USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 723 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 76 HIS HE2 : A 76 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 62 TYR OH : rot 150:sc= -1.18! USER MOD Set 1.2: A 82 GLN : amide:sc= -5.88! C(o=-7.1!,f=-2.2!) USER MOD Set 2.1: A 60 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Set 2.2: A 89 GLN : amide:sc= -2.91! K(o=-2.9!,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0523 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0468 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00395 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0583 K(o=-0.058,f=-2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -50:sc= 0.684 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -1.25 K(o=-1.2,f=-3!) USER MOD Single : A 30 ASN : amide:sc= -2.23! C(o=-2.2!,f=-4.2!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00379 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00248 USER MOD Single : A 48 MET CE :methyl 155:sc= 0 (180deg=-0.253) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.503 K(o=-0.5,f=-3.5) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -117:sc= 0.118 (180deg=-0.00619) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0233) USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0375) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -13.1! C(o=-13!,f=-11!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -1.25 X(o=-1.3,f=-1.3) USER MOD Single : A 91 GLN : amide:sc= -3.35! C(o=-3.4!,f=-8.2!) USER MOD Single : A 93 ASN : amide:sc= -0.0814 X(o=-0.081,f=-0.05) USER MOD Single : A 94 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.430 27.841 -2.320 1.00 0.00 N ATOM 2 CA GLY A 1 28.092 26.714 -3.170 1.00 0.00 C ATOM 3 C GLY A 1 26.983 27.040 -4.151 1.00 0.00 C ATOM 4 O GLY A 1 26.726 28.208 -4.442 1.00 0.00 O ATOM 0 H1 GLY A 1 29.458 27.864 -2.167 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.128 28.724 -2.779 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.946 27.743 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.979 26.399 -3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.787 25.872 -2.548 1.00 0.00 H new ATOM 8 N SER A 2 26.327 26.004 -4.665 1.00 0.00 N ATOM 9 CA SER A 2 25.244 26.186 -5.624 1.00 0.00 C ATOM 10 C SER A 2 24.529 24.865 -5.893 1.00 0.00 C ATOM 11 O SER A 2 25.091 23.790 -5.687 1.00 0.00 O ATOM 12 CB SER A 2 25.786 26.762 -6.934 1.00 0.00 C ATOM 13 OG SER A 2 24.762 26.861 -7.910 1.00 0.00 O ATOM 0 H SER A 2 26.527 25.031 -4.433 1.00 0.00 H new ATOM 0 HA SER A 2 24.527 26.887 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.215 27.747 -6.752 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.590 26.128 -7.309 1.00 0.00 H new ATOM 0 HG SER A 2 25.133 27.233 -8.737 1.00 0.00 H new ATOM 19 N SER A 3 23.286 24.956 -6.355 1.00 0.00 N ATOM 20 CA SER A 3 22.491 23.769 -6.649 1.00 0.00 C ATOM 21 C SER A 3 21.508 24.041 -7.784 1.00 0.00 C ATOM 22 O SER A 3 21.283 25.189 -8.163 1.00 0.00 O ATOM 23 CB SER A 3 21.734 23.314 -5.400 1.00 0.00 C ATOM 24 OG SER A 3 20.589 24.119 -5.177 1.00 0.00 O ATOM 0 H SER A 3 22.808 25.839 -6.534 1.00 0.00 H new ATOM 0 HA SER A 3 23.170 22.976 -6.962 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.434 22.272 -5.512 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.393 23.365 -4.533 1.00 0.00 H new ATOM 0 HG SER A 3 20.121 23.807 -4.374 1.00 0.00 H new ATOM 30 N GLY A 4 20.925 22.973 -8.321 1.00 0.00 N ATOM 31 CA GLY A 4 19.973 23.117 -9.407 1.00 0.00 C ATOM 32 C GLY A 4 18.840 22.112 -9.322 1.00 0.00 C ATOM 33 O GLY A 4 18.994 21.042 -8.734 1.00 0.00 O ATOM 0 H GLY A 4 21.095 22.012 -8.024 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.561 24.126 -9.394 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.491 22.997 -10.359 1.00 0.00 H new ATOM 37 N SER A 5 17.699 22.459 -9.908 1.00 0.00 N ATOM 38 CA SER A 5 16.534 21.581 -9.890 1.00 0.00 C ATOM 39 C SER A 5 15.920 21.467 -11.282 1.00 0.00 C ATOM 40 O SER A 5 16.313 22.177 -12.207 1.00 0.00 O ATOM 41 CB SER A 5 15.490 22.104 -8.901 1.00 0.00 C ATOM 42 OG SER A 5 14.580 21.082 -8.533 1.00 0.00 O ATOM 0 H SER A 5 17.556 23.341 -10.401 1.00 0.00 H new ATOM 0 HA SER A 5 16.860 20.591 -9.573 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.988 22.490 -8.011 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.946 22.936 -9.348 1.00 0.00 H new ATOM 0 HG SER A 5 13.924 21.441 -7.899 1.00 0.00 H new ATOM 48 N SER A 6 14.952 20.566 -11.423 1.00 0.00 N ATOM 49 CA SER A 6 14.285 20.354 -12.702 1.00 0.00 C ATOM 50 C SER A 6 13.002 19.549 -12.519 1.00 0.00 C ATOM 51 O SER A 6 12.672 19.129 -11.410 1.00 0.00 O ATOM 52 CB SER A 6 15.219 19.632 -13.675 1.00 0.00 C ATOM 53 OG SER A 6 14.842 19.875 -15.019 1.00 0.00 O ATOM 0 H SER A 6 14.613 19.971 -10.667 1.00 0.00 H new ATOM 0 HA SER A 6 14.026 21.329 -13.114 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.244 19.966 -13.516 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.198 18.560 -13.476 1.00 0.00 H new ATOM 0 HG SER A 6 15.455 19.404 -15.621 1.00 0.00 H new ATOM 59 N GLY A 7 12.282 19.338 -13.616 1.00 0.00 N ATOM 60 CA GLY A 7 11.043 18.584 -13.556 1.00 0.00 C ATOM 61 C GLY A 7 10.411 18.398 -14.921 1.00 0.00 C ATOM 62 O GLY A 7 10.838 19.011 -15.900 1.00 0.00 O ATOM 0 H GLY A 7 12.534 19.675 -14.545 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.237 17.607 -13.113 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.340 19.098 -12.900 1.00 0.00 H new ATOM 66 N SER A 8 9.391 17.549 -14.989 1.00 0.00 N ATOM 67 CA SER A 8 8.702 17.279 -16.246 1.00 0.00 C ATOM 68 C SER A 8 7.201 17.124 -16.021 1.00 0.00 C ATOM 69 O SER A 8 6.767 16.436 -15.096 1.00 0.00 O ATOM 70 CB SER A 8 9.264 16.015 -16.899 1.00 0.00 C ATOM 71 OG SER A 8 8.556 15.695 -18.084 1.00 0.00 O ATOM 0 H SER A 8 9.023 17.036 -14.188 1.00 0.00 H new ATOM 0 HA SER A 8 8.866 18.127 -16.911 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.319 16.160 -17.130 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.202 15.182 -16.199 1.00 0.00 H new ATOM 0 HG SER A 8 8.936 14.884 -18.483 1.00 0.00 H new ATOM 77 N THR A 9 6.411 17.771 -16.873 1.00 0.00 N ATOM 78 CA THR A 9 4.959 17.707 -16.768 1.00 0.00 C ATOM 79 C THR A 9 4.310 17.650 -18.146 1.00 0.00 C ATOM 80 O THR A 9 4.793 18.265 -19.096 1.00 0.00 O ATOM 81 CB THR A 9 4.398 18.917 -15.998 1.00 0.00 C ATOM 82 OG1 THR A 9 2.994 18.747 -15.774 1.00 0.00 O ATOM 83 CG2 THR A 9 4.641 20.207 -16.766 1.00 0.00 C ATOM 0 H THR A 9 6.753 18.345 -17.643 1.00 0.00 H new ATOM 0 HA THR A 9 4.721 16.795 -16.220 1.00 0.00 H new ATOM 0 HB THR A 9 4.914 18.980 -15.040 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.645 19.520 -15.282 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.236 21.048 -16.203 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.712 20.349 -16.910 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.149 20.151 -17.737 1.00 0.00 H new ATOM 91 N ALA A 10 3.212 16.908 -18.247 1.00 0.00 N ATOM 92 CA ALA A 10 2.495 16.774 -19.509 1.00 0.00 C ATOM 93 C ALA A 10 1.134 17.458 -19.443 1.00 0.00 C ATOM 94 O ALA A 10 0.694 17.888 -18.376 1.00 0.00 O ATOM 95 CB ALA A 10 2.333 15.305 -19.870 1.00 0.00 C ATOM 0 H ALA A 10 2.800 16.391 -17.470 1.00 0.00 H new ATOM 0 HA ALA A 10 3.081 17.265 -20.286 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.796 15.220 -20.815 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.316 14.844 -19.968 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.771 14.797 -19.086 1.00 0.00 H new ATOM 101 N THR A 11 0.469 17.555 -20.590 1.00 0.00 N ATOM 102 CA THR A 11 -0.842 18.188 -20.662 1.00 0.00 C ATOM 103 C THR A 11 -1.943 17.223 -20.237 1.00 0.00 C ATOM 104 O THR A 11 -2.984 17.131 -20.887 1.00 0.00 O ATOM 105 CB THR A 11 -1.142 18.697 -22.085 1.00 0.00 C ATOM 106 OG1 THR A 11 -0.957 17.640 -23.033 1.00 0.00 O ATOM 107 CG2 THR A 11 -0.241 19.869 -22.441 1.00 0.00 C ATOM 0 H THR A 11 0.817 17.203 -21.482 1.00 0.00 H new ATOM 0 HA THR A 11 -0.822 19.036 -19.977 1.00 0.00 H new ATOM 0 HB THR A 11 -2.178 19.034 -22.116 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.151 17.971 -23.935 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.471 20.211 -23.450 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.407 20.683 -21.735 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.801 19.554 -22.394 1.00 0.00 H new ATOM 115 N GLN A 12 -1.706 16.507 -19.143 1.00 0.00 N ATOM 116 CA GLN A 12 -2.679 15.549 -18.632 1.00 0.00 C ATOM 117 C GLN A 12 -2.752 15.606 -17.110 1.00 0.00 C ATOM 118 O GLN A 12 -1.747 15.429 -16.422 1.00 0.00 O ATOM 119 CB GLN A 12 -2.317 14.133 -19.083 1.00 0.00 C ATOM 120 CG GLN A 12 -2.258 13.972 -20.594 1.00 0.00 C ATOM 121 CD GLN A 12 -2.439 12.533 -21.036 1.00 0.00 C ATOM 122 OE1 GLN A 12 -2.855 11.679 -20.252 1.00 0.00 O ATOM 123 NE2 GLN A 12 -2.128 12.257 -22.297 1.00 0.00 N ATOM 0 H GLN A 12 -0.849 16.572 -18.594 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.657 15.813 -19.035 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.350 13.862 -18.659 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.050 13.434 -18.680 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.032 14.588 -21.052 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.299 14.342 -20.958 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.787 12.996 -22.912 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.230 11.306 -22.651 1.00 0.00 H new ATOM 132 N LYS A 13 -3.949 15.856 -16.589 1.00 0.00 N ATOM 133 CA LYS A 13 -4.155 15.937 -15.148 1.00 0.00 C ATOM 134 C LYS A 13 -4.690 14.618 -14.600 1.00 0.00 C ATOM 135 O LYS A 13 -5.884 14.331 -14.700 1.00 0.00 O ATOM 136 CB LYS A 13 -5.126 17.072 -14.813 1.00 0.00 C ATOM 137 CG LYS A 13 -4.457 18.431 -14.700 1.00 0.00 C ATOM 138 CD LYS A 13 -4.373 19.125 -16.049 1.00 0.00 C ATOM 139 CE LYS A 13 -4.065 20.607 -15.895 1.00 0.00 C ATOM 140 NZ LYS A 13 -5.274 21.389 -15.516 1.00 0.00 N ATOM 0 H LYS A 13 -4.791 16.006 -17.144 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.192 16.141 -14.680 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.897 17.119 -15.582 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.628 16.844 -13.873 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.015 19.056 -14.003 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.455 18.311 -14.288 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.600 18.653 -16.655 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.316 19.002 -16.582 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.294 20.741 -15.136 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.662 20.993 -16.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.022 22.394 -15.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.001 21.283 -16.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.645 21.038 -14.610 1.00 0.00 H new ATOM 154 N LEU A 14 -3.801 13.819 -14.020 1.00 0.00 N ATOM 155 CA LEU A 14 -4.185 12.530 -13.455 1.00 0.00 C ATOM 156 C LEU A 14 -5.203 12.709 -12.333 1.00 0.00 C ATOM 157 O LEU A 14 -4.924 13.359 -11.325 1.00 0.00 O ATOM 158 CB LEU A 14 -2.952 11.795 -12.927 1.00 0.00 C ATOM 159 CG LEU A 14 -2.169 10.975 -13.953 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.002 9.805 -14.450 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.733 11.854 -15.117 1.00 0.00 C ATOM 0 H LEU A 14 -2.810 14.041 -13.929 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.644 11.936 -14.246 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.277 12.529 -12.487 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.267 11.129 -12.123 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.277 10.579 -13.468 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.428 9.233 -15.179 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.264 9.162 -13.610 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.912 10.179 -14.918 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.177 11.254 -15.838 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.612 12.280 -15.601 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.097 12.658 -14.747 1.00 0.00 H new ATOM 173 N LEU A 15 -6.383 12.127 -12.514 1.00 0.00 N ATOM 174 CA LEU A 15 -7.443 12.220 -11.516 1.00 0.00 C ATOM 175 C LEU A 15 -7.687 10.868 -10.853 1.00 0.00 C ATOM 176 O LEU A 15 -7.631 10.747 -9.629 1.00 0.00 O ATOM 177 CB LEU A 15 -8.735 12.724 -12.161 1.00 0.00 C ATOM 178 CG LEU A 15 -10.012 12.537 -11.341 1.00 0.00 C ATOM 179 CD1 LEU A 15 -10.223 13.718 -10.406 1.00 0.00 C ATOM 180 CD2 LEU A 15 -11.214 12.359 -12.258 1.00 0.00 C ATOM 0 H LEU A 15 -6.630 11.586 -13.342 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.126 12.928 -10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.619 13.786 -12.378 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.863 12.215 -13.117 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.905 11.636 -10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.136 13.568 -9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.375 13.800 -9.726 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.309 14.634 -10.991 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.114 12.227 -11.657 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.325 13.241 -12.888 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.065 11.481 -12.886 1.00 0.00 H new ATOM 192 N ARG A 16 -7.954 9.854 -11.669 1.00 0.00 N ATOM 193 CA ARG A 16 -8.205 8.510 -11.162 1.00 0.00 C ATOM 194 C ARG A 16 -6.920 7.881 -10.632 1.00 0.00 C ATOM 195 O ARG A 16 -6.029 7.519 -11.401 1.00 0.00 O ATOM 196 CB ARG A 16 -8.801 7.629 -12.261 1.00 0.00 C ATOM 197 CG ARG A 16 -10.251 7.954 -12.582 1.00 0.00 C ATOM 198 CD ARG A 16 -11.013 6.715 -13.027 1.00 0.00 C ATOM 199 NE ARG A 16 -12.084 7.040 -13.966 1.00 0.00 N ATOM 200 CZ ARG A 16 -13.156 6.277 -14.151 1.00 0.00 C ATOM 201 NH1 ARG A 16 -13.300 5.153 -13.464 1.00 0.00 N ATOM 202 NH2 ARG A 16 -14.087 6.640 -15.024 1.00 0.00 N ATOM 0 H ARG A 16 -8.002 9.937 -12.684 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.918 8.586 -10.341 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.204 7.738 -13.166 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.730 6.585 -11.956 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.732 8.383 -11.703 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.291 8.709 -13.367 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.322 6.013 -13.494 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.435 6.216 -12.155 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.004 7.900 -14.509 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.587 4.872 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.124 4.569 -13.608 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.980 7.505 -15.554 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.910 6.054 -15.166 1.00 0.00 H new ATOM 216 N THR A 17 -6.830 7.753 -9.311 1.00 0.00 N ATOM 217 CA THR A 17 -5.655 7.170 -8.678 1.00 0.00 C ATOM 218 C THR A 17 -5.798 5.658 -8.539 1.00 0.00 C ATOM 219 O THR A 17 -5.382 5.075 -7.537 1.00 0.00 O ATOM 220 CB THR A 17 -5.404 7.781 -7.286 1.00 0.00 C ATOM 221 OG1 THR A 17 -4.158 7.310 -6.762 1.00 0.00 O ATOM 222 CG2 THR A 17 -6.531 7.423 -6.328 1.00 0.00 C ATOM 0 H THR A 17 -7.558 8.046 -8.659 1.00 0.00 H new ATOM 0 HA THR A 17 -4.805 7.394 -9.323 1.00 0.00 H new ATOM 0 HB THR A 17 -5.367 8.865 -7.390 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.120 6.334 -6.837 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.333 7.865 -5.352 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.474 7.808 -6.716 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.594 6.339 -6.230 1.00 0.00 H new ATOM 230 N ASP A 18 -6.389 5.029 -9.549 1.00 0.00 N ATOM 231 CA ASP A 18 -6.586 3.585 -9.540 1.00 0.00 C ATOM 232 C ASP A 18 -5.472 2.880 -10.308 1.00 0.00 C ATOM 233 O ASP A 18 -5.733 2.033 -11.164 1.00 0.00 O ATOM 234 CB ASP A 18 -7.944 3.230 -10.146 1.00 0.00 C ATOM 235 CG ASP A 18 -8.259 4.050 -11.381 1.00 0.00 C ATOM 236 OD1 ASP A 18 -7.353 4.228 -12.222 1.00 0.00 O ATOM 237 OD2 ASP A 18 -9.412 4.512 -11.508 1.00 0.00 O ATOM 0 H ASP A 18 -6.740 5.497 -10.384 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.560 3.246 -8.504 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.958 2.171 -10.403 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.724 3.387 -9.401 1.00 0.00 H new ATOM 242 N LYS A 19 -4.230 3.235 -9.998 1.00 0.00 N ATOM 243 CA LYS A 19 -3.076 2.637 -10.659 1.00 0.00 C ATOM 244 C LYS A 19 -1.933 2.425 -9.671 1.00 0.00 C ATOM 245 O LYS A 19 -1.777 3.184 -8.714 1.00 0.00 O ATOM 246 CB LYS A 19 -2.607 3.524 -11.814 1.00 0.00 C ATOM 247 CG LYS A 19 -1.827 4.747 -11.364 1.00 0.00 C ATOM 248 CD LYS A 19 -0.781 5.151 -12.390 1.00 0.00 C ATOM 249 CE LYS A 19 -1.327 6.183 -13.365 1.00 0.00 C ATOM 250 NZ LYS A 19 -0.240 7.003 -13.970 1.00 0.00 N ATOM 0 H LYS A 19 -3.997 3.934 -9.293 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.377 1.667 -11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.984 2.933 -12.485 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.475 3.848 -12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.514 5.577 -11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.341 4.539 -10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.093 5.557 -11.880 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.449 4.270 -12.939 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.884 5.678 -14.155 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.030 6.836 -12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.652 7.694 -14.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.275 7.505 -13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.417 6.383 -14.486 1.00 0.00 H new ATOM 264 N LEU A 20 -1.136 1.389 -9.909 1.00 0.00 N ATOM 265 CA LEU A 20 -0.006 1.078 -9.041 1.00 0.00 C ATOM 266 C LEU A 20 1.238 0.751 -9.861 1.00 0.00 C ATOM 267 O LEU A 20 1.212 -0.129 -10.720 1.00 0.00 O ATOM 268 CB LEU A 20 -0.350 -0.098 -8.125 1.00 0.00 C ATOM 269 CG LEU A 20 -0.985 0.261 -6.781 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.646 -0.960 -6.160 1.00 0.00 C ATOM 271 CD2 LEU A 20 0.056 0.845 -5.838 1.00 0.00 C ATOM 0 H LEU A 20 -1.252 0.750 -10.696 1.00 0.00 H new ATOM 0 HA LEU A 20 0.204 1.957 -8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.030 -0.762 -8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.563 -0.663 -7.934 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.753 1.015 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.092 -0.685 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.421 -1.334 -6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.898 -1.737 -6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.414 1.095 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.847 0.114 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.482 1.746 -6.279 1.00 0.00 H new ATOM 283 N GLU A 21 2.325 1.466 -9.588 1.00 0.00 N ATOM 284 CA GLU A 21 3.579 1.250 -10.301 1.00 0.00 C ATOM 285 C GLU A 21 4.223 -0.068 -9.882 1.00 0.00 C ATOM 286 O GLU A 21 4.639 -0.232 -8.735 1.00 0.00 O ATOM 287 CB GLU A 21 4.545 2.408 -10.041 1.00 0.00 C ATOM 288 CG GLU A 21 4.409 3.549 -11.036 1.00 0.00 C ATOM 289 CD GLU A 21 5.443 4.637 -10.820 1.00 0.00 C ATOM 290 OE1 GLU A 21 6.566 4.501 -11.349 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.129 5.624 -10.122 1.00 0.00 O ATOM 0 H GLU A 21 2.363 2.199 -8.879 1.00 0.00 H new ATOM 0 HA GLU A 21 3.358 1.203 -11.367 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.376 2.792 -9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.567 2.031 -10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.506 3.157 -12.048 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.411 3.980 -10.955 1.00 0.00 H new ATOM 298 N VAL A 22 4.302 -1.006 -10.821 1.00 0.00 N ATOM 299 CA VAL A 22 4.896 -2.310 -10.550 1.00 0.00 C ATOM 300 C VAL A 22 6.385 -2.184 -10.250 1.00 0.00 C ATOM 301 O VAL A 22 7.126 -1.535 -10.988 1.00 0.00 O ATOM 302 CB VAL A 22 4.702 -3.272 -11.737 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.630 -4.470 -11.611 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.251 -3.718 -11.830 1.00 0.00 C ATOM 0 H VAL A 22 3.962 -0.887 -11.775 1.00 0.00 H new ATOM 0 HA VAL A 22 4.386 -2.715 -9.676 1.00 0.00 H new ATOM 0 HB VAL A 22 4.955 -2.743 -12.656 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.478 -5.138 -12.459 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.665 -4.129 -11.599 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.413 -5.003 -10.685 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.133 -4.397 -12.674 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.968 -4.230 -10.910 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.611 -2.847 -11.972 1.00 0.00 H new ATOM 314 N CYS A 23 6.818 -2.810 -9.161 1.00 0.00 N ATOM 315 CA CYS A 23 8.220 -2.769 -8.761 1.00 0.00 C ATOM 316 C CYS A 23 9.097 -3.492 -9.779 1.00 0.00 C ATOM 317 O CYS A 23 8.656 -4.435 -10.435 1.00 0.00 O ATOM 318 CB CYS A 23 8.396 -3.402 -7.379 1.00 0.00 C ATOM 319 SG CYS A 23 9.753 -2.681 -6.399 1.00 0.00 S ATOM 0 H CYS A 23 6.218 -3.352 -8.539 1.00 0.00 H new ATOM 0 HA CYS A 23 8.530 -1.725 -8.717 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.465 -3.298 -6.822 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.577 -4.470 -7.501 1.00 0.00 H new ATOM 324 N ARG A 24 10.341 -3.042 -9.904 1.00 0.00 N ATOM 325 CA ARG A 24 11.281 -3.645 -10.843 1.00 0.00 C ATOM 326 C ARG A 24 12.101 -4.738 -10.164 1.00 0.00 C ATOM 327 O ARG A 24 12.382 -5.777 -10.760 1.00 0.00 O ATOM 328 CB ARG A 24 12.212 -2.578 -11.421 1.00 0.00 C ATOM 329 CG ARG A 24 11.670 -1.913 -12.676 1.00 0.00 C ATOM 330 CD ARG A 24 12.028 -2.705 -13.925 1.00 0.00 C ATOM 331 NE ARG A 24 13.319 -2.303 -14.477 1.00 0.00 N ATOM 332 CZ ARG A 24 13.484 -1.249 -15.268 1.00 0.00 C ATOM 333 NH1 ARG A 24 12.444 -0.495 -15.598 1.00 0.00 N ATOM 334 NH2 ARG A 24 14.690 -0.947 -15.731 1.00 0.00 N ATOM 0 H ARG A 24 10.722 -2.263 -9.368 1.00 0.00 H new ATOM 0 HA ARG A 24 10.708 -4.095 -11.654 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.391 -1.815 -10.664 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.176 -3.033 -11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.587 -1.820 -12.601 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.072 -0.903 -12.757 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.051 -3.768 -13.686 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.252 -2.565 -14.678 1.00 0.00 H new ATOM 0 HE ARG A 24 14.139 -2.862 -14.242 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.515 -0.724 -15.244 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.573 0.314 -16.206 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.492 -1.525 -15.480 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.815 -0.137 -16.338 1.00 0.00 H new ATOM 348 N GLU A 25 12.483 -4.494 -8.914 1.00 0.00 N ATOM 349 CA GLU A 25 13.273 -5.457 -8.156 1.00 0.00 C ATOM 350 C GLU A 25 12.481 -6.739 -7.914 1.00 0.00 C ATOM 351 O GLU A 25 12.927 -7.832 -8.262 1.00 0.00 O ATOM 352 CB GLU A 25 13.708 -4.853 -6.819 1.00 0.00 C ATOM 353 CG GLU A 25 14.663 -3.680 -6.963 1.00 0.00 C ATOM 354 CD GLU A 25 13.989 -2.446 -7.531 1.00 0.00 C ATOM 355 OE1 GLU A 25 13.249 -1.776 -6.781 1.00 0.00 O ATOM 356 OE2 GLU A 25 14.201 -2.150 -8.726 1.00 0.00 O ATOM 0 H GLU A 25 12.258 -3.639 -8.406 1.00 0.00 H new ATOM 0 HA GLU A 25 14.159 -5.703 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.823 -4.525 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.185 -5.627 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.089 -3.441 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.491 -3.968 -7.611 1.00 0.00 H new ATOM 363 N PHE A 26 11.304 -6.596 -7.314 1.00 0.00 N ATOM 364 CA PHE A 26 10.450 -7.742 -7.023 1.00 0.00 C ATOM 365 C PHE A 26 10.437 -8.721 -8.193 1.00 0.00 C ATOM 366 O PHE A 26 10.591 -9.928 -8.007 1.00 0.00 O ATOM 367 CB PHE A 26 9.025 -7.278 -6.715 1.00 0.00 C ATOM 368 CG PHE A 26 7.985 -8.332 -6.964 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.637 -9.230 -5.968 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.353 -8.424 -8.194 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.680 -10.201 -6.196 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.395 -9.393 -8.427 1.00 0.00 C ATOM 373 CZ PHE A 26 6.058 -10.282 -7.426 1.00 0.00 C ATOM 0 H PHE A 26 10.920 -5.698 -7.020 1.00 0.00 H new ATOM 0 HA PHE A 26 10.855 -8.253 -6.149 1.00 0.00 H new ATOM 0 HB2 PHE A 26 8.971 -6.964 -5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.797 -6.403 -7.323 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.119 -9.171 -5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.612 -7.730 -8.980 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.419 -10.896 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.911 -9.454 -9.391 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.309 -11.039 -7.605 1.00 0.00 H new ATOM 383 N GLN A 27 10.251 -8.191 -9.398 1.00 0.00 N ATOM 384 CA GLN A 27 10.216 -9.018 -10.598 1.00 0.00 C ATOM 385 C GLN A 27 11.373 -10.012 -10.609 1.00 0.00 C ATOM 386 O GLN A 27 11.166 -11.218 -10.746 1.00 0.00 O ATOM 387 CB GLN A 27 10.271 -8.140 -11.850 1.00 0.00 C ATOM 388 CG GLN A 27 9.063 -7.231 -12.008 1.00 0.00 C ATOM 389 CD GLN A 27 9.240 -6.214 -13.119 1.00 0.00 C ATOM 390 OE1 GLN A 27 10.280 -5.563 -13.220 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.223 -6.073 -13.960 1.00 0.00 N ATOM 0 H GLN A 27 10.122 -7.194 -9.569 1.00 0.00 H new ATOM 0 HA GLN A 27 9.281 -9.577 -10.595 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.173 -7.529 -11.816 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.352 -8.779 -12.729 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.181 -7.838 -12.213 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.880 -6.709 -11.069 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.380 -6.634 -13.839 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.285 -5.404 -14.728 1.00 0.00 H new ATOM 400 N ARG A 28 12.590 -9.498 -10.464 1.00 0.00 N ATOM 401 CA ARG A 28 13.779 -10.340 -10.458 1.00 0.00 C ATOM 402 C ARG A 28 14.096 -10.825 -9.046 1.00 0.00 C ATOM 403 O ARG A 28 15.243 -11.137 -8.729 1.00 0.00 O ATOM 404 CB ARG A 28 14.975 -9.574 -11.026 1.00 0.00 C ATOM 405 CG ARG A 28 15.319 -8.316 -10.246 1.00 0.00 C ATOM 406 CD ARG A 28 16.022 -7.291 -11.123 1.00 0.00 C ATOM 407 NE ARG A 28 17.438 -7.600 -11.297 1.00 0.00 N ATOM 408 CZ ARG A 28 18.147 -7.227 -12.357 1.00 0.00 C ATOM 409 NH1 ARG A 28 17.574 -6.535 -13.331 1.00 0.00 N ATOM 410 NH2 ARG A 28 19.432 -7.546 -12.443 1.00 0.00 N ATOM 0 H ARG A 28 12.778 -8.502 -10.349 1.00 0.00 H new ATOM 0 HA ARG A 28 13.581 -11.209 -11.086 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.844 -10.232 -11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.764 -9.303 -12.061 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.408 -7.881 -9.835 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.958 -8.574 -9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.536 -7.254 -12.098 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.919 -6.301 -10.678 1.00 0.00 H new ATOM 0 HE ARG A 28 17.909 -8.131 -10.565 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.586 -6.287 -13.268 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.120 -6.250 -14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.877 -8.078 -11.695 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.975 -7.259 -13.257 1.00 0.00 H new ATOM 424 N GLY A 29 13.070 -10.884 -8.202 1.00 0.00 N ATOM 425 CA GLY A 29 13.260 -11.330 -6.835 1.00 0.00 C ATOM 426 C GLY A 29 14.410 -10.621 -6.147 1.00 0.00 C ATOM 427 O GLY A 29 15.249 -11.258 -5.512 1.00 0.00 O ATOM 0 H GLY A 29 12.111 -10.631 -8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.343 -11.161 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.444 -12.404 -6.829 1.00 0.00 H new ATOM 431 N ASN A 30 14.450 -9.299 -6.277 1.00 0.00 N ATOM 432 CA ASN A 30 15.507 -8.503 -5.665 1.00 0.00 C ATOM 433 C ASN A 30 14.958 -7.655 -4.521 1.00 0.00 C ATOM 434 O ASN A 30 15.631 -7.442 -3.513 1.00 0.00 O ATOM 435 CB ASN A 30 16.167 -7.602 -6.711 1.00 0.00 C ATOM 436 CG ASN A 30 17.282 -6.757 -6.126 1.00 0.00 C ATOM 437 OD1 ASN A 30 17.176 -6.258 -5.006 1.00 0.00 O ATOM 438 ND2 ASN A 30 18.360 -6.593 -6.885 1.00 0.00 N ATOM 0 H ASN A 30 13.763 -8.757 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 30 16.254 -9.187 -5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.566 -8.218 -7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.413 -6.949 -7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.143 -6.035 -6.545 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.405 -7.025 -7.808 1.00 0.00 H new ATOM 445 N CYS A 31 13.730 -7.175 -4.686 1.00 0.00 N ATOM 446 CA CYS A 31 13.088 -6.350 -3.669 1.00 0.00 C ATOM 447 C CYS A 31 13.031 -7.083 -2.331 1.00 0.00 C ATOM 448 O CYS A 31 12.510 -8.194 -2.242 1.00 0.00 O ATOM 449 CB CYS A 31 11.676 -5.964 -4.112 1.00 0.00 C ATOM 450 SG CYS A 31 11.102 -4.365 -3.455 1.00 0.00 S ATOM 0 H CYS A 31 13.159 -7.343 -5.514 1.00 0.00 H new ATOM 0 HA CYS A 31 13.682 -5.445 -3.543 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.645 -5.929 -5.201 1.00 0.00 H new ATOM 0 HB3 CYS A 31 10.982 -6.744 -3.798 1.00 0.00 H new ATOM 455 N ALA A 32 13.571 -6.452 -1.293 1.00 0.00 N ATOM 456 CA ALA A 32 13.579 -7.042 0.039 1.00 0.00 C ATOM 457 C ALA A 32 12.474 -6.452 0.908 1.00 0.00 C ATOM 458 O ALA A 32 12.065 -7.052 1.902 1.00 0.00 O ATOM 459 CB ALA A 32 14.936 -6.839 0.698 1.00 0.00 C ATOM 0 H ALA A 32 14.008 -5.532 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 32 13.393 -8.111 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.928 -7.285 1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.709 -7.314 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.145 -5.772 0.780 1.00 0.00 H new ATOM 465 N ARG A 33 11.994 -5.272 0.527 1.00 0.00 N ATOM 466 CA ARG A 33 10.937 -4.600 1.273 1.00 0.00 C ATOM 467 C ARG A 33 9.619 -5.360 1.153 1.00 0.00 C ATOM 468 O ARG A 33 8.784 -5.320 2.055 1.00 0.00 O ATOM 469 CB ARG A 33 10.759 -3.167 0.767 1.00 0.00 C ATOM 470 CG ARG A 33 11.819 -2.205 1.278 1.00 0.00 C ATOM 471 CD ARG A 33 11.392 -0.757 1.095 1.00 0.00 C ATOM 472 NE ARG A 33 12.529 0.159 1.144 1.00 0.00 N ATOM 473 CZ ARG A 33 12.510 1.381 0.624 1.00 0.00 C ATOM 474 NH1 ARG A 33 11.420 1.832 0.019 1.00 0.00 N ATOM 475 NH2 ARG A 33 13.584 2.156 0.709 1.00 0.00 N ATOM 0 H ARG A 33 12.321 -4.762 -0.294 1.00 0.00 H new ATOM 0 HA ARG A 33 11.228 -4.574 2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.778 -3.170 -0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.776 -2.804 1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.009 -2.399 2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.756 -2.379 0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.880 -0.648 0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.677 -0.489 1.872 1.00 0.00 H new ATOM 0 HE ARG A 33 13.384 -0.157 1.602 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.592 1.240 -0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.409 2.771 -0.379 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.425 1.813 1.174 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.569 3.094 0.309 1.00 0.00 H new ATOM 489 N GLY A 34 9.441 -6.052 0.032 1.00 0.00 N ATOM 490 CA GLY A 34 8.223 -6.811 -0.185 1.00 0.00 C ATOM 491 C GLY A 34 7.012 -5.921 -0.378 1.00 0.00 C ATOM 492 O GLY A 34 7.102 -4.701 -0.240 1.00 0.00 O ATOM 0 H GLY A 34 10.118 -6.101 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.346 -7.447 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.053 -7.471 0.666 1.00 0.00 H new ATOM 496 N GLU A 35 5.875 -6.531 -0.698 1.00 0.00 N ATOM 497 CA GLU A 35 4.642 -5.784 -0.913 1.00 0.00 C ATOM 498 C GLU A 35 4.162 -5.142 0.386 1.00 0.00 C ATOM 499 O GLU A 35 3.239 -4.326 0.385 1.00 0.00 O ATOM 500 CB GLU A 35 3.554 -6.703 -1.473 1.00 0.00 C ATOM 501 CG GLU A 35 2.209 -6.016 -1.650 1.00 0.00 C ATOM 502 CD GLU A 35 2.269 -4.859 -2.628 1.00 0.00 C ATOM 503 OE1 GLU A 35 3.096 -3.947 -2.416 1.00 0.00 O ATOM 504 OE2 GLU A 35 1.490 -4.865 -3.604 1.00 0.00 O ATOM 0 H GLU A 35 5.783 -7.540 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 35 4.847 -4.994 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.882 -7.095 -2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.432 -7.556 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.477 -6.744 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.861 -5.652 -0.683 1.00 0.00 H new ATOM 511 N THR A 36 4.794 -5.518 1.494 1.00 0.00 N ATOM 512 CA THR A 36 4.432 -4.981 2.799 1.00 0.00 C ATOM 513 C THR A 36 5.262 -3.749 3.137 1.00 0.00 C ATOM 514 O THR A 36 4.728 -2.728 3.571 1.00 0.00 O ATOM 515 CB THR A 36 4.618 -6.032 3.910 1.00 0.00 C ATOM 516 OG1 THR A 36 5.917 -6.627 3.809 1.00 0.00 O ATOM 517 CG2 THR A 36 3.552 -7.113 3.817 1.00 0.00 C ATOM 0 H THR A 36 5.559 -6.192 1.513 1.00 0.00 H new ATOM 0 HA THR A 36 3.380 -4.702 2.745 1.00 0.00 H new ATOM 0 HB THR A 36 4.522 -5.531 4.873 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.028 -7.293 4.520 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.704 -7.843 4.612 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.566 -6.661 3.923 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.621 -7.610 2.849 1.00 0.00 H new ATOM 525 N ASP A 37 6.571 -3.850 2.935 1.00 0.00 N ATOM 526 CA ASP A 37 7.477 -2.742 3.217 1.00 0.00 C ATOM 527 C ASP A 37 7.727 -1.912 1.962 1.00 0.00 C ATOM 528 O ASP A 37 8.467 -0.928 1.992 1.00 0.00 O ATOM 529 CB ASP A 37 8.803 -3.266 3.770 1.00 0.00 C ATOM 530 CG ASP A 37 9.452 -2.295 4.736 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.717 -1.511 5.372 1.00 0.00 O ATOM 532 OD2 ASP A 37 10.695 -2.318 4.856 1.00 0.00 O ATOM 0 H ASP A 37 7.029 -4.688 2.577 1.00 0.00 H new ATOM 0 HA ASP A 37 7.008 -2.104 3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.632 -4.217 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.486 -3.462 2.943 1.00 0.00 H new ATOM 537 N CYS A 38 7.107 -2.316 0.858 1.00 0.00 N ATOM 538 CA CYS A 38 7.263 -1.612 -0.409 1.00 0.00 C ATOM 539 C CYS A 38 5.923 -1.071 -0.899 1.00 0.00 C ATOM 540 O CYS A 38 4.937 -1.805 -0.978 1.00 0.00 O ATOM 541 CB CYS A 38 7.866 -2.542 -1.462 1.00 0.00 C ATOM 542 SG CYS A 38 8.680 -1.674 -2.842 1.00 0.00 S ATOM 0 H CYS A 38 6.491 -3.128 0.816 1.00 0.00 H new ATOM 0 HA CYS A 38 7.937 -0.771 -0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.592 -3.197 -0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.078 -3.180 -1.862 1.00 0.00 H new ATOM 547 N ARG A 39 5.895 0.217 -1.227 1.00 0.00 N ATOM 548 CA ARG A 39 4.676 0.856 -1.709 1.00 0.00 C ATOM 549 C ARG A 39 4.289 0.321 -3.085 1.00 0.00 C ATOM 550 O ARG A 39 3.108 0.144 -3.384 1.00 0.00 O ATOM 551 CB ARG A 39 4.862 2.373 -1.774 1.00 0.00 C ATOM 552 CG ARG A 39 6.023 2.807 -2.654 1.00 0.00 C ATOM 553 CD ARG A 39 6.523 4.192 -2.273 1.00 0.00 C ATOM 554 NE ARG A 39 7.598 4.646 -3.151 1.00 0.00 N ATOM 555 CZ ARG A 39 8.226 5.807 -3.003 1.00 0.00 C ATOM 556 NH1 ARG A 39 7.888 6.627 -2.018 1.00 0.00 N ATOM 557 NH2 ARG A 39 9.195 6.150 -3.843 1.00 0.00 N ATOM 0 H ARG A 39 6.702 0.838 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 39 3.873 0.625 -1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.944 2.827 -2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.019 2.755 -0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.837 2.088 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.710 2.806 -3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.696 4.901 -2.316 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.878 4.179 -1.242 1.00 0.00 H new ATOM 0 HE ARG A 39 7.882 4.039 -3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.144 6.367 -1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.372 7.518 -1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.458 5.522 -4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.677 7.042 -3.729 1.00 0.00 H new ATOM 571 N PHE A 40 5.292 0.065 -3.918 1.00 0.00 N ATOM 572 CA PHE A 40 5.057 -0.449 -5.263 1.00 0.00 C ATOM 573 C PHE A 40 4.311 -1.779 -5.214 1.00 0.00 C ATOM 574 O PHE A 40 4.572 -2.618 -4.352 1.00 0.00 O ATOM 575 CB PHE A 40 6.383 -0.621 -6.005 1.00 0.00 C ATOM 576 CG PHE A 40 7.150 0.660 -6.169 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.928 1.480 -7.263 1.00 0.00 C ATOM 578 CD2 PHE A 40 8.092 1.044 -5.228 1.00 0.00 C ATOM 579 CE1 PHE A 40 7.631 2.660 -7.416 1.00 0.00 C ATOM 580 CE2 PHE A 40 8.798 2.223 -5.376 1.00 0.00 C ATOM 581 CZ PHE A 40 8.568 3.031 -6.472 1.00 0.00 C ATOM 0 H PHE A 40 6.275 0.205 -3.686 1.00 0.00 H new ATOM 0 HA PHE A 40 4.441 0.273 -5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.001 -1.339 -5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.187 -1.046 -6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.197 1.194 -8.005 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.277 0.415 -4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.448 3.291 -8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.529 2.512 -4.635 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.120 3.952 -6.591 1.00 0.00 H new ATOM 591 N ALA A 41 3.382 -1.965 -6.146 1.00 0.00 N ATOM 592 CA ALA A 41 2.600 -3.193 -6.211 1.00 0.00 C ATOM 593 C ALA A 41 3.437 -4.350 -6.745 1.00 0.00 C ATOM 594 O ALA A 41 4.053 -4.246 -7.806 1.00 0.00 O ATOM 595 CB ALA A 41 1.366 -2.988 -7.078 1.00 0.00 C ATOM 0 H ALA A 41 3.153 -1.280 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 41 2.282 -3.445 -5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.791 -3.913 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.750 -2.196 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.672 -2.708 -8.086 1.00 0.00 H new ATOM 601 N HIS A 42 3.457 -5.452 -6.002 1.00 0.00 N ATOM 602 CA HIS A 42 4.220 -6.629 -6.401 1.00 0.00 C ATOM 603 C HIS A 42 3.302 -7.701 -6.981 1.00 0.00 C ATOM 604 O HIS A 42 2.636 -8.441 -6.257 1.00 0.00 O ATOM 605 CB HIS A 42 4.990 -7.193 -5.207 1.00 0.00 C ATOM 606 CG HIS A 42 6.126 -6.324 -4.762 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.235 -6.814 -4.105 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.322 -4.991 -4.885 1.00 0.00 C ATOM 609 CE1 HIS A 42 8.063 -5.818 -3.842 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.532 -4.701 -4.305 1.00 0.00 N ATOM 0 H HIS A 42 2.954 -5.554 -5.121 1.00 0.00 H new ATOM 0 HA HIS A 42 4.929 -6.327 -7.171 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.301 -7.331 -4.374 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.377 -8.178 -5.467 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.392 -7.792 -3.860 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.651 -4.286 -5.353 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.013 -5.903 -3.335 1.00 0.00 H new ATOM 618 N PRO A 43 3.264 -7.787 -8.319 1.00 0.00 N ATOM 619 CA PRO A 43 2.431 -8.765 -9.026 1.00 0.00 C ATOM 620 C PRO A 43 2.937 -10.192 -8.851 1.00 0.00 C ATOM 621 O PRO A 43 3.935 -10.586 -9.454 1.00 0.00 O ATOM 622 CB PRO A 43 2.544 -8.334 -10.491 1.00 0.00 C ATOM 623 CG PRO A 43 3.846 -7.615 -10.575 1.00 0.00 C ATOM 624 CD PRO A 43 4.032 -6.938 -9.245 1.00 0.00 C ATOM 0 HA PRO A 43 1.409 -8.778 -8.648 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.523 -9.195 -11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.715 -7.687 -10.778 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.662 -8.308 -10.777 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.838 -6.887 -11.386 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.084 -6.886 -8.964 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.655 -5.915 -9.259 1.00 0.00 H new ATOM 632 N ALA A 44 2.242 -10.964 -8.021 1.00 0.00 N ATOM 633 CA ALA A 44 2.620 -12.349 -7.769 1.00 0.00 C ATOM 634 C ALA A 44 1.681 -13.313 -8.485 1.00 0.00 C ATOM 635 O ALA A 44 2.104 -14.363 -8.969 1.00 0.00 O ATOM 636 CB ALA A 44 2.628 -12.629 -6.273 1.00 0.00 C ATOM 0 H ALA A 44 1.414 -10.653 -7.512 1.00 0.00 H new ATOM 0 HA ALA A 44 3.625 -12.504 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.912 -13.667 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.345 -11.970 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.633 -12.451 -5.864 1.00 0.00 H new ATOM 642 N ASP A 45 0.404 -12.951 -8.548 1.00 0.00 N ATOM 643 CA ASP A 45 -0.596 -13.785 -9.205 1.00 0.00 C ATOM 644 C ASP A 45 -0.334 -13.865 -10.706 1.00 0.00 C ATOM 645 O ASP A 45 0.591 -13.236 -11.220 1.00 0.00 O ATOM 646 CB ASP A 45 -1.999 -13.234 -8.948 1.00 0.00 C ATOM 647 CG ASP A 45 -3.084 -14.248 -9.254 1.00 0.00 C ATOM 648 OD1 ASP A 45 -2.993 -15.386 -8.745 1.00 0.00 O ATOM 649 OD2 ASP A 45 -4.024 -13.904 -10.000 1.00 0.00 O ATOM 0 H ASP A 45 0.037 -12.086 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.527 -14.790 -8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.079 -12.924 -7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.154 -12.344 -9.558 1.00 0.00 H new ATOM 654 N SER A 46 -1.155 -14.644 -11.404 1.00 0.00 N ATOM 655 CA SER A 46 -1.010 -14.811 -12.845 1.00 0.00 C ATOM 656 C SER A 46 -0.520 -13.520 -13.495 1.00 0.00 C ATOM 657 O SER A 46 -0.853 -12.421 -13.049 1.00 0.00 O ATOM 658 CB SER A 46 -2.341 -15.236 -13.467 1.00 0.00 C ATOM 659 OG SER A 46 -2.271 -15.218 -14.883 1.00 0.00 O ATOM 0 H SER A 46 -1.927 -15.169 -10.994 1.00 0.00 H new ATOM 0 HA SER A 46 -0.269 -15.591 -13.023 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.602 -16.238 -13.125 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.133 -14.567 -13.130 1.00 0.00 H new ATOM 0 HG SER A 46 -3.134 -15.495 -15.257 1.00 0.00 H new ATOM 665 N THR A 47 0.272 -13.661 -14.553 1.00 0.00 N ATOM 666 CA THR A 47 0.809 -12.508 -15.264 1.00 0.00 C ATOM 667 C THR A 47 -0.182 -11.349 -15.260 1.00 0.00 C ATOM 668 O THR A 47 -1.207 -11.395 -15.939 1.00 0.00 O ATOM 669 CB THR A 47 1.163 -12.861 -16.721 1.00 0.00 C ATOM 670 OG1 THR A 47 1.978 -14.038 -16.756 1.00 0.00 O ATOM 671 CG2 THR A 47 1.895 -11.711 -17.395 1.00 0.00 C ATOM 0 H THR A 47 0.556 -14.563 -14.936 1.00 0.00 H new ATOM 0 HA THR A 47 1.717 -12.208 -14.740 1.00 0.00 H new ATOM 0 HB THR A 47 0.235 -13.046 -17.262 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.197 -14.257 -17.686 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.134 -11.984 -18.423 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.260 -10.825 -17.394 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.816 -11.498 -16.852 1.00 0.00 H new ATOM 679 N MET A 48 0.131 -10.311 -14.492 1.00 0.00 N ATOM 680 CA MET A 48 -0.732 -9.139 -14.402 1.00 0.00 C ATOM 681 C MET A 48 0.085 -7.854 -14.494 1.00 0.00 C ATOM 682 O MET A 48 -0.153 -6.903 -13.750 1.00 0.00 O ATOM 683 CB MET A 48 -1.523 -9.162 -13.093 1.00 0.00 C ATOM 684 CG MET A 48 -2.852 -9.893 -13.199 1.00 0.00 C ATOM 685 SD MET A 48 -4.008 -9.074 -14.314 1.00 0.00 S ATOM 686 CE MET A 48 -5.182 -8.394 -13.144 1.00 0.00 C ATOM 0 H MET A 48 0.976 -10.257 -13.923 1.00 0.00 H new ATOM 0 HA MET A 48 -1.429 -9.166 -15.240 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.918 -9.636 -12.320 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.706 -8.137 -12.771 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.676 -10.910 -13.548 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.301 -9.969 -12.208 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.676 -7.529 -13.586 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.927 -9.150 -12.895 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.658 -8.089 -12.238 1.00 0.00 H new ATOM 696 N ILE A 49 1.047 -7.834 -15.411 1.00 0.00 N ATOM 697 CA ILE A 49 1.897 -6.666 -15.600 1.00 0.00 C ATOM 698 C ILE A 49 1.685 -6.049 -16.978 1.00 0.00 C ATOM 699 O ILE A 49 1.433 -6.756 -17.954 1.00 0.00 O ATOM 700 CB ILE A 49 3.386 -7.020 -15.431 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.659 -7.508 -14.007 1.00 0.00 C ATOM 702 CG2 ILE A 49 4.257 -5.817 -15.761 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.825 -8.466 -13.909 1.00 0.00 C ATOM 0 H ILE A 49 1.257 -8.614 -16.034 1.00 0.00 H new ATOM 0 HA ILE A 49 1.615 -5.943 -14.834 1.00 0.00 H new ATOM 0 HB ILE A 49 3.634 -7.824 -16.124 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.852 -6.647 -13.367 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.764 -7.997 -13.622 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.307 -6.083 -15.637 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.080 -5.511 -16.792 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.010 -4.994 -15.091 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.960 -8.770 -12.871 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.626 -9.345 -14.522 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.731 -7.974 -14.264 1.00 0.00 H new ATOM 715 N ASP A 50 1.792 -4.727 -17.051 1.00 0.00 N ATOM 716 CA ASP A 50 1.615 -4.014 -18.311 1.00 0.00 C ATOM 717 C ASP A 50 2.963 -3.714 -18.959 1.00 0.00 C ATOM 718 O ASP A 50 3.773 -2.961 -18.416 1.00 0.00 O ATOM 719 CB ASP A 50 0.845 -2.712 -18.082 1.00 0.00 C ATOM 720 CG ASP A 50 0.066 -2.277 -19.307 1.00 0.00 C ATOM 721 OD1 ASP A 50 0.530 -2.553 -20.433 1.00 0.00 O ATOM 722 OD2 ASP A 50 -1.007 -1.660 -19.140 1.00 0.00 O ATOM 0 H ASP A 50 2.000 -4.127 -16.253 1.00 0.00 H new ATOM 0 HA ASP A 50 1.042 -4.652 -18.983 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.158 -2.842 -17.246 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.544 -1.924 -17.801 1.00 0.00 H new ATOM 727 N THR A 51 3.200 -4.309 -20.125 1.00 0.00 N ATOM 728 CA THR A 51 4.450 -4.108 -20.846 1.00 0.00 C ATOM 729 C THR A 51 4.487 -2.736 -21.510 1.00 0.00 C ATOM 730 O THR A 51 5.413 -2.423 -22.257 1.00 0.00 O ATOM 731 CB THR A 51 4.659 -5.192 -21.921 1.00 0.00 C ATOM 732 OG1 THR A 51 3.566 -5.180 -22.847 1.00 0.00 O ATOM 733 CG2 THR A 51 4.777 -6.569 -21.285 1.00 0.00 C ATOM 0 H THR A 51 2.541 -4.934 -20.590 1.00 0.00 H new ATOM 0 HA THR A 51 5.253 -4.175 -20.112 1.00 0.00 H new ATOM 0 HB THR A 51 5.586 -4.974 -22.451 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.707 -5.870 -23.528 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.924 -7.318 -22.063 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.627 -6.583 -20.603 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.865 -6.794 -20.733 1.00 0.00 H new ATOM 741 N SER A 52 3.475 -1.921 -21.231 1.00 0.00 N ATOM 742 CA SER A 52 3.390 -0.583 -21.804 1.00 0.00 C ATOM 743 C SER A 52 3.943 0.458 -20.836 1.00 0.00 C ATOM 744 O SER A 52 4.799 1.265 -21.197 1.00 0.00 O ATOM 745 CB SER A 52 1.941 -0.248 -22.159 1.00 0.00 C ATOM 746 OG SER A 52 1.864 0.950 -22.913 1.00 0.00 O ATOM 0 H SER A 52 2.702 -2.164 -20.611 1.00 0.00 H new ATOM 0 HA SER A 52 3.992 -0.565 -22.713 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.504 -1.068 -22.728 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.354 -0.145 -21.246 1.00 0.00 H new ATOM 0 HG SER A 52 0.927 1.141 -23.129 1.00 0.00 H new ATOM 752 N ASP A 53 3.446 0.433 -19.604 1.00 0.00 N ATOM 753 CA ASP A 53 3.889 1.374 -18.581 1.00 0.00 C ATOM 754 C ASP A 53 4.151 0.657 -17.261 1.00 0.00 C ATOM 755 O ASP A 53 4.119 1.269 -16.194 1.00 0.00 O ATOM 756 CB ASP A 53 2.844 2.473 -18.381 1.00 0.00 C ATOM 757 CG ASP A 53 2.842 3.482 -19.512 1.00 0.00 C ATOM 758 OD1 ASP A 53 3.939 3.899 -19.938 1.00 0.00 O ATOM 759 OD2 ASP A 53 1.742 3.857 -19.972 1.00 0.00 O ATOM 0 H ASP A 53 2.736 -0.229 -19.289 1.00 0.00 H new ATOM 0 HA ASP A 53 4.821 1.828 -18.919 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.856 2.020 -18.300 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.037 2.987 -17.440 1.00 0.00 H new ATOM 764 N ASN A 54 4.409 -0.644 -17.340 1.00 0.00 N ATOM 765 CA ASN A 54 4.675 -1.445 -16.151 1.00 0.00 C ATOM 766 C ASN A 54 3.819 -0.977 -14.977 1.00 0.00 C ATOM 767 O ASN A 54 4.324 -0.752 -13.877 1.00 0.00 O ATOM 768 CB ASN A 54 6.157 -1.367 -15.779 1.00 0.00 C ATOM 769 CG ASN A 54 6.570 -2.465 -14.817 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.052 -3.581 -14.872 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.507 -2.152 -13.930 1.00 0.00 N ATOM 0 H ASN A 54 4.440 -1.166 -18.216 1.00 0.00 H new ATOM 0 HA ASN A 54 4.418 -2.480 -16.376 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.760 -1.435 -16.684 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.365 -0.396 -15.329 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.826 -2.849 -13.257 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.908 -1.214 -13.921 1.00 0.00 H new ATOM 778 N THR A 55 2.520 -0.831 -15.220 1.00 0.00 N ATOM 779 CA THR A 55 1.594 -0.389 -14.185 1.00 0.00 C ATOM 780 C THR A 55 0.370 -1.294 -14.120 1.00 0.00 C ATOM 781 O THR A 55 -0.111 -1.780 -15.144 1.00 0.00 O ATOM 782 CB THR A 55 1.135 1.061 -14.424 1.00 0.00 C ATOM 783 OG1 THR A 55 0.762 1.237 -15.796 1.00 0.00 O ATOM 784 CG2 THR A 55 2.237 2.045 -14.063 1.00 0.00 C ATOM 0 H THR A 55 2.086 -1.013 -16.125 1.00 0.00 H new ATOM 0 HA THR A 55 2.131 -0.440 -13.238 1.00 0.00 H new ATOM 0 HB THR A 55 0.273 1.255 -13.785 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.470 2.161 -15.940 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.889 3.063 -14.240 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.498 1.929 -13.011 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.115 1.850 -14.678 1.00 0.00 H new ATOM 792 N VAL A 56 -0.133 -1.517 -12.910 1.00 0.00 N ATOM 793 CA VAL A 56 -1.304 -2.363 -12.711 1.00 0.00 C ATOM 794 C VAL A 56 -2.531 -1.529 -12.361 1.00 0.00 C ATOM 795 O VAL A 56 -2.432 -0.524 -11.655 1.00 0.00 O ATOM 796 CB VAL A 56 -1.065 -3.399 -11.597 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.019 -4.384 -12.007 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.702 -2.705 -10.294 1.00 0.00 C ATOM 0 H VAL A 56 0.253 -1.123 -12.052 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.480 -2.886 -13.651 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.988 -3.957 -11.440 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.174 -5.108 -11.207 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.287 -4.905 -12.914 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.948 -3.846 -12.194 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.537 -3.452 -9.518 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.207 -2.120 -10.434 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.516 -2.045 -9.994 1.00 0.00 H new ATOM 808 N THR A 57 -3.689 -1.952 -12.857 1.00 0.00 N ATOM 809 CA THR A 57 -4.937 -1.245 -12.597 1.00 0.00 C ATOM 810 C THR A 57 -5.496 -1.602 -11.225 1.00 0.00 C ATOM 811 O THR A 57 -5.745 -2.771 -10.930 1.00 0.00 O ATOM 812 CB THR A 57 -5.996 -1.562 -13.669 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.425 -1.434 -14.976 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.192 -0.631 -13.540 1.00 0.00 C ATOM 0 H THR A 57 -3.789 -2.782 -13.442 1.00 0.00 H new ATOM 0 HA THR A 57 -4.709 -0.180 -12.627 1.00 0.00 H new ATOM 0 HB THR A 57 -6.335 -2.587 -13.520 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.105 -1.639 -15.651 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.927 -0.874 -14.308 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.643 -0.752 -12.555 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.865 0.401 -13.665 1.00 0.00 H new ATOM 822 N VAL A 58 -5.691 -0.588 -10.388 1.00 0.00 N ATOM 823 CA VAL A 58 -6.223 -0.796 -9.046 1.00 0.00 C ATOM 824 C VAL A 58 -7.744 -0.894 -9.067 1.00 0.00 C ATOM 825 O VAL A 58 -8.424 -0.054 -9.657 1.00 0.00 O ATOM 826 CB VAL A 58 -5.806 0.342 -8.095 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.409 0.132 -6.715 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.290 0.440 -8.014 1.00 0.00 C ATOM 0 H VAL A 58 -5.489 0.386 -10.615 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.806 -1.735 -8.682 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.187 1.283 -8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.104 0.945 -6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.496 0.116 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.060 -0.816 -6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.013 1.249 -7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.884 -0.500 -7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.885 0.641 -9.006 1.00 0.00 H new ATOM 838 N CYS A 59 -8.274 -1.926 -8.419 1.00 0.00 N ATOM 839 CA CYS A 59 -9.715 -2.136 -8.362 1.00 0.00 C ATOM 840 C CYS A 59 -10.370 -1.155 -7.394 1.00 0.00 C ATOM 841 O CYS A 59 -10.259 -1.301 -6.177 1.00 0.00 O ATOM 842 CB CYS A 59 -10.026 -3.573 -7.938 1.00 0.00 C ATOM 843 SG CYS A 59 -11.783 -4.030 -8.092 1.00 0.00 S ATOM 0 H CYS A 59 -7.726 -2.631 -7.925 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.122 -1.962 -9.358 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.430 -4.256 -8.543 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.715 -3.710 -6.902 1.00 0.00 H new ATOM 848 N MET A 60 -11.052 -0.156 -7.944 1.00 0.00 N ATOM 849 CA MET A 60 -11.726 0.848 -7.129 1.00 0.00 C ATOM 850 C MET A 60 -12.708 0.194 -6.162 1.00 0.00 C ATOM 851 O MET A 60 -12.661 0.437 -4.956 1.00 0.00 O ATOM 852 CB MET A 60 -12.462 1.850 -8.021 1.00 0.00 C ATOM 853 CG MET A 60 -13.194 2.932 -7.244 1.00 0.00 C ATOM 854 SD MET A 60 -12.278 3.486 -5.793 1.00 0.00 S ATOM 855 CE MET A 60 -10.930 4.379 -6.564 1.00 0.00 C ATOM 0 H MET A 60 -11.153 -0.020 -8.950 1.00 0.00 H new ATOM 0 HA MET A 60 -10.969 1.376 -6.549 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.745 2.320 -8.694 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.178 1.313 -8.643 1.00 0.00 H new ATOM 0 HG2 MET A 60 -13.378 3.783 -7.900 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.168 2.554 -6.932 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.303 4.828 -5.794 1.00 0.00 H new ATOM 0 HE2 MET A 60 -10.333 3.691 -7.162 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.333 5.162 -7.206 1.00 0.00 H new ATOM 865 N ASP A 61 -13.596 -0.635 -6.698 1.00 0.00 N ATOM 866 CA ASP A 61 -14.589 -1.325 -5.882 1.00 0.00 C ATOM 867 C ASP A 61 -13.944 -1.935 -4.642 1.00 0.00 C ATOM 868 O ASP A 61 -14.318 -1.616 -3.514 1.00 0.00 O ATOM 869 CB ASP A 61 -15.284 -2.415 -6.700 1.00 0.00 C ATOM 870 CG ASP A 61 -16.715 -2.646 -6.257 1.00 0.00 C ATOM 871 OD1 ASP A 61 -17.265 -1.776 -5.550 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.285 -3.698 -6.617 1.00 0.00 O ATOM 0 H ASP A 61 -13.649 -0.846 -7.695 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.331 -0.594 -5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.273 -2.137 -7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.724 -3.346 -6.610 1.00 0.00 H new ATOM 877 N TYR A 62 -12.973 -2.816 -4.859 1.00 0.00 N ATOM 878 CA TYR A 62 -12.278 -3.475 -3.760 1.00 0.00 C ATOM 879 C TYR A 62 -11.880 -2.467 -2.686 1.00 0.00 C ATOM 880 O TYR A 62 -12.143 -2.670 -1.500 1.00 0.00 O ATOM 881 CB TYR A 62 -11.037 -4.203 -4.277 1.00 0.00 C ATOM 882 CG TYR A 62 -10.137 -4.721 -3.177 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.643 -5.510 -2.152 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.780 -4.421 -3.164 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.824 -5.985 -1.146 1.00 0.00 C ATOM 886 CE2 TYR A 62 -7.954 -4.892 -2.163 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.481 -5.673 -1.155 1.00 0.00 C ATOM 888 OH TYR A 62 -7.662 -6.145 -0.155 1.00 0.00 O ATOM 0 H TYR A 62 -12.650 -3.090 -5.787 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.958 -4.202 -3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.350 -5.039 -4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.467 -3.525 -4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.694 -5.756 -2.141 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.364 -3.809 -3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.234 -6.598 -0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.901 -4.651 -2.169 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.756 -6.271 -0.506 1.00 0.00 H new ATOM 898 N ILE A 63 -11.244 -1.380 -3.110 1.00 0.00 N ATOM 899 CA ILE A 63 -10.811 -0.339 -2.187 1.00 0.00 C ATOM 900 C ILE A 63 -11.927 0.034 -1.216 1.00 0.00 C ATOM 901 O ILE A 63 -11.703 0.155 -0.012 1.00 0.00 O ATOM 902 CB ILE A 63 -10.355 0.926 -2.937 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.142 0.614 -3.816 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.030 2.039 -1.952 1.00 0.00 C ATOM 905 CD1 ILE A 63 -7.916 0.206 -3.030 1.00 0.00 C ATOM 0 H ILE A 63 -11.017 -1.198 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.967 -0.744 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.169 1.263 -3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.402 -0.186 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.903 1.492 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.709 2.926 -2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.917 2.276 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.230 1.714 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.095 -0.000 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.631 1.013 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.137 -0.690 -2.450 1.00 0.00 H new ATOM 917 N LYS A 64 -13.131 0.213 -1.748 1.00 0.00 N ATOM 918 CA LYS A 64 -14.284 0.569 -0.930 1.00 0.00 C ATOM 919 C LYS A 64 -14.570 -0.512 0.107 1.00 0.00 C ATOM 920 O LYS A 64 -15.145 -0.239 1.160 1.00 0.00 O ATOM 921 CB LYS A 64 -15.516 0.781 -1.813 1.00 0.00 C ATOM 922 CG LYS A 64 -15.311 1.818 -2.905 1.00 0.00 C ATOM 923 CD LYS A 64 -16.605 2.539 -3.239 1.00 0.00 C ATOM 924 CE LYS A 64 -17.668 1.574 -3.742 1.00 0.00 C ATOM 925 NZ LYS A 64 -17.626 1.425 -5.223 1.00 0.00 N ATOM 0 H LYS A 64 -13.334 0.117 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.054 1.498 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.791 -0.168 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.354 1.086 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.562 2.542 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.922 1.333 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.973 3.057 -2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.414 3.299 -3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.524 0.600 -3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.653 1.930 -3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.519 1.767 -5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.835 1.981 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.495 0.423 -5.467 1.00 0.00 H new ATOM 939 N GLY A 65 -14.162 -1.740 -0.196 1.00 0.00 N ATOM 940 CA GLY A 65 -14.381 -2.843 0.721 1.00 0.00 C ATOM 941 C GLY A 65 -15.232 -3.941 0.114 1.00 0.00 C ATOM 942 O GLY A 65 -15.245 -5.069 0.607 1.00 0.00 O ATOM 0 H GLY A 65 -13.683 -1.991 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.419 -3.258 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.864 -2.470 1.624 1.00 0.00 H new ATOM 946 N ARG A 66 -15.947 -3.610 -0.956 1.00 0.00 N ATOM 947 CA ARG A 66 -16.807 -4.576 -1.629 1.00 0.00 C ATOM 948 C ARG A 66 -16.528 -4.601 -3.129 1.00 0.00 C ATOM 949 O ARG A 66 -16.919 -3.690 -3.859 1.00 0.00 O ATOM 950 CB ARG A 66 -18.279 -4.242 -1.379 1.00 0.00 C ATOM 951 CG ARG A 66 -18.702 -4.404 0.072 1.00 0.00 C ATOM 952 CD ARG A 66 -19.083 -5.843 0.383 1.00 0.00 C ATOM 953 NE ARG A 66 -19.075 -6.113 1.819 1.00 0.00 N ATOM 954 CZ ARG A 66 -20.081 -5.806 2.629 1.00 0.00 C ATOM 955 NH1 ARG A 66 -21.170 -5.222 2.148 1.00 0.00 N ATOM 956 NH2 ARG A 66 -20.000 -6.084 3.924 1.00 0.00 N ATOM 0 H ARG A 66 -15.948 -2.680 -1.376 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.591 -5.563 -1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.468 -3.215 -1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.900 -4.884 -2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.888 -4.092 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.548 -3.749 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.074 -6.051 -0.019 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.388 -6.518 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.252 -6.562 2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -21.236 -5.007 1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.941 -4.987 2.773 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.164 -6.534 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.773 -5.848 4.546 1.00 0.00 H new ATOM 970 N CYS A 67 -15.849 -5.650 -3.582 1.00 0.00 N ATOM 971 CA CYS A 67 -15.516 -5.794 -4.994 1.00 0.00 C ATOM 972 C CYS A 67 -16.297 -6.945 -5.622 1.00 0.00 C ATOM 973 O CYS A 67 -15.911 -8.107 -5.504 1.00 0.00 O ATOM 974 CB CYS A 67 -14.014 -6.030 -5.163 1.00 0.00 C ATOM 975 SG CYS A 67 -13.567 -6.906 -6.697 1.00 0.00 S ATOM 0 H CYS A 67 -15.519 -6.413 -2.991 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.792 -4.871 -5.503 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.501 -5.068 -5.144 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.649 -6.603 -4.311 1.00 0.00 H new ATOM 980 N MET A 68 -17.396 -6.612 -6.290 1.00 0.00 N ATOM 981 CA MET A 68 -18.230 -7.617 -6.938 1.00 0.00 C ATOM 982 C MET A 68 -18.450 -7.275 -8.409 1.00 0.00 C ATOM 983 O MET A 68 -19.481 -7.616 -8.987 1.00 0.00 O ATOM 984 CB MET A 68 -19.577 -7.731 -6.222 1.00 0.00 C ATOM 985 CG MET A 68 -19.463 -8.216 -4.786 1.00 0.00 C ATOM 986 SD MET A 68 -19.372 -10.013 -4.666 1.00 0.00 S ATOM 987 CE MET A 68 -18.042 -10.205 -3.481 1.00 0.00 C ATOM 0 H MET A 68 -17.730 -5.654 -6.397 1.00 0.00 H new ATOM 0 HA MET A 68 -17.713 -8.575 -6.879 1.00 0.00 H new ATOM 0 HB2 MET A 68 -20.067 -6.757 -6.230 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.218 -8.415 -6.778 1.00 0.00 H new ATOM 0 HG2 MET A 68 -18.575 -7.780 -4.328 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.322 -7.861 -4.217 1.00 0.00 H new ATOM 0 HE1 MET A 68 -17.865 -11.265 -3.301 1.00 0.00 H new ATOM 0 HE2 MET A 68 -17.135 -9.748 -3.875 1.00 0.00 H new ATOM 0 HE3 MET A 68 -18.316 -9.719 -2.545 1.00 0.00 H new ATOM 997 N ARG A 69 -17.474 -6.600 -9.007 1.00 0.00 N ATOM 998 CA ARG A 69 -17.562 -6.211 -10.409 1.00 0.00 C ATOM 999 C ARG A 69 -17.707 -7.437 -11.305 1.00 0.00 C ATOM 1000 O ARG A 69 -17.318 -8.542 -10.928 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.324 -5.411 -10.817 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.157 -4.111 -10.047 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.019 -3.273 -10.608 1.00 0.00 C ATOM 1004 NE ARG A 69 -15.249 -1.843 -10.422 1.00 0.00 N ATOM 1005 CZ ARG A 69 -16.153 -1.149 -11.105 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -16.907 -1.750 -12.015 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -16.303 0.150 -10.879 1.00 0.00 N ATOM 0 H ARG A 69 -16.613 -6.311 -8.542 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.446 -5.586 -10.532 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.438 -6.028 -10.668 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -16.381 -5.188 -11.882 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.085 -3.541 -10.088 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.965 -4.331 -8.997 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.086 -3.556 -10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.902 -3.486 -11.670 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.685 -1.350 -9.730 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.794 -2.748 -12.192 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.600 -1.214 -12.538 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.724 0.616 -10.181 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.997 0.682 -11.404 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.269 -7.233 -12.493 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.465 -8.323 -13.441 1.00 0.00 C ATOM 1023 C GLU A 70 -17.126 -8.877 -13.919 1.00 0.00 C ATOM 1024 O GLU A 70 -16.451 -8.268 -14.749 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.289 -7.845 -14.639 1.00 0.00 C ATOM 1026 CG GLU A 70 -19.441 -8.891 -15.730 1.00 0.00 C ATOM 1027 CD GLU A 70 -20.128 -8.347 -16.967 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -19.472 -7.617 -17.739 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -21.323 -8.652 -17.164 1.00 0.00 O ATOM 0 H GLU A 70 -18.596 -6.324 -12.821 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.007 -9.120 -12.931 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.279 -7.547 -14.293 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -18.819 -6.957 -15.062 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.457 -9.272 -16.003 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -20.013 -9.734 -15.343 1.00 0.00 H new ATOM 1036 N LYS A 71 -16.748 -10.035 -13.389 1.00 0.00 N ATOM 1037 CA LYS A 71 -15.491 -10.673 -13.761 1.00 0.00 C ATOM 1038 C LYS A 71 -14.312 -9.736 -13.516 1.00 0.00 C ATOM 1039 O LYS A 71 -13.485 -9.518 -14.402 1.00 0.00 O ATOM 1040 CB LYS A 71 -15.524 -11.095 -15.232 1.00 0.00 C ATOM 1041 CG LYS A 71 -16.120 -12.474 -15.456 1.00 0.00 C ATOM 1042 CD LYS A 71 -15.159 -13.572 -15.030 1.00 0.00 C ATOM 1043 CE LYS A 71 -15.876 -14.901 -14.851 1.00 0.00 C ATOM 1044 NZ LYS A 71 -16.505 -15.367 -16.118 1.00 0.00 N ATOM 0 H LYS A 71 -17.295 -10.551 -12.700 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.364 -11.559 -13.139 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.100 -10.363 -15.798 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.509 -11.078 -15.629 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.050 -12.565 -14.895 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.370 -12.597 -16.510 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.373 -13.679 -15.777 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.674 -13.290 -14.095 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.168 -15.651 -14.500 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.641 -14.800 -14.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.910 -16.314 -15.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.258 -14.706 -16.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.786 -15.407 -16.868 1.00 0.00 H new ATOM 1058 N CYS A 72 -14.241 -9.185 -12.309 1.00 0.00 N ATOM 1059 CA CYS A 72 -13.163 -8.273 -11.947 1.00 0.00 C ATOM 1060 C CYS A 72 -11.831 -8.751 -12.518 1.00 0.00 C ATOM 1061 O CYS A 72 -11.437 -9.901 -12.325 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.063 -8.147 -10.426 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.596 -7.232 -9.850 1.00 0.00 S ATOM 0 H CYS A 72 -14.918 -9.354 -11.565 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.390 -7.295 -12.372 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -13.958 -7.649 -10.054 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.050 -9.146 -9.990 1.00 0.00 H new ATOM 1068 N LYS A 73 -11.141 -7.859 -13.220 1.00 0.00 N ATOM 1069 CA LYS A 73 -9.852 -8.187 -13.818 1.00 0.00 C ATOM 1070 C LYS A 73 -8.804 -7.138 -13.460 1.00 0.00 C ATOM 1071 O LYS A 73 -7.999 -6.739 -14.302 1.00 0.00 O ATOM 1072 CB LYS A 73 -9.985 -8.292 -15.339 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.367 -6.984 -16.009 1.00 0.00 C ATOM 1074 CD LYS A 73 -11.139 -7.220 -17.296 1.00 0.00 C ATOM 1075 CE LYS A 73 -11.502 -5.910 -17.977 1.00 0.00 C ATOM 1076 NZ LYS A 73 -10.307 -5.236 -18.556 1.00 0.00 N ATOM 0 H LYS A 73 -11.453 -6.903 -13.389 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.529 -9.149 -13.420 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.039 -8.640 -15.755 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.735 -9.046 -15.578 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.971 -6.387 -15.326 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.467 -6.408 -16.224 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.541 -7.830 -17.973 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.047 -7.782 -17.079 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.229 -6.100 -18.766 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.980 -5.246 -17.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.609 -4.410 -19.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.678 -4.925 -17.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.798 -5.901 -19.173 1.00 0.00 H new ATOM 1090 N TYR A 74 -8.818 -6.698 -12.207 1.00 0.00 N ATOM 1091 CA TYR A 74 -7.869 -5.695 -11.739 1.00 0.00 C ATOM 1092 C TYR A 74 -7.091 -6.204 -10.529 1.00 0.00 C ATOM 1093 O TYR A 74 -7.530 -7.121 -9.835 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.599 -4.399 -11.380 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.397 -3.817 -12.525 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -8.846 -3.705 -13.796 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -10.702 -3.379 -12.337 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -9.571 -3.173 -14.844 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -11.435 -2.847 -13.380 1.00 0.00 C ATOM 1100 CZ TYR A 74 -10.864 -2.746 -14.632 1.00 0.00 C ATOM 1101 OH TYR A 74 -11.590 -2.216 -15.674 1.00 0.00 O ATOM 0 H TYR A 74 -9.476 -7.020 -11.497 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.163 -5.496 -12.546 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.269 -4.589 -10.541 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.870 -3.662 -11.045 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.834 -4.040 -13.967 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.151 -3.456 -11.358 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.127 -3.092 -15.825 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -12.449 -2.512 -13.216 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.483 -1.965 -15.357 1.00 0.00 H new ATOM 1111 N PHE A 75 -5.932 -5.603 -10.284 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.090 -5.994 -9.159 1.00 0.00 C ATOM 1113 C PHE A 75 -5.683 -5.506 -7.840 1.00 0.00 C ATOM 1114 O PHE A 75 -6.406 -4.510 -7.803 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.677 -5.436 -9.334 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.843 -5.515 -8.087 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.209 -6.695 -7.734 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.694 -4.408 -7.267 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.440 -6.770 -6.588 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.927 -4.477 -6.119 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.300 -5.660 -5.779 1.00 0.00 C ATOM 0 H PHE A 75 -5.554 -4.843 -10.849 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.042 -7.083 -9.134 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.175 -5.983 -10.132 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.743 -4.396 -9.652 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.317 -7.567 -8.362 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.183 -3.481 -7.528 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.949 -7.696 -6.326 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.818 -3.607 -5.489 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.701 -5.717 -4.882 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.371 -6.214 -6.760 1.00 0.00 N ATOM 1132 CA HIS A 76 -5.872 -5.854 -5.438 1.00 0.00 C ATOM 1133 C HIS A 76 -4.720 -5.587 -4.475 1.00 0.00 C ATOM 1134 O HIS A 76 -4.048 -6.504 -4.003 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.766 -6.965 -4.888 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.153 -6.953 -5.452 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.259 -7.371 -4.742 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.612 -6.569 -6.667 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.337 -7.246 -5.495 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -9.971 -6.761 -6.668 1.00 0.00 N ATOM 0 H HIS A 76 -4.774 -7.041 -6.774 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.459 -4.941 -5.535 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.305 -7.930 -5.100 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.823 -6.871 -3.804 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.246 -7.722 -3.784 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.019 -6.183 -7.483 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.346 -7.497 -5.202 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.484 -4.301 -4.175 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.413 -3.884 -3.265 1.00 0.00 C ATOM 1150 C PRO A 77 -3.698 -4.271 -1.818 1.00 0.00 C ATOM 1151 O PRO A 77 -4.825 -4.603 -1.449 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.392 -2.361 -3.417 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.770 -2.005 -3.857 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.246 -3.155 -4.700 1.00 0.00 C ATOM 0 HA PRO A 77 -2.464 -4.363 -3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.138 -1.873 -2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.649 -2.047 -4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.426 -1.852 -3.000 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.770 -1.077 -4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.321 -3.308 -4.601 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.044 -2.989 -5.758 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.654 -4.227 -0.976 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.768 -4.570 0.444 1.00 0.00 C ATOM 1164 C PRO A 78 -3.568 -3.535 1.228 1.00 0.00 C ATOM 1165 O PRO A 78 -4.042 -2.547 0.666 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.314 -4.594 0.921 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.592 -3.693 -0.020 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.283 -3.840 -1.347 1.00 0.00 C ATOM 0 HA PRO A 78 -3.296 -5.512 0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.229 -4.243 1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.905 -5.604 0.894 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.626 -2.660 0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.460 -3.969 -0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.268 -2.909 -1.913 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.805 -4.598 -1.967 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.715 -3.767 2.528 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.456 -2.853 3.389 1.00 0.00 C ATOM 1178 C ALA A 79 -3.771 -1.492 3.463 1.00 0.00 C ATOM 1179 O ALA A 79 -4.346 -0.475 3.072 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.608 -3.446 4.782 1.00 0.00 C ATOM 0 H ALA A 79 -3.331 -4.580 3.009 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.447 -2.709 2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.163 -2.753 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.148 -4.391 4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.622 -3.620 5.213 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.541 -1.480 3.966 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.778 -0.244 4.091 1.00 0.00 C ATOM 1188 C HIS A 80 -1.929 0.617 2.840 1.00 0.00 C ATOM 1189 O HIS A 80 -2.150 1.825 2.928 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.301 -0.553 4.336 1.00 0.00 C ATOM 1191 CG HIS A 80 0.316 -1.406 3.271 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.290 -2.785 3.302 1.00 0.00 N ATOM 1193 CD2 HIS A 80 0.978 -1.069 2.140 1.00 0.00 C ATOM 1194 CE1 HIS A 80 0.911 -3.258 2.236 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.337 -2.237 1.514 1.00 0.00 N ATOM 0 H HIS A 80 -2.051 -2.313 4.294 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.171 0.311 4.943 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.251 0.384 4.405 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.198 -1.055 5.298 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.185 -0.067 1.794 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.047 -4.302 1.996 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.849 -2.305 0.635 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.809 -0.013 1.677 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.931 0.695 0.407 1.00 0.00 C ATOM 1205 C LEU A 81 -3.375 1.119 0.157 1.00 0.00 C ATOM 1206 O LEU A 81 -3.652 2.290 -0.096 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.441 -0.189 -0.741 1.00 0.00 C ATOM 1208 CG LEU A 81 0.064 -0.162 -1.013 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.443 -1.237 -2.019 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.492 1.211 -1.509 1.00 0.00 C ATOM 0 H LEU A 81 -1.627 -1.013 1.587 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.312 1.591 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.734 -1.218 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.960 0.111 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 81 0.587 -0.367 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.517 -1.203 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.172 -2.216 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.089 -1.063 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.566 1.211 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.038 1.446 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.256 1.961 -0.754 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.290 0.157 0.233 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.706 0.432 0.016 1.00 0.00 C ATOM 1224 C GLN A 82 -6.112 1.746 0.675 1.00 0.00 C ATOM 1225 O GLN A 82 -6.878 2.525 0.108 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.559 -0.713 0.564 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.730 -1.865 -0.413 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.534 -3.010 0.171 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.760 -3.046 0.054 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -6.848 -3.954 0.803 1.00 0.00 N ATOM 0 H GLN A 82 -4.076 -0.818 0.443 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.874 0.518 -1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.103 -1.089 1.480 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.542 -0.326 0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.224 -1.502 -1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.748 -2.231 -0.713 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.833 -3.884 0.876 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.336 -4.749 1.215 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.595 1.985 1.876 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.903 3.205 2.611 1.00 0.00 C ATOM 1241 C ALA A 83 -5.303 4.426 1.924 1.00 0.00 C ATOM 1242 O ALA A 83 -5.933 5.482 1.849 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.398 3.100 4.043 1.00 0.00 C ATOM 0 H ALA A 83 -4.961 1.349 2.360 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.986 3.326 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.635 4.018 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.879 2.256 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.318 2.951 4.038 1.00 0.00 H new ATOM 1249 N LYS A 84 -4.081 4.278 1.424 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.395 5.368 0.742 1.00 0.00 C ATOM 1251 C LYS A 84 -4.192 5.840 -0.469 1.00 0.00 C ATOM 1252 O LYS A 84 -4.414 7.038 -0.650 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.997 4.925 0.305 1.00 0.00 C ATOM 1254 CG LYS A 84 -1.086 4.555 1.463 1.00 0.00 C ATOM 1255 CD LYS A 84 0.377 4.770 1.113 1.00 0.00 C ATOM 1256 CE LYS A 84 1.252 4.785 2.357 1.00 0.00 C ATOM 1257 NZ LYS A 84 2.659 4.409 2.050 1.00 0.00 N ATOM 0 H LYS A 84 -3.545 3.412 1.479 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.304 6.199 1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.089 4.068 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.534 5.728 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.344 5.155 2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.247 3.512 1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.711 3.979 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.489 5.712 0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.231 5.779 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.845 4.095 3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.223 4.431 2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.682 3.450 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.057 5.082 1.364 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.621 4.892 -1.295 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.396 5.211 -2.488 1.00 0.00 C ATOM 1273 C ILE A 85 -6.666 5.975 -2.130 1.00 0.00 C ATOM 1274 O ILE A 85 -6.969 7.011 -2.723 1.00 0.00 O ATOM 1275 CB ILE A 85 -5.778 3.939 -3.268 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -4.586 3.437 -4.085 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -6.970 4.212 -4.173 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.549 1.933 -4.240 1.00 0.00 C ATOM 0 H ILE A 85 -4.445 3.896 -1.160 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.763 5.837 -3.117 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.057 3.163 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.615 3.895 -5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.664 3.768 -3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.229 3.304 -4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.821 4.527 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.716 5.000 -4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.678 1.649 -4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.488 1.467 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.454 1.597 -4.745 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.405 5.460 -1.154 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.641 6.094 -0.713 1.00 0.00 C ATOM 1292 C LYS A 86 -8.420 7.577 -0.428 1.00 0.00 C ATOM 1293 O LYS A 86 -9.219 8.421 -0.832 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.177 5.398 0.540 1.00 0.00 C ATOM 1295 CG LYS A 86 -10.142 4.264 0.240 1.00 0.00 C ATOM 1296 CD LYS A 86 -11.180 4.110 1.339 1.00 0.00 C ATOM 1297 CE LYS A 86 -11.642 2.667 1.471 1.00 0.00 C ATOM 1298 NZ LYS A 86 -12.843 2.546 2.343 1.00 0.00 N ATOM 0 H LYS A 86 -7.169 4.604 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.374 6.001 -1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.338 5.007 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.679 6.134 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.642 4.452 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.587 3.332 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.761 4.447 2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.036 4.749 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.869 2.267 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.833 2.063 1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.126 1.547 2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.619 2.904 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.623 3.102 1.938 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.331 7.885 0.268 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.004 9.266 0.603 1.00 0.00 C ATOM 1314 C ALA A 87 -7.280 10.196 -0.574 1.00 0.00 C ATOM 1315 O ALA A 87 -7.902 11.246 -0.415 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.549 9.374 1.034 1.00 0.00 C ATOM 0 H ALA A 87 -6.660 7.197 0.611 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.641 9.574 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.319 10.410 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.381 8.746 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.903 9.043 0.221 1.00 0.00 H new ATOM 1322 N ALA A 88 -6.812 9.804 -1.754 1.00 0.00 N ATOM 1323 CA ALA A 88 -7.009 10.603 -2.958 1.00 0.00 C ATOM 1324 C ALA A 88 -8.493 10.818 -3.237 1.00 0.00 C ATOM 1325 O ALA A 88 -8.935 11.945 -3.452 1.00 0.00 O ATOM 1326 CB ALA A 88 -6.337 9.937 -4.149 1.00 0.00 C ATOM 0 H ALA A 88 -6.294 8.938 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.551 11.579 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.492 10.544 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.268 9.841 -3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.768 8.948 -4.304 1.00 0.00 H new ATOM 1332 N GLN A 89 -9.255 9.729 -3.231 1.00 0.00 N ATOM 1333 CA GLN A 89 -10.689 9.799 -3.485 1.00 0.00 C ATOM 1334 C GLN A 89 -11.357 10.811 -2.560 1.00 0.00 C ATOM 1335 O GLN A 89 -11.933 11.799 -3.016 1.00 0.00 O ATOM 1336 CB GLN A 89 -11.329 8.422 -3.302 1.00 0.00 C ATOM 1337 CG GLN A 89 -10.765 7.360 -4.231 1.00 0.00 C ATOM 1338 CD GLN A 89 -10.619 7.851 -5.658 1.00 0.00 C ATOM 1339 OE1 GLN A 89 -11.497 7.635 -6.494 1.00 0.00 O ATOM 1340 NE2 GLN A 89 -9.506 8.516 -5.945 1.00 0.00 N ATOM 0 H GLN A 89 -8.903 8.788 -3.053 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.834 10.125 -4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.190 8.101 -2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.403 8.505 -3.468 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.792 7.038 -3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.417 6.486 -4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.804 8.672 -5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.353 8.870 -6.889 1.00 0.00 H new ATOM 1349 N HIS A 90 -11.276 10.558 -1.257 1.00 0.00 N ATOM 1350 CA HIS A 90 -11.872 11.447 -0.267 1.00 0.00 C ATOM 1351 C HIS A 90 -11.286 12.851 -0.375 1.00 0.00 C ATOM 1352 O HIS A 90 -10.273 13.061 -1.042 1.00 0.00 O ATOM 1353 CB HIS A 90 -11.652 10.896 1.142 1.00 0.00 C ATOM 1354 CG HIS A 90 -12.287 11.726 2.216 1.00 0.00 C ATOM 1355 ND1 HIS A 90 -13.652 11.820 2.386 1.00 0.00 N ATOM 1356 CD2 HIS A 90 -11.735 12.502 3.178 1.00 0.00 C ATOM 1357 CE1 HIS A 90 -13.913 12.619 3.405 1.00 0.00 C ATOM 1358 NE2 HIS A 90 -12.766 13.045 3.904 1.00 0.00 N ATOM 0 H HIS A 90 -10.803 9.745 -0.863 1.00 0.00 H new ATOM 0 HA HIS A 90 -12.943 11.504 -0.463 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.051 9.883 1.193 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.581 10.827 1.333 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.680 12.664 3.344 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.896 12.880 3.768 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -12.663 13.675 4.700 1.00 0.00 H new ATOM 1366 N GLN A 91 -11.930 13.809 0.285 1.00 0.00 N ATOM 1367 CA GLN A 91 -11.472 15.193 0.262 1.00 0.00 C ATOM 1368 C GLN A 91 -10.527 15.473 1.425 1.00 0.00 C ATOM 1369 O GLN A 91 -10.959 15.620 2.568 1.00 0.00 O ATOM 1370 CB GLN A 91 -12.666 16.148 0.318 1.00 0.00 C ATOM 1371 CG GLN A 91 -12.340 17.557 -0.150 1.00 0.00 C ATOM 1372 CD GLN A 91 -11.809 18.434 0.966 1.00 0.00 C ATOM 1373 OE1 GLN A 91 -11.169 17.951 1.900 1.00 0.00 O ATOM 1374 NE2 GLN A 91 -12.072 19.733 0.876 1.00 0.00 N ATOM 0 H GLN A 91 -12.770 13.652 0.842 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.930 15.355 -0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -13.471 15.747 -0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -13.039 16.191 1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -11.602 17.508 -0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.237 18.013 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.606 20.092 0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.740 20.372 1.598 1.00 0.00 H new ATOM 1383 N ALA A 92 -9.234 15.546 1.126 1.00 0.00 N ATOM 1384 CA ALA A 92 -8.227 15.811 2.146 1.00 0.00 C ATOM 1385 C ALA A 92 -7.328 16.974 1.742 1.00 0.00 C ATOM 1386 O ALA A 92 -7.071 17.189 0.558 1.00 0.00 O ATOM 1387 CB ALA A 92 -7.396 14.563 2.403 1.00 0.00 C ATOM 0 H ALA A 92 -8.859 15.425 0.185 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.742 16.088 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.648 14.775 3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.046 13.757 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.898 14.261 1.481 1.00 0.00 H new ATOM 1393 N ASN A 93 -6.852 17.721 2.733 1.00 0.00 N ATOM 1394 CA ASN A 93 -5.982 18.863 2.479 1.00 0.00 C ATOM 1395 C ASN A 93 -4.524 18.425 2.378 1.00 0.00 C ATOM 1396 O ASN A 93 -3.630 19.083 2.908 1.00 0.00 O ATOM 1397 CB ASN A 93 -6.137 19.905 3.589 1.00 0.00 C ATOM 1398 CG ASN A 93 -5.672 21.283 3.158 1.00 0.00 C ATOM 1399 OD1 ASN A 93 -4.693 21.812 3.685 1.00 0.00 O ATOM 1400 ND2 ASN A 93 -6.373 21.870 2.195 1.00 0.00 N ATOM 0 H ASN A 93 -7.054 17.556 3.719 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.276 19.307 1.528 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.183 19.956 3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.567 19.589 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.107 22.797 1.863 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.177 21.394 1.787 1.00 0.00 H new ATOM 1407 N GLN A 94 -4.294 17.310 1.692 1.00 0.00 N ATOM 1408 CA GLN A 94 -2.945 16.784 1.521 1.00 0.00 C ATOM 1409 C GLN A 94 -2.230 17.482 0.369 1.00 0.00 C ATOM 1410 O GLN A 94 -1.129 18.005 0.534 1.00 0.00 O ATOM 1411 CB GLN A 94 -2.991 15.275 1.270 1.00 0.00 C ATOM 1412 CG GLN A 94 -1.636 14.597 1.391 1.00 0.00 C ATOM 1413 CD GLN A 94 -1.156 14.504 2.826 1.00 0.00 C ATOM 1414 OE1 GLN A 94 -1.412 13.517 3.516 1.00 0.00 O ATOM 1415 NE2 GLN A 94 -0.454 15.534 3.283 1.00 0.00 N ATOM 0 H GLN A 94 -5.024 16.754 1.246 1.00 0.00 H new ATOM 0 HA GLN A 94 -2.389 16.976 2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.681 14.818 1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.391 15.093 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.696 13.595 0.966 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.904 15.149 0.802 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.265 16.332 2.676 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.103 15.527 4.241 1.00 0.00 H new ATOM 1424 N ALA A 95 -2.865 17.485 -0.799 1.00 0.00 N ATOM 1425 CA ALA A 95 -2.291 18.120 -1.979 1.00 0.00 C ATOM 1426 C ALA A 95 -1.002 17.423 -2.405 1.00 0.00 C ATOM 1427 O ALA A 95 0.010 18.074 -2.661 1.00 0.00 O ATOM 1428 CB ALA A 95 -2.032 19.595 -1.711 1.00 0.00 C ATOM 0 H ALA A 95 -3.777 17.055 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.008 18.031 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.603 20.057 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.971 20.090 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.336 19.697 -0.878 1.00 0.00 H new ATOM 1434 N ALA A 96 -1.048 16.097 -2.477 1.00 0.00 N ATOM 1435 CA ALA A 96 0.115 15.313 -2.873 1.00 0.00 C ATOM 1436 C ALA A 96 -0.035 14.790 -4.297 1.00 0.00 C ATOM 1437 O ALA A 96 -1.147 14.668 -4.811 1.00 0.00 O ATOM 1438 CB ALA A 96 0.329 14.159 -1.904 1.00 0.00 C ATOM 0 H ALA A 96 -1.878 15.543 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 96 0.989 15.964 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.201 13.582 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.490 14.552 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.551 13.515 -1.905 1.00 0.00 H new ATOM 1444 N VAL A 97 1.092 14.482 -4.931 1.00 0.00 N ATOM 1445 CA VAL A 97 1.086 13.971 -6.297 1.00 0.00 C ATOM 1446 C VAL A 97 1.934 12.709 -6.415 1.00 0.00 C ATOM 1447 O VAL A 97 3.118 12.773 -6.743 1.00 0.00 O ATOM 1448 CB VAL A 97 1.610 15.023 -7.292 1.00 0.00 C ATOM 1449 CG1 VAL A 97 1.642 14.454 -8.703 1.00 0.00 C ATOM 1450 CG2 VAL A 97 0.756 16.281 -7.235 1.00 0.00 C ATOM 0 H VAL A 97 2.021 14.577 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 97 0.051 13.734 -6.542 1.00 0.00 H new ATOM 0 HB VAL A 97 2.629 15.289 -7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.015 15.211 -9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.298 13.584 -8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.636 14.158 -8.999 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.140 17.014 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.274 16.033 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.789 16.698 -6.228 1.00 0.00 H new ATOM 1460 N ALA A 98 1.318 11.562 -6.146 1.00 0.00 N ATOM 1461 CA ALA A 98 2.016 10.284 -6.225 1.00 0.00 C ATOM 1462 C ALA A 98 1.126 9.211 -6.842 1.00 0.00 C ATOM 1463 O ALA A 98 -0.096 9.338 -6.787 1.00 0.00 O ATOM 1464 CB ALA A 98 2.485 9.853 -4.843 1.00 0.00 C ATOM 0 H ALA A 98 0.338 11.492 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 98 2.886 10.412 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.004 8.898 -4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.163 10.604 -4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.624 9.748 -4.183 1.00 0.00 H new TER 1470 ALA A 98 HETATM 1471 ZN ZN A 201 9.183 -3.481 -4.260 1.00 0.00 ZN HETATM 1472 ZN ZN A 401 -11.658 -6.346 -7.760 1.00 0.00 ZN