C ATOM 402 OH TYR A 32 -10.237 10.119 0.118 1.00 0.00 O ATOM 0 H TYR A 32 -10.741 4.220 -4.412 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.021 6.641 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.613 4.638 -2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.954 5.181 -2.662 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.011 7.223 -3.267 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.705 6.461 -0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.561 9.303 -1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.273 8.538 0.641 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.613 10.204 0.869 1.00 0.00 H new ATOM 412 N ASP A 33 -6.924 5.180 -5.098 1.00 0.00 N ATOM 413 CA ASP A 33 -5.858 4.438 -5.751 1.00 0.00 C ATOM 414 C ASP A 33 -5.208 3.492 -4.738 1.00 0.00 C ATOM 415 O ASP A 33 -4.613 3.938 -3.759 1.00 0.00 O ATOM 416 CB ASP A 33 -4.774 5.379 -6.279 1.00 0.00 C ATOM 417 CG ASP A 33 -4.789 5.594 -7.794 1.00 0.00 C ATOM 418 OD1 ASP A 33 -4.954 4.583 -8.507 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.633 6.765 -8.204 1.00 0.00 O ATOM 0 H ASP A 33 -6.629 6.052 -4.659 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.293 3.886 -6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.883 6.346 -5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.799 4.984 -5.992 1.00 0.00 H new ATOM 425 N VAL A 34 -5.345 2.203 -5.007 1.00 0.00 N ATOM 426 CA VAL A 34 -4.778 1.190 -4.135 1.00 0.00 C ATOM 427 C VAL A 34 -3.282 1.054 -4.420 1.00 0.00 C ATOM 428 O VAL A 34 -2.856 1.131 -5.571 1.00 0.00 O ATOM 429 CB VAL A 34 -5.540 -0.127 -4.298 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.612 -1.240 -4.794 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.224 -0.529 -2.989 1.00 0.00 C ATOM 0 H VAL A 34 -5.842 1.836 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.883 1.484 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.314 0.025 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.178 -2.165 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.190 -0.959 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.806 -1.389 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.759 -1.468 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.473 -0.654 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.928 0.248 -2.693 1.00 0.00 H new ATOM 441 N GLY A 35 -2.523 0.857 -3.351 1.00 0.00 N ATOM 442 CA GLY A 35 -1.083 0.709 -3.473 1.00 0.00 C ATOM 443 C GLY A 35 -0.408 0.770 -2.100 1.00 0.00 C ATOM 444 O GLY A 35 -0.955 1.343 -1.161 1.00 0.00 O ATOM 0 H GLY A 35 -2.879 0.797 -2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.851 -0.241 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.686 1.497 -4.113 1.00 0.00 H new ATOM 448 N GLN A 36 0.771 0.169 -2.030 1.00 0.00 N ATOM 449 CA GLN A 36 1.526 0.148 -0.790 1.00 0.00 C ATOM 450 C GLN A 36 2.525 1.306 -0.756 1.00 0.00 C ATOM 451 O GLN A 36 3.608 1.213 -1.330 1.00 0.00 O ATOM 452 CB GLN A 36 2.237 -1.194 -0.603 1.00 0.00 C ATOM 453 CG GLN A 36 1.526 -2.304 -1.382 1.00 0.00 C ATOM 454 CD GLN A 36 2.502 -3.037 -2.305 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.136 -2.243 -3.164 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 2.668 -4.244 -2.242 1.00 0.00 N flip ATOM 0 H GLN A 36 1.221 -0.307 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 36 0.828 0.271 0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.270 -1.112 -0.940 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.267 -1.450 0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.077 -3.012 -0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.714 -1.877 -1.971 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.149 -4.795 -1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.326 -4.702 -2.873 1.00 0.00 H new ATOM 465 N CYS A 37 2.125 2.372 -0.076 1.00 0.00 N ATOM 466 CA CYS A 37 2.972 3.547 0.040 1.00 0.00 C ATOM 467 C CYS A 37 3.526 3.599 1.465 1.00 0.00 C ATOM 468 O CYS A 37 2.920 3.062 2.390 1.00 0.00 O ATOM 469 CB CYS A 37 2.218 4.825 -0.327 1.00 0.00 C ATOM 470 SG CYS A 37 3.284 6.254 -0.742 1.00 0.00 S ATOM 0 H CYS A 37 1.226 2.446 0.400 1.00 0.00 H new ATOM 0 HA CYS A 37 3.798 3.476 -0.668 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.569 4.615 -1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.573 5.101 0.507 1.00 0.00 H new ATOM 475 N ALA A 38 4.671 4.254 1.595 1.00 0.00 N ATOM 476 CA ALA A 38 5.315 4.385 2.892 1.00 0.00 C ATOM 477 C ALA A 38 6.587 5.222 2.743 1.00 0.00 C ATOM 478 O ALA A 38 7.033 5.485 1.629 1.00 0.00 O ATOM 479 CB ALA A 38 5.594 2.994 3.466 1.00 0.00 C ATOM 0 H ALA A 38 5.169 4.699 0.824 1.00 0.00 H new ATOM 0 HA ALA A 38 4.662 4.902 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.077 3.092 4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.655 2.452 3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.249 2.446 2.789 1.00 0.00 H new ATOM 485 N TRP A 39 7.134 5.615 3.883 1.00 0.00 N ATOM 486 CA TRP A 39 8.346 6.417 3.894 1.00 0.00 C ATOM 487 C TRP A 39 9.522 5.497 3.564 1.00 0.00 C ATOM 488 O TRP A 39 9.960 4.714 4.405 1.00 0.00 O ATOM 489 CB TRP A 39 8.511 7.142 5.231 1.00 0.00 C ATOM 490 CG TRP A 39 8.576 6.209 6.442 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.562 5.762 7.194 1.00 0.00 C ATOM 492 CD2 TRP A 39 9.766 5.622 7.013 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.007 4.932 8.204 1.00 0.00 N ATOM 494 CE2 TRP A 39 9.390 4.845 8.091 1.00 0.00 C ATOM 495 CE3 TRP A 39 11.113 5.745 6.632 1.00 0.00 C ATOM 496 CZ2 TRP A 39 10.303 4.131 8.875 1.00 0.00 C ATOM 497 CZ3 TRP A 39 12.013 5.024 7.426 1.00 0.00 C ATOM 498 CH2 TRP A 39 11.653 4.237 8.515 1.00 0.00 C ATOM 0 H TRP A 39 6.761 5.393 4.806 1.00 0.00 H new ATOM 0 HA TRP A 39 8.296 7.204 3.141 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.421 7.741 5.198 1.00 0.00 H new ATOM 0 HB3 TRP A 39 7.679 7.834 5.363 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.526 6.019 7.031 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.428 4.468 8.904 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.429 6.348 5.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.984 3.530 9.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.062 5.083 7.175 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.409 3.711 9.079 1.00 0.00 H new ATOM 509 N VAL A 40 10.003 5.623 2.334 1.00 0.00 N ATOM 510 CA VAL A 40 11.121 4.815 1.881 1.00 0.00 C ATOM 511 C VAL A 40 12.425 5.584 2.103 1.00 0.00 C ATOM 512 O VAL A 40 13.378 5.047 2.666 1.00 0.00 O ATOM 513 CB VAL A 40 10.911 4.403 0.422 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.577 5.398 -0.529 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.422 2.982 0.175 1.00 0.00 C ATOM 0 H VAL A 40 9.638 6.273 1.638 1.00 0.00 H new ATOM 0 HA VAL A 40 11.185 3.894 2.460 1.00 0.00 H new ATOM 0 HB VAL A 40 9.840 4.413 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.413 5.082 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.146 6.388 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.647 5.434 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.261 2.714 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.487 2.934 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.883 2.285 0.816 1.00 0.00 H new ATOM 525 N ASP A 41 12.425 6.829 1.650 1.00 0.00 N ATOM 526 CA ASP A 41 13.595 7.677 1.793 1.00 0.00 C ATOM 527 C ASP A 41 13.559 8.365 3.158 1.00 0.00 C ATOM 528 O ASP A 41 12.690 8.076 3.980 1.00 0.00 O ATOM 529 CB ASP A 41 13.625 8.762 0.716 1.00 0.00 C ATOM 530 CG ASP A 41 14.850 8.737 -0.199 1.00 0.00 C ATOM 531 OD1 ASP A 41 14.809 9.448 -1.224 1.00 0.00 O ATOM 532 OD2 ASP A 41 15.801 8.003 0.150 1.00 0.00 O ATOM 0 H ASP A 41 11.633 7.271 1.184 1.00 0.00 H new ATOM 0 HA ASP A 41 14.480 7.048 1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.730 8.666 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.575 9.736 1.203 1.00 0.00 H new ATOM 538 N THR A 42 14.511 9.266 3.359 1.00 0.00 N ATOM 539 CA THR A 42 14.598 9.997 4.611 1.00 0.00 C ATOM 540 C THR A 42 13.253 10.645 4.944 1.00 0.00 C ATOM 541 O THR A 42 13.006 11.794 4.577 1.00 0.00 O ATOM 542 CB THR A 42 15.745 11.003 4.492 1.00 0.00 C ATOM 543 OG1 THR A 42 16.918 10.210 4.657 1.00 0.00 O ATOM 544 CG2 THR A 42 15.790 11.981 5.666 1.00 0.00 C ATOM 0 H THR A 42 15.229 9.506 2.675 1.00 0.00 H new ATOM 0 HA THR A 42 14.817 9.330 5.445 1.00 0.00 H new ATOM 0 HB THR A 42 15.645 11.559 3.560 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.711 10.782 4.592 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.622 12.672 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.856 12.541 5.709 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.924 11.428 6.595 1.00 0.00 H new ATOM 552 N GLY A 43 12.418 9.882 5.633 1.00 0.00 N ATOM 553 CA GLY A 43 11.105 10.368 6.019 1.00 0.00 C ATOM 554 C GLY A 43 10.313 10.839 4.798 1.00 0.00 C ATOM 555 O GLY A 43 9.380 11.631 4.924 1.00 0.00 O ATOM 0 H GLY A 43 12.626 8.930 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.556 9.577 6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.211 11.190 6.727 1.00 0.00 H new ATOM 559 N VAL A 44 10.715 10.334 3.641 1.00 0.00 N ATOM 560 CA VAL A 44 10.057 10.693 2.398 1.00 0.00 C ATOM 561 C VAL A 44 9.032 9.614 2.038 1.00 0.00 C ATOM 562 O VAL A 44 9.393 8.459 1.814 1.00 0.00 O ATOM 563 CB VAL A 44 11.098 10.918 1.298 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.429 11.339 -0.012 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.143 11.945 1.736 1.00 0.00 C ATOM 0 H VAL A 44 11.490 9.678 3.539 1.00 0.00 H new ATOM 0 HA VAL A 44 9.516 11.632 2.511 1.00 0.00 H new ATOM 0 HB VAL A 44 11.611 9.972 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.191 11.492 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.741 10.558 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.878 12.267 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.871 12.087 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.652 12.894 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.652 11.587 2.631 1.00 0.00 H new ATOM 575 N LEU A 45 7.776 10.029 1.992 1.00 0.00 N ATOM 576 CA LEU A 45 6.696 9.112 1.663 1.00 0.00 C ATOM 577 C LEU A 45 6.809 8.705 0.193 1.00 0.00 C ATOM 578 O LEU A 45 6.390 9.447 -0.694 1.00 0.00 O ATOM 579 CB LEU A 45 5.343 9.725 2.029 1.00 0.00 C ATOM 580 CG LEU A 45 4.864 9.488 3.464 1.00 0.00 C ATOM 581 CD1 LEU A 45 3.742 10.459 3.836 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.452 8.029 3.668 1.00 0.00 C ATOM 0 H LEU A 45 7.480 10.988 2.177 1.00 0.00 H new ATOM 0 HA LEU A 45 6.777 8.200 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.395 10.800 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.591 9.330 1.346 1.00 0.00 H new ATOM 0 HG LEU A 45 5.696 9.686 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.421 10.269 4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.105 11.483 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.899 10.318 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.116 7.886 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.641 7.781 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.305 7.379 3.472 1.00 0.00 H new ATOM 594 N ALA A 46 7.376 7.528 -0.019 1.00 0.00 N ATOM 595 CA ALA A 46 7.549 7.011 -1.367 1.00 0.00 C ATOM 596 C ALA A 46 6.636 5.799 -1.567 1.00 0.00 C ATOM 597 O ALA A 46 6.511 4.960 -0.676 1.00 0.00 O ATOM 598 CB ALA A 46 9.024 6.677 -1.601 1.00 0.00 C ATOM 0 H ALA A 46 7.722 6.916 0.720 1.00 0.00 H new ATOM 0 HA ALA A 46 7.264 7.761 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.153 6.289 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.625 7.578 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.346 5.925 -0.880 1.00 0.00 H new ATOM 604 N CYS A 47 6.023 5.748 -2.739 1.00 0.00 N ATOM 605 CA CYS A 47 5.125 4.653 -3.067 1.00 0.00 C ATOM 606 C CYS A 47 5.838 3.725 -4.052 1.00 0.00 C ATOM 607 O CYS A 47 6.704 4.163 -4.808 1.00 0.00 O ATOM 608 CB CYS A 47 3.794 5.159 -3.624 1.00 0.00 C ATOM 609 SG CYS A 47 3.147 6.667 -2.813 1.00 0.00 S ATOM 0 H CYS A 47 6.130 6.447 -3.474 1.00 0.00 H new ATOM 0 HA CYS A 47 4.878 4.100 -2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.914 5.359 -4.689 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.052 4.366 -3.530 1.00 0.00 H new ATOM 614 N ASN A 48 5.449 2.458 -4.011 1.00 0.00 N ATOM 615 CA ASN A 48 6.041 1.465 -4.892 1.00 0.00 C ATOM 616 C ASN A 48 5.436 1.603 -6.290 1.00 0.00 C ATOM 617 O ASN A 48 4.469 2.340 -6.481 1.00 0.00 O ATOM 618 CB ASN A 48 5.760 0.048 -4.390 1.00 0.00 C ATOM 619 CG ASN A 48 5.659 0.016 -2.864 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.450 0.892 -2.251 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 4.914 -0.754 -2.281 1.00 0.00 N flip ATOM 0 H ASN A 48 4.732 2.097 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 48 7.118 1.632 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.831 -0.319 -4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.554 -0.622 -4.719 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.333 -1.402 -2.813 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.872 -0.750 -1.262 1.00 0.00 H new ATOM 628 N PRO A 49 6.043 0.863 -7.254 1.00 0.00 N ATOM 629 CA PRO A 49 5.574 0.895 -8.629 1.00 0.00 C ATOM 630 C PRO A 49 4.279 0.097 -8.786 1.00 0.00 C ATOM 631 O PRO A 49 3.614 0.181 -9.816 1.00 0.00 O ATOM 632 CB PRO A 49 6.723 0.330 -9.451 1.00 0.00 C ATOM 633 CG PRO A 49 7.605 -0.425 -8.468 1.00 0.00 C ATOM 634 CD PRO A 49 7.191 -0.022 -7.064 1.00 0.00 C ATOM 0 HA PRO A 49 5.320 1.901 -8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.355 -0.333 -10.234 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.280 1.127 -9.944 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.494 -1.501 -8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.655 -0.189 -8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.925 -0.893 -6.465 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.002 0.488 -6.543 1.00 0.00 H new ATOM 642 N ALA A 50 3.960 -0.660 -7.744 1.00 0.00 N ATOM 643 CA ALA A 50 2.753 -1.474 -7.753 1.00 0.00 C ATOM 644 C ALA A 50 1.717 -0.851 -6.817 1.00 0.00 C ATOM 645 O ALA A 50 0.755 -1.507 -6.428 1.00 0.00 O ATOM 646 CB ALA A 50 3.105 -2.910 -7.361 1.00 0.00 C ATOM 0 H ALA A 50 4.514 -0.727 -6.890 1.00 0.00 H new ATOM 0 HA ALA A 50 2.317 -1.506 -8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.202 -3.521 -7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.823 -3.316 -8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.541 -2.918 -6.362 1.00 0.00 H new ATOM 652 N ASP A 51 1.951 0.410 -6.481 1.00 0.00 N ATOM 653 CA ASP A 51 1.049 1.128 -5.600 1.00 0.00 C ATOM 654 C ASP A 51 -0.039 1.808 -6.430 1.00 0.00 C ATOM 655 O ASP A 51 -0.843 2.577 -5.904 1.00 0.00 O ATOM 656 CB ASP A 51 1.791 2.215 -4.817 1.00 0.00 C ATOM 657 CG ASP A 51 0.901 3.301 -4.212 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.704 4.323 -4.900 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.436 3.082 -3.072 1.00 0.00 O ATOM 0 H ASP A 51 2.753 0.951 -6.804 1.00 0.00 H new ATOM 0 HA ASP A 51 0.619 0.408 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.356 1.741 -4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.515 2.688 -5.480 1.00 0.00 H new ATOM 665 N PHE A 52 -0.032 1.501 -7.720 1.00 0.00 N ATOM 666 CA PHE A 52 -1.009 2.072 -8.632 1.00 0.00 C ATOM 667 C PHE A 52 -2.036 1.024 -9.061 1.00 0.00 C ATOM 668 O PHE A 52 -1.812 0.286 -10.020 1.00 0.00 O ATOM 669 CB PHE A 52 -0.243 2.554 -9.865 1.00 0.00 C ATOM 670 CG PHE A 52 1.210 2.938 -9.584 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.505 3.793 -8.567 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.211 2.425 -10.351 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.853 4.150 -8.306 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.561 2.783 -10.089 1.00 0.00 C ATOM 675 CZ PHE A 52 3.854 3.636 -9.071 1.00 0.00 C ATOM 0 H PHE A 52 0.635 0.864 -8.155 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.544 2.886 -8.142 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.261 1.769 -10.621 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.760 3.415 -10.288 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.712 4.200 -7.958 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.979 1.746 -11.158 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.085 4.830 -7.500 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.355 2.377 -10.699 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.880 3.905 -8.870 1.00 0.00 H new ATOM 685 N SER A 53 -3.143 0.990 -8.332 1.00 0.00 N ATOM 686 CA SER A 53 -4.204 0.045 -8.626 1.00 0.00 C ATOM 687 C SER A 53 -5.556 0.630 -8.210 1.00 0.00 C ATOM 688 O SER A 53 -6.093 0.279 -7.162 1.00 0.00 O ATOM 689 CB SER A 53 -3.966 -1.290 -7.918 1.00 0.00 C ATOM 690 OG SER A 53 -3.818 -2.365 -8.842 1.00 0.00 O ATOM 0 H SER A 53 -3.327 1.603 -7.538 1.00 0.00 H new ATOM 0 HA SER A 53 -4.208 -0.139 -9.700 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.072 -1.218 -7.299 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.800 -1.499 -7.249 1.00 0.00 H new ATOM 0 HG SER A 53 -2.887 -2.672 -8.840 1.00 0.00 H new ATOM 696 N SER A 54 -6.066 1.513 -9.056 1.00 0.00 N ATOM 697 CA SER A 54 -7.345 2.151 -8.791 1.00 0.00 C ATOM 698 C SER A 54 -8.360 1.110 -8.312 1.00 0.00 C ATOM 699 O SER A 54 -8.404 -0.004 -8.830 1.00 0.00 O ATOM 700 CB SER A 54 -7.871 2.870 -10.035 1.00 0.00 C ATOM 701 OG SER A 54 -8.149 1.963 -11.098 1.00 0.00 O ATOM 0 H SER A 54 -5.617 1.802 -9.925 1.00 0.00 H new ATOM 0 HA SER A 54 -7.199 2.895 -8.008 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.778 3.419 -9.780 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.137 3.604 -10.367 1.00 0.00 H new ATOM 0 HG SER A 54 -8.484 2.460 -11.873 1.00 0.00 H new ATOM 707 N VAL A 55 -9.146 1.510 -7.323 1.00 0.00 N ATOM 708 CA VAL A 55 -10.158 0.627 -6.766 1.00 0.00 C ATOM 709 C VAL A 55 -11.207 1.458 -6.028 1.00 0.00 C ATOM 710 O VAL A 55 -10.976 2.627 -5.723 1.00 0.00 O ATOM 711 CB VAL A 55 -9.497 -0.429 -5.878 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.196 0.135 -4.488 1.00 0.00 C ATOM 713 CG2 VAL A 55 -10.364 -1.687 -5.783 1.00 0.00 C ATOM 0 H VAL A 55 -9.103 2.434 -6.893 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.674 0.089 -7.561 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.550 -0.709 -6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.727 -0.636 -3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.522 0.987 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.125 0.456 -4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.871 -2.421 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.333 -1.429 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.506 -2.107 -6.779 1.00 0.00 H new ATOM 723 N THR A 56 -12.339 0.825 -5.760 1.00 0.00 N ATOM 724 CA THR A 56 -13.424 1.493 -5.061 1.00 0.00 C ATOM 725 C THR A 56 -14.005 0.578 -3.980 1.00 0.00 C ATOM 726 O THR A 56 -13.914 -0.644 -4.081 1.00 0.00 O ATOM 727 CB THR A 56 -14.454 1.935 -6.102 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.180 3.319 -6.295 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.885 1.909 -5.559 1.00 0.00 C ATOM 0 H THR A 56 -12.529 -0.144 -6.014 1.00 0.00 H new ATOM 0 HA THR A 56 -13.070 2.380 -4.535 1.00 0.00 H new ATOM 0 HB THR A 56 -14.387 1.288 -6.976 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.625 3.841 -5.596 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.576 2.232 -6.338 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.137 0.896 -5.247 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.962 2.581 -4.705 1.00 0.00 H new ATOM 737 N ALA A 57 -14.591 1.206 -2.970 1.00 0.00 N ATOM 738 CA ALA A 57 -15.186 0.466 -1.873 1.00 0.00 C ATOM 739 C ALA A 57 -16.700 0.391 -2.076 1.00 0.00 C ATOM 740 O ALA A 57 -17.311 1.333 -2.580 1.00 0.00 O ATOM 741 CB ALA A 57 -14.808 1.126 -0.547 1.00 0.00 C ATOM 0 H ALA A 57 -14.666 2.220 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.806 -0.555 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.255 0.570 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.724 1.127 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.175 2.152 -0.534 1.00 0.00 H new ATOM 747 N ASP A 58 -17.267 -0.738 -1.672 1.00 0.00 N ATOM 748 CA ASP A 58 -18.699 -0.945 -1.804 1.00 0.00 C ATOM 749 C ASP A 58 -19.441 0.160 -1.050 1.00 0.00 C ATOM 750 O ASP A 58 -18.868 0.820 -0.188 1.00 0.00 O ATOM 751 CB ASP A 58 -19.117 -2.290 -1.203 1.00 0.00 C ATOM 752 CG ASP A 58 -18.126 -3.436 -1.430 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.316 -3.306 -2.373 1.00 0.00 O ATOM 754 OD2 ASP A 58 -18.204 -4.414 -0.656 1.00 0.00 O ATOM 0 H ASP A 58 -16.760 -1.518 -1.253 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.946 -0.930 -2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.262 -2.162 -0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.081 -2.575 -1.623 1.00 0.00 H new ATOM 760 N ALA A 59 -20.708 0.326 -1.405 1.00 0.00 N ATOM 761 CA ALA A 59 -21.535 1.338 -0.773 1.00 0.00 C ATOM 762 C ALA A 59 -21.221 1.386 0.724 1.00 0.00 C ATOM 763 O ALA A 59 -21.219 2.457 1.326 1.00 0.00 O ATOM 764 CB ALA A 59 -23.009 1.040 -1.051 1.00 0.00 C ATOM 0 H ALA A 59 -21.181 -0.224 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.319 2.323 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.630 1.800 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.185 1.048 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.264 0.060 -0.648 1.00 0.00 H new ATOM 770 N ASN A 60 -20.967 0.212 1.280 1.00 0.00 N ATOM 771 CA ASN A 60 -20.654 0.105 2.695 1.00 0.00 C ATOM 772 C ASN A 60 -19.147 0.285 2.894 1.00 0.00 C ATOM 773 O ASN A 60 -18.547 -0.376 3.740 1.00 0.00 O ATOM 774 CB ASN A 60 -21.044 -1.268 3.244 1.00 0.00 C ATOM 775 CG ASN A 60 -21.179 -1.231 4.766 1.00 0.00 C ATOM 776 OD1 ASN A 60 -21.299 -0.184 5.381 1.00 0.00 O ATOM 777 ND2 ASN A 60 -21.153 -2.431 5.341 1.00 0.00 N ATOM 0 H ASN A 60 -20.971 -0.675 0.776 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.215 0.876 3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.987 -1.587 2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.292 -2.004 2.960 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.236 -2.513 6.354 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.050 -3.269 4.768 1.00 0.00 H new ATOM 784 N GLY A 61 -18.580 1.178 2.099 1.00 0.00 N ATOM 785 CA GLY A 61 -17.154 1.452 2.178 1.00 0.00 C ATOM 786 C GLY A 61 -16.355 0.156 2.321 1.00 0.00 C ATOM 787 O GLY A 61 -15.395 0.095 3.088 1.00 0.00 O ATOM 0 H GLY A 61 -19.081 1.722 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.832 1.985 1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.952 2.104 3.028 1.00 0.00 H new ATOM 791 N SER A 62 -16.780 -0.850 1.570 1.00 0.00 N ATOM 792 CA SER A 62 -16.114 -2.143 1.603 1.00 0.00 C ATOM 793 C SER A 62 -15.252 -2.320 0.352 1.00 0.00 C ATOM 794 O SER A 62 -15.751 -2.718 -0.699 1.00 0.00 O ATOM 795 CB SER A 62 -17.130 -3.282 1.713 1.00 0.00 C ATOM 796 OG SER A 62 -17.605 -3.445 3.046 1.00 0.00 O ATOM 0 H SER A 62 -17.577 -0.797 0.935 1.00 0.00 H new ATOM 0 HA SER A 62 -15.474 -2.176 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.972 -3.083 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.671 -4.211 1.375 1.00 0.00 H new ATOM 0 HG SER A 62 -17.894 -2.578 3.399 1.00 0.00 H new ATOM 802 N ALA A 63 -13.972 -2.014 0.506 1.00 0.00 N ATOM 803 CA ALA A 63 -13.035 -2.135 -0.598 1.00 0.00 C ATOM 804 C ALA A 63 -12.248 -3.439 -0.454 1.00 0.00 C ATOM 805 O ALA A 63 -11.248 -3.490 0.261 1.00 0.00 O ATOM 806 CB ALA A 63 -12.124 -0.907 -0.633 1.00 0.00 C ATOM 0 H ALA A 63 -13.562 -1.682 1.379 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.567 -2.174 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.421 -0.999 -1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.728 -0.010 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.572 -0.836 0.304 1.00 0.00 H new ATOM 812 N SER A 64 -12.729 -4.465 -1.143 1.00 0.00 N ATOM 813 CA SER A 64 -12.083 -5.765 -1.101 1.00 0.00 C ATOM 814 C SER A 64 -11.356 -6.031 -2.420 1.00 0.00 C ATOM 815 O SER A 64 -11.839 -6.795 -3.254 1.00 0.00 O ATOM 816 CB SER A 64 -13.097 -6.874 -0.819 1.00 0.00 C ATOM 817 OG SER A 64 -14.090 -6.465 0.118 1.00 0.00 O ATOM 0 H SER A 64 -13.559 -4.421 -1.734 1.00 0.00 H new ATOM 0 HA SER A 64 -11.356 -5.760 -0.289 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.578 -7.170 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.577 -7.752 -0.436 1.00 0.00 H new ATOM 0 HG SER A 64 -14.719 -7.201 0.270 1.00 0.00 H new ATOM 823 N THR A 65 -10.206 -5.388 -2.568 1.00 0.00 N ATOM 824 CA THR A 65 -9.410 -5.546 -3.772 1.00 0.00 C ATOM 825 C THR A 65 -8.158 -6.375 -3.476 1.00 0.00 C ATOM 826 O THR A 65 -7.455 -6.117 -2.501 1.00 0.00 O ATOM 827 CB THR A 65 -9.101 -4.153 -4.321 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.629 -4.397 -5.643 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.910 -3.495 -3.617 1.00 0.00 C ATOM 0 H THR A 65 -9.807 -4.757 -1.873 1.00 0.00 H new ATOM 0 HA THR A 65 -9.955 -6.098 -4.538 1.00 0.00 H new ATOM 0 HB THR A 65 -9.981 -3.519 -4.215 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.258 -3.570 -6.016 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.734 -2.508 -4.045 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.126 -3.396 -2.553 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.022 -4.112 -3.751 1.00 0.00 H new ATOM 837 N SER A 66 -7.916 -7.352 -4.339 1.00 0.00 N ATOM 838 CA SER A 66 -6.761 -8.219 -4.184 1.00 0.00 C ATOM 839 C SER A 66 -5.588 -7.679 -5.003 1.00 0.00 C ATOM 840 O SER A 66 -5.753 -7.314 -6.166 1.00 0.00 O ATOM 841 CB SER A 66 -7.090 -9.654 -4.605 1.00 0.00 C ATOM 842 OG SER A 66 -7.302 -9.761 -6.011 1.00 0.00 O ATOM 0 H SER A 66 -8.501 -7.562 -5.148 1.00 0.00 H new ATOM 0 HA SER A 66 -6.482 -8.234 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.275 -10.315 -4.310 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.982 -9.992 -4.077 1.00 0.00 H new ATOM 0 HG SER A 66 -7.508 -10.691 -6.241 1.00 0.00 H new ATOM 848 N LEU A 67 -4.427 -7.646 -4.363 1.00 0.00 N ATOM 849 CA LEU A 67 -3.226 -7.158 -5.019 1.00 0.00 C ATOM 850 C LEU A 67 -2.026 -7.990 -4.562 1.00 0.00 C ATOM 851 O LEU A 67 -2.106 -8.705 -3.565 1.00 0.00 O ATOM 852 CB LEU A 67 -3.060 -5.656 -4.779 1.00 0.00 C ATOM 853 CG LEU A 67 -3.134 -4.766 -6.021 1.00 0.00 C ATOM 854 CD1 LEU A 67 -2.153 -5.241 -7.094 1.00 0.00 C ATOM 855 CD2 LEU A 67 -4.566 -4.682 -6.549 1.00 0.00 C ATOM 0 H LEU A 67 -4.293 -7.949 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.305 -7.279 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.830 -5.333 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.098 -5.490 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.836 -3.757 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.225 -4.592 -7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.138 -5.207 -6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.396 -6.264 -7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.591 -4.043 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.916 -5.680 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.214 -4.262 -5.779 1.00 0.00 H new ATOM 867 N THR A 68 -0.943 -7.871 -5.313 1.00 0.00 N ATOM 868 CA THR A 68 0.272 -8.603 -4.999 1.00 0.00 C ATOM 869 C THR A 68 1.158 -7.788 -4.056 1.00 0.00 C ATOM 870 O THR A 68 1.496 -6.641 -4.352 1.00 0.00 O ATOM 871 CB THR A 68 0.959 -8.968 -6.316 1.00 0.00 C ATOM 872 OG1 THR A 68 2.238 -9.454 -5.918 1.00 0.00 O ATOM 873 CG2 THR A 68 1.280 -7.736 -7.168 1.00 0.00 C ATOM 0 H THR A 68 -0.881 -7.277 -6.140 1.00 0.00 H new ATOM 0 HA THR A 68 0.049 -9.527 -4.466 1.00 0.00 H new ATOM 0 HB THR A 68 0.322 -9.648 -6.882 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.331 -10.391 -6.190 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.767 -8.049 -8.092 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.357 -7.207 -7.405 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.945 -7.074 -6.614 1.00 0.00 H new ATOM 881 N VAL A 69 1.510 -8.409 -2.941 1.00 0.00 N ATOM 882 CA VAL A 69 2.351 -7.753 -1.952 1.00 0.00 C ATOM 883 C VAL A 69 3.820 -8.019 -2.283 1.00 0.00 C ATOM 884 O VAL A 69 4.387 -9.021 -1.849 1.00 0.00 O ATOM 885 CB VAL A 69 1.962 -8.216 -0.545 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.143 -8.093 0.418 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.749 -7.441 -0.029 1.00 0.00 C ATOM 0 H VAL A 69 1.229 -9.359 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 69 2.201 -6.674 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 69 1.686 -9.269 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.840 -8.428 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.968 -8.710 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.464 -7.053 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.494 -7.789 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.985 -6.377 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.097 -7.603 -0.697 1.00 0.00 H new ATOM 897 N ARG A 70 4.395 -7.103 -3.049 1.00 0.00 N ATOM 898 CA ARG A 70 5.788 -7.224 -3.445 1.00 0.00 C ATOM 899 C ARG A 70 6.645 -6.203 -2.692 1.00 0.00 C ATOM 900 O ARG A 70 6.978 -5.149 -3.231 1.00 0.00 O ATOM 901 CB ARG A 70 5.955 -7.008 -4.950 1.00 0.00 C ATOM 902 CG ARG A 70 4.839 -7.704 -5.730 1.00 0.00 C ATOM 903 CD ARG A 70 5.416 -8.615 -6.817 1.00 0.00 C ATOM 904 NE ARG A 70 4.341 -9.450 -7.400 1.00 0.00 N ATOM 905 CZ ARG A 70 4.533 -10.341 -8.381 1.00 0.00 C ATOM 906 NH1 ARG A 70 5.757 -10.520 -8.896 1.00 0.00 N ATOM 907 NH2 ARG A 70 3.500 -11.057 -8.848 1.00 0.00 N ATOM 0 H ARG A 70 3.921 -6.273 -3.406 1.00 0.00 H new ATOM 0 HA ARG A 70 6.116 -8.233 -3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.947 -5.941 -5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.923 -7.393 -5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.224 -8.291 -5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.187 -6.957 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.884 -8.014 -7.596 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.194 -9.251 -6.395 1.00 0.00 H new ATOM 0 HE ARG A 70 3.396 -9.340 -7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.544 -9.977 -8.541 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.902 -11.199 -9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.568 -10.923 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.646 -11.736 -9.595 1.00 0.00 H new ATOM 921 N ARG A 71 6.975 -6.553 -1.457 1.00 0.00 N ATOM 922 CA ARG A 71 7.788 -5.680 -0.625 1.00 0.00 C ATOM 923 C ARG A 71 8.926 -5.072 -1.446 1.00 0.00 C ATOM 924 O ARG A 71 9.240 -3.892 -1.298 1.00 0.00 O ATOM 925 CB ARG A 71 8.374 -6.443 0.564 1.00 0.00 C ATOM 926 CG ARG A 71 9.592 -5.712 1.136 1.00 0.00 C ATOM 927 CD ARG A 71 10.878 -6.173 0.448 1.00 0.00 C ATOM 928 NE ARG A 71 10.863 -7.643 0.273 1.00 0.00 N ATOM 929 CZ ARG A 71 11.488 -8.502 1.089 1.00 0.00 C ATOM 930 NH1 ARG A 71 12.185 -8.045 2.139 1.00 0.00 N ATOM 931 NH2 ARG A 71 11.418 -9.820 0.853 1.00 0.00 N ATOM 0 H ARG A 71 6.695 -7.427 -1.013 1.00 0.00 H new ATOM 0 HA ARG A 71 7.144 -4.885 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.615 -6.555 1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.661 -7.447 0.251 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.470 -4.637 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.662 -5.897 2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.976 -5.685 -0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.743 -5.879 1.042 1.00 0.00 H new ATOM 0 HE ARG A 71 10.345 -8.025 -0.518 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.240 -7.042 2.317 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.660 -8.700 2.760 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.889 -10.167 0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.893 -10.475 1.474 1.00 0.00 H new ATOM 945 N SER A 72 9.513 -5.906 -2.292 1.00 0.00 N ATOM 946 CA SER A 72 10.611 -5.466 -3.136 1.00 0.00 C ATOM 947 C SER A 72 10.067 -4.739 -4.367 1.00 0.00 C ATOM 948 O SER A 72 9.031 -5.121 -4.910 1.00 0.00 O ATOM 949 CB SER A 72 11.487 -6.646 -3.561 1.00 0.00 C ATOM 950 OG SER A 72 10.792 -7.888 -3.463 1.00 0.00 O ATOM 0 H SER A 72 9.249 -6.884 -2.411 1.00 0.00 H new ATOM 0 HA SER A 72 11.230 -4.778 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.822 -6.498 -4.588 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.379 -6.679 -2.936 1.00 0.00 H new ATOM 0 HG SER A 72 11.237 -8.557 -4.023 1.00 0.00 H new ATOM 956 N PHE A 73 10.787 -3.703 -4.769 1.00 0.00 N ATOM 957 CA PHE A 73 10.388 -2.917 -5.926 1.00 0.00 C ATOM 958 C PHE A 73 11.113 -1.569 -5.949 1.00 0.00 C ATOM 959 O PHE A 73 11.922 -1.279 -5.070 1.00 0.00 O ATOM 960 CB PHE A 73 8.883 -2.673 -5.802 1.00 0.00 C ATOM 961 CG PHE A 73 8.419 -2.346 -4.383 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.195 -1.571 -3.575 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.233 -2.826 -3.926 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.765 -1.266 -2.257 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.803 -2.523 -2.606 1.00 0.00 C ATOM 966 CZ PHE A 73 7.579 -1.749 -1.800 1.00 0.00 C ATOM 0 H PHE A 73 11.645 -3.389 -4.315 1.00 0.00 H new ATOM 0 HA PHE A 73 10.639 -3.449 -6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.603 -1.852 -6.462 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.352 -3.559 -6.151 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.138 -1.188 -3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.616 -3.439 -4.567 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.380 -0.650 -1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.861 -2.907 -2.243 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.253 -1.518 -0.797 1.00 0.00 H new ATOM 976 N GLU A 74 10.793 -0.781 -6.965 1.00 0.00 N ATOM 977 CA GLU A 74 11.402 0.529 -7.115 1.00 0.00 C ATOM 978 C GLU A 74 10.516 1.603 -6.480 1.00 0.00 C ATOM 979 O GLU A 74 9.497 1.990 -7.051 1.00 0.00 O ATOM 980 CB GLU A 74 11.672 0.842 -8.589 1.00 0.00 C ATOM 981 CG GLU A 74 12.676 1.988 -8.730 1.00 0.00 C ATOM 982 CD GLU A 74 12.943 2.306 -10.203 1.00 0.00 C ATOM 983 OE1 GLU A 74 14.138 2.359 -10.565 1.00 0.00 O ATOM 984 OE2 GLU A 74 11.944 2.486 -10.933 1.00 0.00 O ATOM 0 H GLU A 74 10.120 -1.025 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 74 12.361 0.524 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.057 -0.047 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.739 1.108 -9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.293 2.876 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.611 1.720 -8.237 1.00 0.00 H new ATOM 992 N GLY A 75 10.936 2.054 -5.307 1.00 0.00 N ATOM 993 CA GLY A 75 10.195 3.074 -4.589 1.00 0.00 C ATOM 994 C GLY A 75 10.264 4.420 -5.315 1.00 0.00 C ATOM 995 O GLY A 75 11.223 4.688 -6.039 1.00 0.00 O ATOM 0 H GLY A 75 11.781 1.730 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.154 2.766 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.598 3.180 -3.582 1.00 0.00 H new ATOM 999 N PHE A 76 9.238 5.228 -5.100 1.00 0.00 N ATOM 1000 CA PHE A 76 9.170 6.537 -5.727 1.00 0.00 C ATOM 1001 C PHE A 76 8.647 7.587 -4.746 1.00 0.00 C ATOM 1002 O PHE A 76 7.564 7.433 -4.183 1.00 0.00 O ATOM 1003 CB PHE A 76 8.196 6.421 -6.900 1.00 0.00 C ATOM 1004 CG PHE A 76 8.677 7.112 -8.178 1.00 0.00 C ATOM 1005 CD1 PHE A 76 8.754 8.469 -8.232 1.00 0.00 C ATOM 1006 CD2 PHE A 76 9.028 6.367 -9.263 1.00 0.00 C ATOM 1007 CE1 PHE A 76 9.202 9.108 -9.416 1.00 0.00 C ATOM 1008 CE2 PHE A 76 9.475 7.009 -10.448 1.00 0.00 C ATOM 1009 CZ PHE A 76 9.551 8.364 -10.501 1.00 0.00 C ATOM 0 H PHE A 76 8.445 5.002 -4.499 1.00 0.00 H new ATOM 0 HA PHE A 76 10.163 6.846 -6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.023 5.366 -7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.237 6.848 -6.607 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.474 9.060 -7.373 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.966 5.290 -9.222 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.266 10.185 -9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.755 6.419 -11.308 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.888 8.851 -11.404 1.00 0.00 H new ATOM 1019 N LEU A 77 9.442 8.633 -4.571 1.00 0.00 N ATOM 1020 CA LEU A 77 9.072 9.710 -3.666 1.00 0.00 C ATOM 1021 C LEU A 77 7.792 10.378 -4.172 1.00 0.00 C ATOM 1022 O LEU A 77 7.504 10.349 -5.367 1.00 0.00 O ATOM 1023 CB LEU A 77 10.240 10.681 -3.483 1.00 0.00 C ATOM 1024 CG LEU A 77 11.628 10.045 -3.371 1.00 0.00 C ATOM 1025 CD1 LEU A 77 12.677 11.086 -2.976 1.00 0.00 C ATOM 1026 CD2 LEU A 77 11.610 8.856 -2.407 1.00 0.00 C ATOM 0 H LEU A 77 10.339 8.758 -5.039 1.00 0.00 H new ATOM 0 HA LEU A 77 8.856 9.316 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.246 11.374 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.059 11.272 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 77 11.908 9.661 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.654 10.608 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.712 11.871 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.413 11.521 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.608 8.422 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.300 9.194 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.909 8.104 -2.770 1.00 0.00 H new ATOM 1038 N PHE A 78 7.058 10.965 -3.238 1.00 0.00 N ATOM 1039 CA PHE A 78 5.816 11.638 -3.573 1.00 0.00 C ATOM 1040 C PHE A 78 6.083 13.060 -4.078 1.00 0.00 C ATOM 1041 O PHE A 78 5.283 13.616 -4.828 1.00 0.00 O ATOM 1042 CB PHE A 78 4.985 11.714 -2.291 1.00 0.00 C ATOM 1043 CG PHE A 78 3.922 12.813 -2.301 1.00 0.00 C ATOM 1044 CD1 PHE A 78 2.960 12.819 -3.259 1.00 0.00 C ATOM 1045 CD2 PHE A 78 3.942 13.784 -1.348 1.00 0.00 C ATOM 1046 CE1 PHE A 78 1.972 13.842 -3.269 1.00 0.00 C ATOM 1047 CE2 PHE A 78 2.956 14.806 -1.357 1.00 0.00 C ATOM 1048 CZ PHE A 78 1.992 14.812 -2.316 1.00 0.00 C ATOM 0 H PHE A 78 7.301 10.988 -2.248 1.00 0.00 H new ATOM 0 HA PHE A 78 5.298 11.091 -4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.497 10.753 -2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.654 11.878 -1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.945 12.047 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.707 13.777 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.207 13.849 -4.032 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.972 15.578 -0.602 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.241 15.588 -2.321 1.00 0.00 H new ATOM 1058 N ASP A 79 7.210 13.605 -3.644 1.00 0.00 N ATOM 1059 CA ASP A 79 7.591 14.949 -4.042 1.00 0.00 C ATOM 1060 C ASP A 79 7.725 15.009 -5.563 1.00 0.00 C ATOM 1061 O ASP A 79 7.187 15.913 -6.203 1.00 0.00 O ATOM 1062 CB ASP A 79 8.939 15.343 -3.433 1.00 0.00 C ATOM 1063 CG ASP A 79 9.144 16.845 -3.231 1.00 0.00 C ATOM 1064 OD1 ASP A 79 8.374 17.612 -3.847 1.00 0.00 O ATOM 1065 OD2 ASP A 79 10.067 17.193 -2.464 1.00 0.00 O ATOM 0 H ASP A 79 7.871 13.141 -3.021 1.00 0.00 H new ATOM 0 HA ASP A 79 6.821 15.635 -3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.045 14.845 -2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.735 14.966 -4.076 1.00 0.00 H new ATOM 1071 N GLY A 80 8.444 14.036 -6.100 1.00 0.00 N ATOM 1072 CA GLY A 80 8.656 13.964 -7.538 1.00 0.00 C ATOM 1073 C GLY A 80 9.841 13.056 -7.874 1.00 0.00 C ATOM 1074 O GLY A 80 9.889 12.467 -8.951 1.00 0.00 O ATOM 0 H GLY A 80 8.888 13.289 -5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.756 13.587 -8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.836 14.964 -7.933 1.00 0.00 H new ATOM 1078 N THR A 81 10.766 12.975 -6.930 1.00 0.00 N ATOM 1079 CA THR A 81 11.950 12.148 -7.114 1.00 0.00 C ATOM 1080 C THR A 81 11.621 10.681 -6.831 1.00 0.00 C ATOM 1081 O THR A 81 10.589 10.372 -6.241 1.00 0.00 O ATOM 1082 CB THR A 81 13.058 12.706 -6.218 1.00 0.00 C ATOM 1083 OG1 THR A 81 13.700 13.684 -7.031 1.00 0.00 O ATOM 1084 CG2 THR A 81 14.156 11.677 -5.938 1.00 0.00 C ATOM 0 H THR A 81 10.722 13.466 -6.037 1.00 0.00 H new ATOM 0 HA THR A 81 12.300 12.178 -8.146 1.00 0.00 H new ATOM 0 HB THR A 81 12.628 13.045 -5.276 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.432 14.098 -6.528 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.918 12.123 -5.298 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.724 10.810 -5.438 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.610 11.364 -6.878 1.00 0.00 H new ATOM 1092 N ARG A 82 12.521 9.811 -7.271 1.00 0.00 N ATOM 1093 CA ARG A 82 12.343 8.384 -7.074 1.00 0.00 C ATOM 1094 C ARG A 82 13.460 7.825 -6.191 1.00 0.00 C ATOM 1095 O ARG A 82 14.588 8.314 -6.227 1.00 0.00 O ATOM 1096 CB ARG A 82 12.338 7.640 -8.412 1.00 0.00 C ATOM 1097 CG ARG A 82 13.572 7.996 -9.241 1.00 0.00 C ATOM 1098 CD ARG A 82 14.209 6.743 -9.844 1.00 0.00 C ATOM 1099 NE ARG A 82 15.565 6.544 -9.284 1.00 0.00 N ATOM 1100 CZ ARG A 82 16.647 7.228 -9.677 1.00 0.00 C ATOM 1101 NH1 ARG A 82 16.539 8.159 -10.634 1.00 0.00 N ATOM 1102 NH2 ARG A 82 17.839 6.982 -9.114 1.00 0.00 N ATOM 0 H ARG A 82 13.376 10.069 -7.764 1.00 0.00 H new ATOM 0 HA ARG A 82 11.381 8.235 -6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.313 6.565 -8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.436 7.892 -8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.292 8.685 -10.038 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.299 8.512 -8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.588 5.872 -9.633 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.265 6.839 -10.928 1.00 0.00 H new ATOM 0 HE ARG A 82 15.682 5.842 -8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.633 8.347 -11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.363 8.680 -10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.922 6.273 -8.385 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.662 7.504 -9.414 1.00 0.00 H new ATOM 1116 N TRP A 83 13.109 6.808 -5.419 1.00 0.00 N ATOM 1117 CA TRP A 83 14.068 6.175 -4.529 1.00 0.00 C ATOM 1118 C TRP A 83 14.479 4.837 -5.147 1.00 0.00 C ATOM 1119 O TRP A 83 15.479 4.758 -5.857 1.00 0.00 O ATOM 1120 CB TRP A 83 13.495 6.034 -3.118 1.00 0.00 C ATOM 1121 CG TRP A 83 14.487 5.471 -2.099 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.350 4.384 -1.328 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.781 6.018 -1.765 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.457 4.190 -0.525 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.355 5.213 -0.802 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.445 7.152 -2.265 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.620 5.459 -0.253 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.708 7.383 -1.707 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.299 6.585 -0.735 1.00 0.00 C ATOM 0 H TRP A 83 12.172 6.406 -5.391 1.00 0.00 H new ATOM 0 HA TRP A 83 14.959 6.793 -4.420 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.153 7.011 -2.776 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.620 5.385 -3.155 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.483 3.740 -1.334 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.590 3.435 0.147 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.015 7.794 -3.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.048 4.815 0.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.262 8.242 -2.057 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.278 6.832 -0.353 1.00 0.00 H new ATOM 1140 N GLY A 84 13.682 3.820 -4.854 1.00 0.00 N ATOM 1141 CA GLY A 84 13.948 2.488 -5.372 1.00 0.00 C ATOM 1142 C GLY A 84 13.975 1.456 -4.243 1.00 0.00 C ATOM 1143 O GLY A 84 13.001 0.735 -4.033 1.00 0.00 O ATOM 0 H GLY A 84 12.852 3.891 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.182 2.217 -6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.903 2.482 -5.898 1.00 0.00 H new ATOM 1147 N THR A 85 15.101 1.418 -3.545 1.00 0.00 N ATOM 1148 CA THR A 85 15.268 0.488 -2.443 1.00 0.00 C ATOM 1149 C THR A 85 15.337 -0.949 -2.964 1.00 0.00 C ATOM 1150 O THR A 85 16.313 -1.656 -2.718 1.00 0.00 O ATOM 1151 CB THR A 85 14.127 0.720 -1.451 1.00 0.00 C ATOM 1152 OG1 THR A 85 14.505 1.906 -0.758 1.00 0.00 O ATOM 1153 CG2 THR A 85 14.075 -0.351 -0.357 1.00 0.00 C ATOM 0 H THR A 85 15.907 2.018 -3.722 1.00 0.00 H new ATOM 0 HA THR A 85 16.210 0.658 -1.922 1.00 0.00 H new ATOM 0 HB THR A 85 13.178 0.738 -1.987 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.777 2.590 -1.405 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.248 -0.139 0.320 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.929 -1.330 -0.813 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.011 -0.347 0.201 1.00 0.00 H new ATOM 1161 N VAL A 86 14.288 -1.338 -3.675 1.00 0.00 N ATOM 1162 CA VAL A 86 14.217 -2.676 -4.234 1.00 0.00 C ATOM 1163 C VAL A 86 13.691 -3.643 -3.168 1.00 0.00 C ATOM 1164 O VAL A 86 13.147 -4.696 -3.496 1.00 0.00 O ATOM 1165 CB VAL A 86 15.584 -3.085 -4.789 1.00 0.00 C ATOM 1166 CG1 VAL A 86 16.351 -1.869 -5.307 1.00 0.00 C ATOM 1167 CG2 VAL A 86 16.400 -3.841 -3.736 1.00 0.00 C ATOM 0 H VAL A 86 13.480 -0.749 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 86 13.519 -2.703 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 86 15.416 -3.758 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.318 -2.187 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 86 15.780 -1.391 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 86 16.503 -1.160 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.366 -4.120 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 86 16.553 -3.202 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.862 -4.740 -3.435 1.00 0.00 H new ATOM 1177 N ASP A 87 13.874 -3.249 -1.916 1.00 0.00 N ATOM 1178 CA ASP A 87 13.424 -4.065 -0.802 1.00 0.00 C ATOM 1179 C ASP A 87 12.913 -3.156 0.317 1.00 0.00 C ATOM 1180 O ASP A 87 13.704 -2.537 1.029 1.00 0.00 O ATOM 1181 CB ASP A 87 14.571 -4.908 -0.241 1.00 0.00 C ATOM 1182 CG ASP A 87 14.182 -6.322 0.193 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.061 -7.179 -0.710 1.00 0.00 O ATOM 1184 OD2 ASP A 87 14.011 -6.515 1.415 1.00 0.00 O ATOM 0 H ASP A 87 14.328 -2.375 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 87 12.634 -4.724 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.353 -4.978 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.000 -4.387 0.615 1.00 0.00 H new ATOM 1190 N CYS A 88 11.595 -3.102 0.439 1.00 0.00 N ATOM 1191 CA CYS A 88 10.970 -2.281 1.458 1.00 0.00 C ATOM 1192 C CYS A 88 10.787 -3.131 2.718 1.00 0.00 C ATOM 1193 O CYS A 88 9.660 -3.403 3.128 1.00 0.00 O ATOM 1194 CB CYS A 88 9.646 -1.687 0.973 1.00 0.00 C ATOM 1195 SG CYS A 88 8.563 -1.039 2.299 1.00 0.00 S ATOM 0 H CYS A 88 10.942 -3.615 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 88 11.613 -1.431 1.686 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.861 -0.880 0.272 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.101 -2.453 0.420 1.00 0.00 H new ATOM 1200 N THR A 89 11.912 -3.528 3.294 1.00 0.00 N ATOM 1201 CA THR A 89 11.890 -4.341 4.497 1.00 0.00 C ATOM 1202 C THR A 89 12.270 -3.500 5.716 1.00 0.00 C ATOM 1203 O THR A 89 12.089 -3.934 6.855 1.00 0.00 O ATOM 1204 CB THR A 89 12.814 -5.540 4.272 1.00 0.00 C ATOM 1205 OG1 THR A 89 11.927 -6.653 4.196 1.00 0.00 O ATOM 1206 CG2 THR A 89 13.687 -5.843 5.494 1.00 0.00 C ATOM 0 H THR A 89 12.845 -3.301 2.949 1.00 0.00 H new ATOM 0 HA THR A 89 10.888 -4.718 4.703 1.00 0.00 H new ATOM 0 HB THR A 89 13.450 -5.351 3.408 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.134 -6.404 3.677 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.324 -6.702 5.282 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.309 -4.977 5.720 1.00 0.00 H new ATOM 0 HG23 THR A 89 13.050 -6.066 6.350 1.00 0.00 H new ATOM 1214 N THR A 90 12.790 -2.314 5.439 1.00 0.00 N ATOM 1215 CA THR A 90 13.197 -1.409 6.499 1.00 0.00 C ATOM 1216 C THR A 90 12.025 -0.517 6.920 1.00 0.00 C ATOM 1217 O THR A 90 11.608 -0.539 8.075 1.00 0.00 O ATOM 1218 CB THR A 90 14.414 -0.621 6.010 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.505 -1.517 6.200 1.00 0.00 O ATOM 1220 CG2 THR A 90 14.747 0.568 6.913 1.00 0.00 C ATOM 0 H THR A 90 12.939 -1.959 4.495 1.00 0.00 H new ATOM 0 HA THR A 90 13.486 -1.957 7.395 1.00 0.00 H new ATOM 0 HB THR A 90 14.231 -0.265 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.336 -1.088 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.618 1.091 6.519 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.898 1.250 6.944 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.963 0.211 7.920 1.00 0.00 H new ATOM 1228 N ALA A 91 11.529 0.245 5.956 1.00 0.00 N ATOM 1229 CA ALA A 91 10.416 1.142 6.211 1.00 0.00 C ATOM 1230 C ALA A 91 9.102 0.412 5.922 1.00 0.00 C ATOM 1231 O ALA A 91 8.738 0.221 4.763 1.00 0.00 O ATOM 1232 CB ALA A 91 10.576 2.408 5.367 1.00 0.00 C ATOM 0 H ALA A 91 11.878 0.259 4.998 1.00 0.00 H new ATOM 0 HA ALA A 91 10.402 1.447 7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.740 3.081 5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.510 2.905 5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.592 2.141 4.310 1.00 0.00 H new ATOM 1238 N ALA A 92 8.429 0.025 6.996 1.00 0.00 N ATOM 1239 CA ALA A 92 7.166 -0.680 6.872 1.00 0.00 C ATOM 1240 C ALA A 92 6.353 -0.066 5.730 1.00 0.00 C ATOM 1241 O ALA A 92 6.123 1.143 5.710 1.00 0.00 O ATOM 1242 CB ALA A 92 6.423 -0.634 8.209 1.00 0.00 C ATOM 0 H ALA A 92 8.735 0.187 7.955 1.00 0.00 H new ATOM 0 HA ALA A 92 7.334 -1.729 6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.475 -1.163 8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.030 -1.109 8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.234 0.403 8.485 1.00 0.00 H new ATOM 1248 N CYS A 93 5.942 -0.924 4.810 1.00 0.00 N ATOM 1249 CA CYS A 93 5.158 -0.481 3.669 1.00 0.00 C ATOM 1250 C CYS A 93 3.677 -0.550 4.046 1.00 0.00 C ATOM 1251 O CYS A 93 3.195 -1.589 4.494 1.00 0.00 O ATOM 1252 CB CYS A 93 5.468 -1.303 2.417 1.00 0.00 C ATOM 1253 SG CYS A 93 7.002 -2.298 2.512 1.00 0.00 S ATOM 0 H CYS A 93 6.137 -1.925 4.830 1.00 0.00 H new ATOM 0 HA CYS A 93 5.420 0.548 3.422 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.630 -1.972 2.222 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.542 -0.627 1.565 1.00 0.00 H new ATOM 1258 N GLN A 94 2.997 0.570 3.851 1.00 0.00 N ATOM 1259 CA GLN A 94 1.580 0.648 4.163 1.00 0.00 C ATOM 1260 C GLN A 94 0.743 0.309 2.927 1.00 0.00 C ATOM 1261 O GLN A 94 0.710 1.075 1.966 1.00 0.00 O ATOM 1262 CB GLN A 94 1.215 2.031 4.709 1.00 0.00 C ATOM 1263 CG GLN A 94 1.934 2.306 6.032 1.00 0.00 C ATOM 1264 CD GLN A 94 2.275 3.790 6.172 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.735 4.439 5.246 1.00 0.00 O ATOM 1266 NE2 GLN A 94 2.025 4.290 7.379 1.00 0.00 N ATOM 0 H GLN A 94 3.401 1.431 3.481 1.00 0.00 H new ATOM 0 HA GLN A 94 1.358 -0.085 4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.482 2.796 3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.137 2.095 4.857 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.303 1.994 6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.847 1.713 6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.640 3.691 8.109 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.219 5.272 7.574 1.00 0.00 H new ATOM 1275 N VAL A 95 0.088 -0.841 2.993 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.745 -1.292 1.892 1.00 0.00 C ATOM 1277 C VAL A 95 -2.160 -0.741 2.071 1.00 0.00 C ATOM 1278 O VAL A 95 -2.897 -1.184 2.951 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.705 -2.819 1.796 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.132 -3.291 0.405 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.682 -3.354 2.158 1.00 0.00 C ATOM 0 H VAL A 95 0.118 -1.474 3.792 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.365 -0.911 0.944 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.416 -3.221 2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.095 -4.380 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.149 -2.954 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.457 -2.876 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.684 -4.441 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.422 -2.941 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.930 -3.061 3.178 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.498 0.220 1.225 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.813 0.837 1.278 1.00 0.00 C ATOM 1293 C GLY A 96 -4.070 1.689 0.034 1.00 0.00 C ATOM 1294 O GLY A 96 -3.205 1.808 -0.832 1.00 0.00 O ATOM 0 H GLY A 96 -1.884 0.587 0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.578 0.065 1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.892 1.458 2.171 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.264 2.261 -0.017 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.649 3.097 -1.143 1.00 0.00 C ATOM 1300 C LEU A 97 -5.663 4.561 -0.700 1.00 0.00 C ATOM 1301 O LEU A 97 -6.289 4.904 0.302 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.974 2.621 -1.738 1.00 0.00 C ATOM 1303 CG LEU A 97 -8.108 2.371 -0.740 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -8.544 3.676 -0.070 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -9.279 1.652 -1.410 1.00 0.00 C ATOM 0 H LEU A 97 -5.979 2.162 0.704 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.919 3.012 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.311 3.363 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.791 1.698 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.734 1.714 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.350 3.472 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.699 4.112 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.894 4.376 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.071 1.487 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.662 2.263 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.941 0.693 -1.802 1.00 0.00 H new ATOM 1317 N SER A 98 -4.967 5.386 -1.467 1.00 0.00 N ATOM 1318 CA SER A 98 -4.892 6.807 -1.168 1.00 0.00 C ATOM 1319 C SER A 98 -5.982 7.559 -1.933 1.00 0.00 C ATOM 1320 O SER A 98 -6.625 6.999 -2.821 1.00 0.00 O ATOM 1321 CB SER A 98 -3.513 7.371 -1.512 1.00 0.00 C ATOM 1322 OG SER A 98 -3.483 8.793 -1.430 1.00 0.00 O ATOM 0 H SER A 98 -4.449 5.098 -2.297 1.00 0.00 H new ATOM 0 HA SER A 98 -5.050 6.941 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.770 6.953 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.235 7.060 -2.519 1.00 0.00 H new ATOM 0 HG SER A 98 -2.585 9.115 -1.655 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.157 8.820 -1.563 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.155 9.657 -2.203 1.00 0.00 C ATOM 1330 C ASP A 99 -6.561 10.279 -3.468 1.00 0.00 C ATOM 1331 O ASP A 99 -5.342 10.383 -3.597 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.597 10.793 -1.280 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.195 10.627 0.188 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -5.990 10.400 0.423 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -8.105 10.733 1.040 1.00 0.00 O ATOM 0 H ASP A 99 -5.623 9.281 -0.827 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.015 9.031 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.178 11.728 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.682 10.885 -1.336 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.448 10.678 -4.367 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.025 11.287 -5.616 1.00 0.00 C ATOM 1343 C ALA A 100 -6.891 12.798 -5.422 1.00 0.00 C ATOM 1344 O ALA A 100 -6.710 13.537 -6.389 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.018 10.927 -6.723 1.00 0.00 C ATOM 0 H ALA A 100 -8.458 10.591 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.049 10.905 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.700 11.384 -7.660 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.054 9.844 -6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.009 11.296 -6.457 1.00 0.00 H new ATOM 1351 N ALA A 101 -6.987 13.212 -4.168 1.00 0.00 N ATOM 1352 CA ALA A 101 -6.879 14.622 -3.834 1.00 0.00 C ATOM 1353 C ALA A 101 -5.514 14.889 -3.197 1.00 0.00 C ATOM 1354 O ALA A 101 -4.806 15.811 -3.600 1.00 0.00 O ATOM 1355 CB ALA A 101 -8.038 15.021 -2.919 1.00 0.00 C ATOM 0 H ALA A 101 -7.139 12.595 -3.370 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.948 15.235 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.956 16.079 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.984 14.841 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.001 14.428 -2.005 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.186 14.065 -2.211 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.918 14.200 -1.515 1.00 0.00 C ATOM 1363 C GLY A 102 -4.136 14.384 -0.011 1.00 0.00 C ATOM 1364 O GLY A 102 -3.584 15.302 0.591 1.00 0.00 O ATOM 0 H GLY A 102 -5.776 13.303 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.306 13.316 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.369 15.053 -1.914 1.00 0.00 H new ATOM 1368 N ASN A 103 -4.943 13.494 0.550 1.00 0.00 N ATOM 1369 CA ASN A 103 -5.241 13.546 1.971 1.00 0.00 C ATOM 1370 C ASN A 103 -4.594 12.347 2.668 1.00 0.00 C ATOM 1371 O ASN A 103 -4.488 11.270 2.087 1.00 0.00 O ATOM 1372 CB ASN A 103 -6.749 13.480 2.221 1.00 0.00 C ATOM 1373 CG ASN A 103 -7.481 14.589 1.462 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -7.096 15.747 1.483 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -8.550 14.173 0.792 1.00 0.00 N ATOM 0 H ASN A 103 -5.399 12.734 0.046 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.851 14.486 2.362 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.131 12.508 1.909 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.948 13.573 3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.104 14.838 0.252 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.817 13.189 0.817 1.00 0.00 H new ATOM 1382 N GLY A 104 -4.176 12.577 3.904 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.543 11.530 4.686 1.00 0.00 C ATOM 1384 C GLY A 104 -4.107 10.155 4.321 1.00 0.00 C ATOM 1385 O GLY A 104 -5.119 9.729 4.878 1.00 0.00 O ATOM 0 H GLY A 104 -4.264 13.473 4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.467 11.543 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.698 11.720 5.748 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.411 9.484 3.368 1.00 0.00 N ATOM 1390 CA PRO A 105 -3.831 8.165 2.922 1.00 0.00 C ATOM 1391 C PRO A 105 -3.494 7.101 3.967 1.00 0.00 C ATOM 1392 O PRO A 105 -2.351 7.001 4.413 1.00 0.00 O ATOM 1393 CB PRO A 105 -3.114 7.948 1.600 1.00 0.00 C ATOM 1394 CG PRO A 105 -1.966 8.945 1.581 1.00 0.00 C ATOM 1395 CD PRO A 105 -2.208 9.957 2.688 1.00 0.00 C ATOM 0 HA PRO A 105 -4.910 8.090 2.790 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.745 6.926 1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.788 8.112 0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.015 8.435 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.910 9.444 0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.360 10.006 3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.350 10.959 2.284 1.00 0.00 H new ATOM 1403 N GLU A 106 -4.509 6.329 4.329 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.334 5.275 5.314 1.00 0.00 C ATOM 1405 C GLU A 106 -3.957 3.961 4.623 1.00 0.00 C ATOM 1406 O GLU A 106 -4.427 3.677 3.525 1.00 0.00 O ATOM 1407 CB GLU A 106 -5.594 5.104 6.164 1.00 0.00 C ATOM 1408 CG GLU A 106 -5.238 4.918 7.640 1.00 0.00 C ATOM 1409 CD GLU A 106 -5.370 6.235 8.407 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -4.358 6.640 9.020 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -6.480 6.808 8.363 1.00 0.00 O ATOM 0 H GLU A 106 -5.455 6.413 3.958 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.521 5.560 5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.236 5.977 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.161 4.242 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.892 4.168 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.218 4.543 7.727 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.109 3.199 5.299 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.663 1.922 4.764 1.00 0.00 C ATOM 1421 C GLY A 107 -2.496 0.889 5.881 1.00 0.00 C ATOM 1422 O GLY A 107 -2.549 1.232 7.061 1.00 0.00 O ATOM 0 H GLY A 107 -2.719 3.440 6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.384 1.558 4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.716 2.053 4.240 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.297 -0.354 5.467 1.00 0.00 N ATOM 1427 CA VAL A 108 -2.122 -1.440 6.417 1.00 0.00 C ATOM 1428 C VAL A 108 -0.631 -1.741 6.571 1.00 0.00 C ATOM 1429 O VAL A 108 0.127 -1.657 5.605 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.936 -2.656 5.975 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.255 -3.378 4.810 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -3.173 -3.611 7.148 1.00 0.00 C ATOM 0 H VAL A 108 -2.253 -0.633 4.487 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.498 -1.154 7.399 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.907 -2.302 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.855 -4.239 4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.159 -2.696 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.265 -3.714 5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.754 -4.468 6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.214 -3.954 7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.719 -3.092 7.935 1.00 0.00 H new ATOM 1442 N ALA A 109 -0.252 -2.085 7.794 1.00 0.00 N ATOM 1443 CA ALA A 109 1.136 -2.399 8.087 1.00 0.00 C ATOM 1444 C ALA A 109 1.477 -3.774 7.508 1.00 0.00 C ATOM 1445 O ALA A 109 1.163 -4.800 8.111 1.00 0.00 O ATOM 1446 CB ALA A 109 1.368 -2.328 9.598 1.00 0.00 C ATOM 0 H ALA A 109 -0.882 -2.153 8.593 1.00 0.00 H new ATOM 0 HA ALA A 109 1.801 -1.671 7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.409 -2.564 9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.140 -1.323 9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.720 -3.046 10.100 1.00 0.00 H new ATOM 1452 N ILE A 110 2.114 -3.751 6.346 1.00 0.00 N ATOM 1453 CA ILE A 110 2.499 -4.984 5.680 1.00 0.00 C ATOM 1454 C ILE A 110 3.566 -5.696 6.514 1.00 0.00 C ATOM 1455 O ILE A 110 4.501 -5.065 7.005 1.00 0.00 O ATOM 1456 CB ILE A 110 2.930 -4.703 4.241 1.00 0.00 C ATOM 1457 CG1 ILE A 110 2.413 -5.785 3.290 1.00 0.00 C ATOM 1458 CG2 ILE A 110 4.448 -4.535 4.145 1.00 0.00 C ATOM 1459 CD1 ILE A 110 2.921 -5.554 1.866 1.00 0.00 C ATOM 0 H ILE A 110 2.373 -2.899 5.849 1.00 0.00 H new ATOM 0 HA ILE A 110 1.647 -5.660 5.606 1.00 0.00 H new ATOM 0 HB ILE A 110 2.481 -3.760 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.735 -6.766 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.323 -5.787 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.727 -4.336 3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.762 -3.701 4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.937 -5.448 4.484 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.538 -6.337 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.576 -4.583 1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.011 -5.577 1.860 1.00 0.00 H new ATOM 1471 N SER A 111 3.393 -7.002 6.648 1.00 0.00 N ATOM 1472 CA SER A 111 4.329 -7.807 7.412 1.00 0.00 C ATOM 1473 C SER A 111 5.633 -7.980 6.631 1.00 0.00 C ATOM 1474 O SER A 111 6.051 -9.104 6.354 1.00 0.00 O ATOM 1475 CB SER A 111 3.730 -9.174 7.753 1.00 0.00 C ATOM 1476 OG SER A 111 3.784 -9.446 9.153 1.00 0.00 O ATOM 0 H SER A 111 2.617 -7.523 6.240 1.00 0.00 H new ATOM 0 HA SER A 111 4.540 -7.288 8.347 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.694 -9.210 7.416 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.269 -9.951 7.211 1.00 0.00 H new ATOM 0 HG SER A 111 3.860 -10.413 9.296 1.00 0.00 H new ATOM 1482 N PHE A 112 6.237 -6.850 6.295 1.00 0.00 N ATOM 1483 CA PHE A 112 7.484 -6.863 5.549 1.00 0.00 C ATOM 1484 C PHE A 112 8.501 -7.809 6.194 1.00 0.00 C ATOM 1485 O PHE A 112 8.357 -8.178 7.359 1.00 0.00 O ATOM 1486 CB PHE A 112 8.040 -5.437 5.582 1.00 0.00 C ATOM 1487 CG PHE A 112 8.351 -4.923 6.990 1.00 0.00 C ATOM 1488 CD1 PHE A 112 9.544 -5.217 7.574 1.00 0.00 C ATOM 1489 CD2 PHE A 112 7.435 -4.171 7.657 1.00 0.00 C ATOM 1490 CE1 PHE A 112 9.832 -4.741 8.880 1.00 0.00 C ATOM 1491 CE2 PHE A 112 7.724 -3.695 8.963 1.00 0.00 C ATOM 1492 CZ PHE A 112 8.916 -3.990 9.547 1.00 0.00 C ATOM 0 H PHE A 112 5.887 -5.920 6.525 1.00 0.00 H new ATOM 0 HA PHE A 112 7.304 -7.207 4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.950 -5.399 4.983 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.321 -4.766 5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.272 -5.813 7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.488 -3.936 7.193 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.779 -4.975 9.344 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.997 -3.098 9.493 1.00 0.00 H new ATOM 0 HZ PHE A 112 9.135 -3.628 10.541 1.00 0.00 H new ATOM 1502 N ASN A 113 9.503 -8.171 5.408 1.00 0.00 N ATOM 1503 CA ASN A 113 10.542 -9.067 5.889 1.00 0.00 C ATOM 1504 C ASN A 113 11.375 -8.352 6.954 1.00 0.00 C ATOM 1505 O ASN A 113 11.206 -8.597 8.148 1.00 0.00 O ATOM 1506 CB ASN A 113 11.481 -9.482 4.754 1.00 0.00 C ATOM 1507 CG ASN A 113 12.073 -10.868 5.009 1.00 0.00 C ATOM 1508 OD1 ASN A 113 11.186 -11.857 4.924 1.00 0.00 O flip ATOM 1509 ND2 ASN A 113 13.255 -11.031 5.266 1.00 0.00 N flip ATOM 0 H ASN A 113 9.618 -7.861 4.443 1.00 0.00 H new ATOM 0 HA ASN A 113 10.058 -9.953 6.299 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.937 -9.484 3.810 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.285 -8.752 4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 113 13.882 -10.228 5.316 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.616 -11.971 5.431 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.662 7.175 0.889 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.272 6.813 -0.405 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.528 5.665 -0.578 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -0.926 5.250 -1.842 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.495 5.953 -2.952 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.310 7.098 -2.810 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.677 7.579 -1.521 1.00 0.00 C HETATM 1524 C11 NCZ A 130 1.094 8.955 -1.368 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.604 9.552 -2.317 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.989 9.718 -0.119 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.117 11.176 -0.173 1.00 0.00 C HETATM 1528 C13 NCZ A 130 1.156 11.800 1.225 1.00 0.00 C HETATM 1529 C14 NCZ A 130 -0.073 12.216 1.556 1.00 0.00 C HETATM 1530 C15 NCZ A 130 -1.023 12.191 0.417 1.00 0.00 C HETATM 1531 C16 NCZ A 130 -0.153 11.788 -0.789 1.00 0.00 C HETATM 1532 O6 NCZ A 130 0.133 12.987 -1.562 1.00 0.00 O HETATM 1533 O5 NCZ A 130 2.047 12.918 1.235 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.693 7.755 -3.989 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.927 4.966 0.537 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.534 5.368 1.805 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.267 6.467 1.993 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.645 6.815 3.281 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.100 8.120 3.690 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.812 3.763 0.447 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.759 4.042 -0.015 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.325 2.997 -0.157 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.998 3.372 1.447 1.00 0.00 H new HETATM 0 H173 NCZ A 130 1.996 8.385 3.129 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.319 8.855 3.495 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.329 8.108 4.756 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.782 5.616 -3.948 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.571 4.379 -1.958 1.00 0.00 H new HETATM 0 H6 NCZ A 130 1.080 13.220 -1.466 1.00 0.00 H new HETATM 0 H5 NCZ A 130 2.381 13.078 0.328 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.869 4.798 2.672 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.649 7.612 -4.148 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.627 11.075 -1.464 1.00 0.00 H new HETATM 0 H15 NCZ A 130 -2.091 12.408 0.430 1.00 0.00 H new HETATM 0 H14 NCZ A 130 -0.347 12.540 2.560 1.00 0.00 H new HETATM 0 H13 NCZ A 130 1.504 11.055 1.941 1.00 0.00 H new HETATM 0 H12 NCZ A 130 2.029 11.371 -0.737 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.300 8.048 1.023 1.00 0.00 H new