USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=22 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 165:sc= -0.0541 USER MOD Set 1.2: A 82 GLN : amide:sc= -2.38 K(o=-2.4,f=-0.53) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.96 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 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= -0.0267 USER MOD Single : A 12 GLN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.0657 (180deg=-0.449) USER MOD Single : A 17 THR OG1 : rot -18:sc= 0.21 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0306 K(o=-0.031,f=-2.9!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0636 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -164:sc= -1.51 (180deg=-2.44) 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= -3.33! C(o=-3.3!,f=-4.9!) 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 60 MET CE :methyl -144:sc= -1.46 (180deg=-4.12!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -0.0145 (180deg=-0.187) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -13! C(o=-13!,f=-11!) USER MOD Single : A 84 LYS NZ :NH3+ 150:sc= -0.136 (180deg=-0.675) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -2.22 K(o=-2.2,f=-0.68) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 91 GLN : amide:sc= -0.169 K(o=-0.17,f=-2.2!) USER MOD Single : A 93 ASN : amide:sc= 0.252 K(o=0.25,f=-2.5!) USER MOD Single : A 94 GLN : amide:sc= -0.142 K(o=-0.14,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.548 40.086 8.660 1.00 0.00 N ATOM 2 CA GLY A 1 3.648 39.069 7.629 1.00 0.00 C ATOM 3 C GLY A 1 2.327 38.821 6.929 1.00 0.00 C ATOM 4 O GLY A 1 1.498 38.048 7.411 1.00 0.00 O ATOM 0 H1 GLY A 1 4.477 40.218 9.108 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.238 40.983 8.234 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.857 39.786 9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.393 39.373 6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.000 38.138 8.074 1.00 0.00 H new ATOM 8 N SER A 2 2.128 39.477 5.791 1.00 0.00 N ATOM 9 CA SER A 2 0.895 39.328 5.027 1.00 0.00 C ATOM 10 C SER A 2 1.158 39.495 3.533 1.00 0.00 C ATOM 11 O SER A 2 1.604 40.551 3.085 1.00 0.00 O ATOM 12 CB SER A 2 -0.144 40.349 5.491 1.00 0.00 C ATOM 13 OG SER A 2 0.188 41.653 5.046 1.00 0.00 O ATOM 0 H SER A 2 2.805 40.118 5.377 1.00 0.00 H new ATOM 0 HA SER A 2 0.509 38.324 5.200 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.127 40.071 5.111 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.208 40.338 6.579 1.00 0.00 H new ATOM 0 HG SER A 2 0.827 41.593 4.305 1.00 0.00 H new ATOM 19 N SER A 3 0.878 38.445 2.768 1.00 0.00 N ATOM 20 CA SER A 3 1.087 38.472 1.325 1.00 0.00 C ATOM 21 C SER A 3 0.529 37.212 0.671 1.00 0.00 C ATOM 22 O SER A 3 0.192 36.244 1.351 1.00 0.00 O ATOM 23 CB SER A 3 2.578 38.608 1.007 1.00 0.00 C ATOM 24 OG SER A 3 2.776 39.192 -0.268 1.00 0.00 O ATOM 0 H SER A 3 0.506 37.564 3.124 1.00 0.00 H new ATOM 0 HA SER A 3 0.556 39.335 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.061 39.219 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.051 37.626 1.038 1.00 0.00 H new ATOM 0 HG SER A 3 3.736 39.270 -0.447 1.00 0.00 H new ATOM 30 N GLY A 4 0.434 37.234 -0.655 1.00 0.00 N ATOM 31 CA GLY A 4 -0.084 36.089 -1.380 1.00 0.00 C ATOM 32 C GLY A 4 -0.469 36.431 -2.806 1.00 0.00 C ATOM 33 O GLY A 4 -1.549 36.967 -3.053 1.00 0.00 O ATOM 0 H GLY A 4 0.706 38.024 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.667 35.299 -1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.955 35.695 -0.856 1.00 0.00 H new ATOM 37 N SER A 5 0.418 36.122 -3.747 1.00 0.00 N ATOM 38 CA SER A 5 0.168 36.405 -5.155 1.00 0.00 C ATOM 39 C SER A 5 0.138 35.116 -5.971 1.00 0.00 C ATOM 40 O SER A 5 1.028 34.274 -5.856 1.00 0.00 O ATOM 41 CB SER A 5 1.241 37.346 -5.706 1.00 0.00 C ATOM 42 OG SER A 5 1.149 38.628 -5.111 1.00 0.00 O ATOM 0 H SER A 5 1.316 35.676 -3.559 1.00 0.00 H new ATOM 0 HA SER A 5 -0.806 36.889 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.229 36.925 -5.519 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.131 37.435 -6.787 1.00 0.00 H new ATOM 0 HG SER A 5 1.846 39.210 -5.479 1.00 0.00 H new ATOM 48 N SER A 6 -0.894 34.970 -6.797 1.00 0.00 N ATOM 49 CA SER A 6 -1.044 33.783 -7.630 1.00 0.00 C ATOM 50 C SER A 6 -0.412 33.999 -9.002 1.00 0.00 C ATOM 51 O SER A 6 0.049 35.094 -9.321 1.00 0.00 O ATOM 52 CB SER A 6 -2.524 33.428 -7.788 1.00 0.00 C ATOM 53 OG SER A 6 -3.075 32.984 -6.561 1.00 0.00 O ATOM 0 H SER A 6 -1.638 35.659 -6.907 1.00 0.00 H new ATOM 0 HA SER A 6 -0.530 32.957 -7.138 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.074 34.299 -8.143 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.636 32.650 -8.543 1.00 0.00 H new ATOM 0 HG SER A 6 -4.022 32.765 -6.688 1.00 0.00 H new ATOM 59 N GLY A 7 -0.394 32.944 -9.811 1.00 0.00 N ATOM 60 CA GLY A 7 0.184 33.037 -11.139 1.00 0.00 C ATOM 61 C GLY A 7 -0.614 32.268 -12.174 1.00 0.00 C ATOM 62 O GLY A 7 -1.799 32.532 -12.376 1.00 0.00 O ATOM 0 H GLY A 7 -0.769 32.027 -9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.242 34.085 -11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.205 32.656 -11.115 1.00 0.00 H new ATOM 66 N SER A 8 0.038 31.315 -12.832 1.00 0.00 N ATOM 67 CA SER A 8 -0.617 30.508 -13.855 1.00 0.00 C ATOM 68 C SER A 8 -1.203 29.236 -13.251 1.00 0.00 C ATOM 69 O SER A 8 -0.783 28.790 -12.183 1.00 0.00 O ATOM 70 CB SER A 8 0.375 30.150 -14.964 1.00 0.00 C ATOM 71 OG SER A 8 0.959 31.315 -15.522 1.00 0.00 O ATOM 0 H SER A 8 1.019 31.083 -12.675 1.00 0.00 H new ATOM 0 HA SER A 8 -1.431 31.095 -14.280 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.156 29.504 -14.563 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.135 29.586 -15.745 1.00 0.00 H new ATOM 0 HG SER A 8 1.590 31.059 -16.227 1.00 0.00 H new ATOM 77 N THR A 9 -2.178 28.654 -13.944 1.00 0.00 N ATOM 78 CA THR A 9 -2.824 27.434 -13.477 1.00 0.00 C ATOM 79 C THR A 9 -3.422 26.649 -14.639 1.00 0.00 C ATOM 80 O THR A 9 -3.770 27.221 -15.672 1.00 0.00 O ATOM 81 CB THR A 9 -3.934 27.742 -12.455 1.00 0.00 C ATOM 82 OG1 THR A 9 -4.440 26.523 -11.899 1.00 0.00 O ATOM 83 CG2 THR A 9 -5.069 28.518 -13.105 1.00 0.00 C ATOM 0 H THR A 9 -2.537 29.009 -14.830 1.00 0.00 H new ATOM 0 HA THR A 9 -2.053 26.833 -12.995 1.00 0.00 H new ATOM 0 HB THR A 9 -3.506 28.353 -11.661 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.144 26.728 -11.249 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.841 28.724 -12.363 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.687 29.459 -13.501 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.494 27.929 -13.917 1.00 0.00 H new ATOM 91 N ALA A 10 -3.540 25.337 -14.463 1.00 0.00 N ATOM 92 CA ALA A 10 -4.099 24.475 -15.497 1.00 0.00 C ATOM 93 C ALA A 10 -4.325 23.062 -14.970 1.00 0.00 C ATOM 94 O ALA A 10 -3.501 22.525 -14.229 1.00 0.00 O ATOM 95 CB ALA A 10 -3.185 24.447 -16.712 1.00 0.00 C ATOM 0 H ALA A 10 -3.256 24.848 -13.614 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.065 24.884 -15.793 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.615 23.799 -17.476 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.078 25.456 -17.110 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.206 24.065 -16.422 1.00 0.00 H new ATOM 101 N THR A 11 -5.448 22.464 -15.356 1.00 0.00 N ATOM 102 CA THR A 11 -5.783 21.114 -14.921 1.00 0.00 C ATOM 103 C THR A 11 -6.591 20.378 -15.984 1.00 0.00 C ATOM 104 O THR A 11 -7.683 20.808 -16.354 1.00 0.00 O ATOM 105 CB THR A 11 -6.584 21.131 -13.605 1.00 0.00 C ATOM 106 OG1 THR A 11 -5.894 21.910 -12.622 1.00 0.00 O ATOM 107 CG2 THR A 11 -6.795 19.718 -13.082 1.00 0.00 C ATOM 0 H THR A 11 -6.141 22.894 -15.969 1.00 0.00 H new ATOM 0 HA THR A 11 -4.840 20.591 -14.758 1.00 0.00 H new ATOM 0 HB THR A 11 -7.558 21.577 -13.804 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.410 21.917 -11.789 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.363 19.755 -12.152 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.346 19.135 -13.820 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.828 19.250 -12.898 1.00 0.00 H new ATOM 115 N GLN A 12 -6.046 19.268 -16.471 1.00 0.00 N ATOM 116 CA GLN A 12 -6.717 18.473 -17.493 1.00 0.00 C ATOM 117 C GLN A 12 -7.553 17.366 -16.859 1.00 0.00 C ATOM 118 O GLN A 12 -7.170 16.791 -15.840 1.00 0.00 O ATOM 119 CB GLN A 12 -5.692 17.868 -18.454 1.00 0.00 C ATOM 120 CG GLN A 12 -5.323 18.787 -19.607 1.00 0.00 C ATOM 121 CD GLN A 12 -4.390 18.127 -20.604 1.00 0.00 C ATOM 122 OE1 GLN A 12 -4.681 18.067 -21.799 1.00 0.00 O ATOM 123 NE2 GLN A 12 -3.261 17.627 -20.116 1.00 0.00 N ATOM 0 H GLN A 12 -5.142 18.899 -16.175 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.382 19.132 -18.051 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.789 17.616 -17.898 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.089 16.936 -18.856 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.231 19.103 -20.120 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.850 19.686 -19.213 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.060 17.699 -19.119 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.594 17.171 -20.739 1.00 0.00 H new ATOM 132 N LYS A 13 -8.696 17.072 -17.469 1.00 0.00 N ATOM 133 CA LYS A 13 -9.587 16.034 -16.966 1.00 0.00 C ATOM 134 C LYS A 13 -9.110 14.651 -17.399 1.00 0.00 C ATOM 135 O LYS A 13 -9.910 13.804 -17.798 1.00 0.00 O ATOM 136 CB LYS A 13 -11.014 16.271 -17.465 1.00 0.00 C ATOM 137 CG LYS A 13 -11.708 17.441 -16.788 1.00 0.00 C ATOM 138 CD LYS A 13 -13.138 17.599 -17.276 1.00 0.00 C ATOM 139 CE LYS A 13 -13.612 19.039 -17.156 1.00 0.00 C ATOM 140 NZ LYS A 13 -12.876 19.944 -18.082 1.00 0.00 N ATOM 0 H LYS A 13 -9.027 17.539 -18.313 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.577 16.079 -15.877 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.990 16.447 -18.540 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.602 15.367 -17.303 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.705 17.291 -15.708 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.152 18.358 -16.984 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.206 17.278 -18.315 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.795 16.949 -16.698 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.679 19.089 -17.371 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.477 19.381 -16.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.456 20.784 -18.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.981 20.238 -17.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.676 19.443 -18.971 1.00 0.00 H new ATOM 154 N LEU A 14 -7.803 14.429 -17.316 1.00 0.00 N ATOM 155 CA LEU A 14 -7.219 13.148 -17.698 1.00 0.00 C ATOM 156 C LEU A 14 -6.190 12.690 -16.669 1.00 0.00 C ATOM 157 O LEU A 14 -5.078 13.217 -16.610 1.00 0.00 O ATOM 158 CB LEU A 14 -6.566 13.253 -19.077 1.00 0.00 C ATOM 159 CG LEU A 14 -7.485 13.675 -20.224 1.00 0.00 C ATOM 160 CD1 LEU A 14 -6.680 13.917 -21.492 1.00 0.00 C ATOM 161 CD2 LEU A 14 -8.556 12.621 -20.464 1.00 0.00 C ATOM 0 H LEU A 14 -7.128 15.119 -16.988 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.020 12.410 -17.738 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.745 13.967 -19.015 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.129 12.286 -19.325 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.976 14.608 -19.946 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.351 14.216 -22.297 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.951 14.707 -21.315 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.161 13.001 -21.774 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.201 12.938 -21.284 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.083 11.673 -20.720 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.153 12.496 -19.560 1.00 0.00 H new ATOM 173 N LEU A 15 -6.566 11.705 -15.861 1.00 0.00 N ATOM 174 CA LEU A 15 -5.675 11.174 -14.836 1.00 0.00 C ATOM 175 C LEU A 15 -5.997 9.713 -14.538 1.00 0.00 C ATOM 176 O LEU A 15 -6.961 9.159 -15.068 1.00 0.00 O ATOM 177 CB LEU A 15 -5.787 12.004 -13.556 1.00 0.00 C ATOM 178 CG LEU A 15 -6.306 13.432 -13.725 1.00 0.00 C ATOM 179 CD1 LEU A 15 -7.812 13.432 -13.935 1.00 0.00 C ATOM 180 CD2 LEU A 15 -5.934 14.281 -12.518 1.00 0.00 C ATOM 0 H LEU A 15 -7.482 11.258 -15.896 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.653 11.232 -15.212 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.445 11.479 -12.863 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.803 12.049 -13.089 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.837 13.866 -14.608 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.163 14.457 -14.053 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.054 12.860 -14.831 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.300 12.979 -13.072 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.311 15.294 -12.656 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.374 13.849 -11.619 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.849 14.309 -12.413 1.00 0.00 H new ATOM 192 N ARG A 16 -5.186 9.095 -13.686 1.00 0.00 N ATOM 193 CA ARG A 16 -5.385 7.699 -13.317 1.00 0.00 C ATOM 194 C ARG A 16 -4.968 7.454 -11.869 1.00 0.00 C ATOM 195 O ARG A 16 -3.808 7.649 -11.504 1.00 0.00 O ATOM 196 CB ARG A 16 -4.589 6.784 -14.249 1.00 0.00 C ATOM 197 CG ARG A 16 -5.119 6.758 -15.674 1.00 0.00 C ATOM 198 CD ARG A 16 -4.409 7.777 -16.551 1.00 0.00 C ATOM 199 NE ARG A 16 -4.861 7.714 -17.938 1.00 0.00 N ATOM 200 CZ ARG A 16 -4.723 8.714 -18.802 1.00 0.00 C ATOM 201 NH1 ARG A 16 -4.147 9.847 -18.424 1.00 0.00 N ATOM 202 NH2 ARG A 16 -5.160 8.581 -20.048 1.00 0.00 N ATOM 0 H ARG A 16 -4.385 9.539 -13.238 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.447 7.472 -13.415 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.549 7.109 -14.263 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.601 5.771 -13.847 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.988 5.761 -16.094 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.189 6.964 -15.669 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.584 8.778 -16.158 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.334 7.603 -16.512 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.307 6.856 -18.261 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.808 9.953 -17.468 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.043 10.613 -19.090 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.602 7.711 -20.343 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.054 9.349 -20.710 1.00 0.00 H new ATOM 216 N THR A 17 -5.922 7.026 -11.048 1.00 0.00 N ATOM 217 CA THR A 17 -5.655 6.757 -9.641 1.00 0.00 C ATOM 218 C THR A 17 -5.668 5.259 -9.356 1.00 0.00 C ATOM 219 O THR A 17 -5.127 4.805 -8.347 1.00 0.00 O ATOM 220 CB THR A 17 -6.686 7.450 -8.731 1.00 0.00 C ATOM 221 OG1 THR A 17 -6.411 7.146 -7.359 1.00 0.00 O ATOM 222 CG2 THR A 17 -8.100 7.008 -9.080 1.00 0.00 C ATOM 0 H THR A 17 -6.887 6.858 -11.334 1.00 0.00 H new ATOM 0 HA THR A 17 -4.664 7.157 -9.425 1.00 0.00 H new ATOM 0 HB THR A 17 -6.610 8.526 -8.887 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.825 6.362 -7.309 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.811 7.511 -8.424 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.317 7.267 -10.116 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.187 5.929 -8.950 1.00 0.00 H new ATOM 230 N ASP A 18 -6.287 4.497 -10.250 1.00 0.00 N ATOM 231 CA ASP A 18 -6.368 3.049 -10.096 1.00 0.00 C ATOM 232 C ASP A 18 -5.226 2.359 -10.836 1.00 0.00 C ATOM 233 O ASP A 18 -5.435 1.367 -11.535 1.00 0.00 O ATOM 234 CB ASP A 18 -7.712 2.534 -10.612 1.00 0.00 C ATOM 235 CG ASP A 18 -8.146 3.228 -11.889 1.00 0.00 C ATOM 236 OD1 ASP A 18 -7.784 2.741 -12.981 1.00 0.00 O ATOM 237 OD2 ASP A 18 -8.847 4.256 -11.796 1.00 0.00 O ATOM 0 H ASP A 18 -6.740 4.858 -11.089 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.282 2.816 -9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.642 1.461 -10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.473 2.681 -9.845 1.00 0.00 H new ATOM 242 N LYS A 19 -4.019 2.890 -10.677 1.00 0.00 N ATOM 243 CA LYS A 19 -2.843 2.326 -11.329 1.00 0.00 C ATOM 244 C LYS A 19 -1.701 2.148 -10.333 1.00 0.00 C ATOM 245 O LYS A 19 -1.215 3.118 -9.751 1.00 0.00 O ATOM 246 CB LYS A 19 -2.392 3.227 -12.482 1.00 0.00 C ATOM 247 CG LYS A 19 -3.255 3.102 -13.725 1.00 0.00 C ATOM 248 CD LYS A 19 -2.838 4.095 -14.796 1.00 0.00 C ATOM 249 CE LYS A 19 -1.589 3.632 -15.529 1.00 0.00 C ATOM 250 NZ LYS A 19 -1.045 4.692 -16.423 1.00 0.00 N ATOM 0 H LYS A 19 -3.829 3.711 -10.102 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.113 1.347 -11.725 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.401 4.264 -12.146 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.361 2.984 -12.740 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.182 2.088 -14.119 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.300 3.267 -13.462 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.652 4.226 -15.509 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.654 5.068 -14.340 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.828 3.343 -14.804 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.821 2.745 -16.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.194 4.337 -16.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.761 4.950 -17.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.799 5.530 -15.858 1.00 0.00 H new ATOM 264 N LEU A 20 -1.277 0.903 -10.143 1.00 0.00 N ATOM 265 CA LEU A 20 -0.191 0.598 -9.218 1.00 0.00 C ATOM 266 C LEU A 20 1.116 0.369 -9.970 1.00 0.00 C ATOM 267 O LEU A 20 1.149 -0.344 -10.972 1.00 0.00 O ATOM 268 CB LEU A 20 -0.537 -0.638 -8.385 1.00 0.00 C ATOM 269 CG LEU A 20 -1.257 -0.375 -7.061 1.00 0.00 C ATOM 270 CD1 LEU A 20 -2.033 -1.607 -6.622 1.00 0.00 C ATOM 271 CD2 LEU A 20 -0.262 0.042 -5.988 1.00 0.00 C ATOM 0 H LEU A 20 -1.669 0.089 -10.617 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.061 1.452 -8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.160 -1.296 -8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.385 -1.178 -8.173 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.965 0.441 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.539 -1.401 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.772 -1.861 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.345 -2.442 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.791 0.225 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.470 -0.753 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.249 0.953 -6.300 1.00 0.00 H new ATOM 283 N GLU A 21 2.190 0.977 -9.477 1.00 0.00 N ATOM 284 CA GLU A 21 3.500 0.838 -10.102 1.00 0.00 C ATOM 285 C GLU A 21 4.180 -0.454 -9.658 1.00 0.00 C ATOM 286 O GLU A 21 4.581 -0.592 -8.502 1.00 0.00 O ATOM 287 CB GLU A 21 4.385 2.038 -9.757 1.00 0.00 C ATOM 288 CG GLU A 21 4.243 3.198 -10.728 1.00 0.00 C ATOM 289 CD GLU A 21 4.703 4.515 -10.134 1.00 0.00 C ATOM 290 OE1 GLU A 21 4.001 5.043 -9.246 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.765 5.018 -10.557 1.00 0.00 O ATOM 0 H GLU A 21 2.179 1.570 -8.647 1.00 0.00 H new ATOM 0 HA GLU A 21 3.357 0.801 -11.182 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.139 2.383 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.426 1.717 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.822 2.987 -11.627 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.200 3.286 -11.033 1.00 0.00 H new ATOM 298 N VAL A 22 4.307 -1.398 -10.585 1.00 0.00 N ATOM 299 CA VAL A 22 4.938 -2.679 -10.291 1.00 0.00 C ATOM 300 C VAL A 22 6.429 -2.507 -10.018 1.00 0.00 C ATOM 301 O VAL A 22 7.138 -1.848 -10.779 1.00 0.00 O ATOM 302 CB VAL A 22 4.752 -3.676 -11.450 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.683 -4.867 -11.285 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.302 -4.130 -11.533 1.00 0.00 C ATOM 0 H VAL A 22 3.981 -1.300 -11.546 1.00 0.00 H new ATOM 0 HA VAL A 22 4.451 -3.075 -9.400 1.00 0.00 H new ATOM 0 HB VAL A 22 5.006 -3.174 -12.383 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.537 -5.560 -12.113 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.717 -4.522 -11.278 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.463 -5.373 -10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.188 -4.834 -12.357 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.019 -4.615 -10.599 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.659 -3.266 -11.702 1.00 0.00 H new ATOM 314 N CYS A 23 6.897 -3.104 -8.928 1.00 0.00 N ATOM 315 CA CYS A 23 8.304 -3.018 -8.553 1.00 0.00 C ATOM 316 C CYS A 23 9.188 -3.691 -9.598 1.00 0.00 C ATOM 317 O CYS A 23 8.794 -4.682 -10.214 1.00 0.00 O ATOM 318 CB CYS A 23 8.529 -3.666 -7.185 1.00 0.00 C ATOM 319 SG CYS A 23 9.883 -2.918 -6.222 1.00 0.00 S ATOM 0 H CYS A 23 6.323 -3.653 -8.288 1.00 0.00 H new ATOM 0 HA CYS A 23 8.576 -1.964 -8.498 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.607 -3.600 -6.607 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.741 -4.726 -7.327 1.00 0.00 H new ATOM 324 N ARG A 24 10.384 -3.146 -9.793 1.00 0.00 N ATOM 325 CA ARG A 24 11.324 -3.693 -10.765 1.00 0.00 C ATOM 326 C ARG A 24 12.240 -4.725 -10.113 1.00 0.00 C ATOM 327 O ARG A 24 12.684 -5.671 -10.762 1.00 0.00 O ATOM 328 CB ARG A 24 12.159 -2.572 -11.385 1.00 0.00 C ATOM 329 CG ARG A 24 11.327 -1.491 -12.054 1.00 0.00 C ATOM 330 CD ARG A 24 12.147 -0.698 -13.059 1.00 0.00 C ATOM 331 NE ARG A 24 13.353 -0.133 -12.458 1.00 0.00 N ATOM 332 CZ ARG A 24 13.354 0.958 -11.701 1.00 0.00 C ATOM 333 NH1 ARG A 24 12.220 1.598 -11.453 1.00 0.00 N ATOM 334 NH2 ARG A 24 14.491 1.411 -11.189 1.00 0.00 N ATOM 0 H ARG A 24 10.725 -2.326 -9.291 1.00 0.00 H new ATOM 0 HA ARG A 24 10.751 -4.186 -11.550 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.774 -2.117 -10.609 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.840 -3.002 -12.120 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.474 -1.946 -12.557 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.927 -0.817 -11.296 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.426 -1.345 -13.891 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.537 0.106 -13.471 1.00 0.00 H new ATOM 0 HE ARG A 24 14.242 -0.602 -12.629 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.343 1.253 -11.844 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.224 2.436 -10.871 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.366 0.921 -11.377 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.490 2.249 -10.608 1.00 0.00 H new ATOM 348 N GLU A 25 12.519 -4.533 -8.827 1.00 0.00 N ATOM 349 CA GLU A 25 13.384 -5.447 -8.090 1.00 0.00 C ATOM 350 C GLU A 25 12.683 -6.779 -7.842 1.00 0.00 C ATOM 351 O GLU A 25 13.169 -7.834 -8.249 1.00 0.00 O ATOM 352 CB GLU A 25 13.802 -4.823 -6.757 1.00 0.00 C ATOM 353 CG GLU A 25 14.764 -3.656 -6.906 1.00 0.00 C ATOM 354 CD GLU A 25 14.050 -2.333 -7.104 1.00 0.00 C ATOM 355 OE1 GLU A 25 13.277 -1.936 -6.207 1.00 0.00 O ATOM 356 OE2 GLU A 25 14.263 -1.695 -8.156 1.00 0.00 O ATOM 0 H GLU A 25 12.159 -3.754 -8.275 1.00 0.00 H new ATOM 0 HA GLU A 25 14.273 -5.631 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.911 -4.483 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.267 -5.589 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.395 -3.595 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.423 -3.839 -7.755 1.00 0.00 H new ATOM 363 N PHE A 26 11.537 -6.723 -7.172 1.00 0.00 N ATOM 364 CA PHE A 26 10.768 -7.924 -6.868 1.00 0.00 C ATOM 365 C PHE A 26 10.690 -8.842 -8.085 1.00 0.00 C ATOM 366 O PHE A 26 10.834 -10.058 -7.968 1.00 0.00 O ATOM 367 CB PHE A 26 9.359 -7.551 -6.405 1.00 0.00 C ATOM 368 CG PHE A 26 8.331 -8.606 -6.700 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.708 -8.657 -7.936 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.989 -9.546 -5.742 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.762 -9.627 -8.212 1.00 0.00 C ATOM 372 CE2 PHE A 26 7.045 -10.518 -6.012 1.00 0.00 C ATOM 373 CZ PHE A 26 6.429 -10.558 -7.248 1.00 0.00 C ATOM 0 H PHE A 26 11.120 -5.858 -6.829 1.00 0.00 H new ATOM 0 HA PHE A 26 11.277 -8.457 -6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.376 -7.362 -5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.061 -6.620 -6.888 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.964 -7.931 -8.693 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.466 -9.519 -4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.284 -9.656 -9.180 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.789 -11.246 -5.257 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.689 -11.315 -7.460 1.00 0.00 H new ATOM 383 N GLN A 27 10.459 -8.248 -9.252 1.00 0.00 N ATOM 384 CA GLN A 27 10.359 -9.012 -10.490 1.00 0.00 C ATOM 385 C GLN A 27 11.541 -9.964 -10.638 1.00 0.00 C ATOM 386 O GLN A 27 11.363 -11.154 -10.901 1.00 0.00 O ATOM 387 CB GLN A 27 10.296 -8.068 -11.692 1.00 0.00 C ATOM 388 CG GLN A 27 8.928 -7.438 -11.899 1.00 0.00 C ATOM 389 CD GLN A 27 8.856 -6.600 -13.160 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.391 -5.493 -13.215 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.192 -7.125 -14.184 1.00 0.00 N ATOM 0 H GLN A 27 10.338 -7.242 -9.366 1.00 0.00 H new ATOM 0 HA GLN A 27 9.443 -9.602 -10.451 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.035 -7.277 -11.562 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.573 -8.619 -12.591 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.174 -8.224 -11.946 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.686 -6.814 -11.039 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.763 -8.046 -14.095 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.111 -6.607 -15.059 1.00 0.00 H new ATOM 400 N ARG A 28 12.748 -9.433 -10.470 1.00 0.00 N ATOM 401 CA ARG A 28 13.959 -10.236 -10.587 1.00 0.00 C ATOM 402 C ARG A 28 14.353 -10.825 -9.236 1.00 0.00 C ATOM 403 O ARG A 28 15.476 -11.294 -9.055 1.00 0.00 O ATOM 404 CB ARG A 28 15.106 -9.389 -11.141 1.00 0.00 C ATOM 405 CG ARG A 28 15.539 -8.268 -10.211 1.00 0.00 C ATOM 406 CD ARG A 28 16.869 -7.669 -10.642 1.00 0.00 C ATOM 407 NE ARG A 28 16.692 -6.560 -11.577 1.00 0.00 N ATOM 408 CZ ARG A 28 17.666 -5.722 -11.914 1.00 0.00 C ATOM 409 NH1 ARG A 28 18.878 -5.865 -11.398 1.00 0.00 N ATOM 410 NH2 ARG A 28 17.427 -4.737 -12.771 1.00 0.00 N ATOM 0 H ARG A 28 12.913 -8.450 -10.252 1.00 0.00 H new ATOM 0 HA ARG A 28 13.757 -11.056 -11.276 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.961 -10.035 -11.340 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.802 -8.960 -12.096 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.776 -7.490 -10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.623 -8.650 -9.194 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.411 -7.319 -9.763 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.481 -8.442 -11.108 1.00 0.00 H new ATOM 0 HE ARG A 28 15.771 -6.422 -11.993 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.066 -6.621 -10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.623 -5.219 -11.659 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.495 -4.624 -13.171 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.175 -4.093 -13.030 1.00 0.00 H new ATOM 424 N GLY A 29 13.421 -10.796 -8.288 1.00 0.00 N ATOM 425 CA GLY A 29 13.691 -11.330 -6.966 1.00 0.00 C ATOM 426 C GLY A 29 14.851 -10.631 -6.285 1.00 0.00 C ATOM 427 O GLY A 29 15.813 -11.275 -5.867 1.00 0.00 O ATOM 0 H GLY A 29 12.484 -10.412 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.798 -11.232 -6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.908 -12.395 -7.045 1.00 0.00 H new ATOM 431 N ASN A 30 14.762 -9.310 -6.174 1.00 0.00 N ATOM 432 CA ASN A 30 15.814 -8.523 -5.541 1.00 0.00 C ATOM 433 C ASN A 30 15.250 -7.673 -4.406 1.00 0.00 C ATOM 434 O ASN A 30 15.904 -7.471 -3.383 1.00 0.00 O ATOM 435 CB ASN A 30 16.500 -7.626 -6.573 1.00 0.00 C ATOM 436 CG ASN A 30 17.667 -6.856 -5.985 1.00 0.00 C ATOM 437 OD1 ASN A 30 18.435 -7.387 -5.183 1.00 0.00 O ATOM 438 ND2 ASN A 30 17.805 -5.597 -6.383 1.00 0.00 N ATOM 0 H ASN A 30 13.972 -8.762 -6.514 1.00 0.00 H new ATOM 0 HA ASN A 30 16.548 -9.213 -5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.853 -8.237 -7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.773 -6.923 -6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.572 -5.029 -6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.145 -5.198 -7.050 1.00 0.00 H new ATOM 445 N CYS A 31 14.032 -7.177 -4.596 1.00 0.00 N ATOM 446 CA CYS A 31 13.378 -6.348 -3.590 1.00 0.00 C ATOM 447 C CYS A 31 13.348 -7.056 -2.238 1.00 0.00 C ATOM 448 O CYS A 31 12.843 -8.172 -2.122 1.00 0.00 O ATOM 449 CB CYS A 31 11.954 -6.004 -4.030 1.00 0.00 C ATOM 450 SG CYS A 31 11.273 -4.509 -3.242 1.00 0.00 S ATOM 0 H CYS A 31 13.478 -7.335 -5.438 1.00 0.00 H new ATOM 0 HA CYS A 31 13.951 -5.427 -3.485 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.942 -5.869 -5.112 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.302 -6.849 -3.807 1.00 0.00 H new ATOM 455 N ALA A 32 13.891 -6.398 -1.220 1.00 0.00 N ATOM 456 CA ALA A 32 13.924 -6.962 0.124 1.00 0.00 C ATOM 457 C ALA A 32 12.775 -6.428 0.972 1.00 0.00 C ATOM 458 O ALA A 32 12.345 -7.073 1.928 1.00 0.00 O ATOM 459 CB ALA A 32 15.259 -6.661 0.790 1.00 0.00 C ATOM 0 H ALA A 32 14.314 -5.473 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 32 13.807 -8.043 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.270 -7.088 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.066 -7.097 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.399 -5.582 0.854 1.00 0.00 H new ATOM 465 N ARG A 33 12.283 -5.245 0.617 1.00 0.00 N ATOM 466 CA ARG A 33 11.185 -4.624 1.347 1.00 0.00 C ATOM 467 C ARG A 33 9.907 -5.445 1.210 1.00 0.00 C ATOM 468 O ARG A 33 9.030 -5.397 2.072 1.00 0.00 O ATOM 469 CB ARG A 33 10.947 -3.201 0.838 1.00 0.00 C ATOM 470 CG ARG A 33 12.038 -2.221 1.236 1.00 0.00 C ATOM 471 CD ARG A 33 11.623 -0.783 0.964 1.00 0.00 C ATOM 472 NE ARG A 33 12.692 0.163 1.270 1.00 0.00 N ATOM 473 CZ ARG A 33 12.489 1.460 1.476 1.00 0.00 C ATOM 474 NH1 ARG A 33 11.263 1.961 1.409 1.00 0.00 N ATOM 475 NH2 ARG A 33 13.513 2.257 1.750 1.00 0.00 N ATOM 0 H ARG A 33 12.628 -4.698 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 33 11.459 -4.585 2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.868 -3.222 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.991 -2.843 1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.267 -2.340 2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.951 -2.448 0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.337 -0.680 -0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.743 -0.541 1.560 1.00 0.00 H new ATOM 0 HE ARG A 33 13.647 -0.191 1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.473 1.350 1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.110 2.957 1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.457 1.875 1.803 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.356 3.252 1.908 1.00 0.00 H new ATOM 489 N GLY A 34 9.808 -6.199 0.119 1.00 0.00 N ATOM 490 CA GLY A 34 8.634 -7.020 -0.112 1.00 0.00 C ATOM 491 C GLY A 34 7.375 -6.194 -0.287 1.00 0.00 C ATOM 492 O GLY A 34 7.360 -5.002 0.018 1.00 0.00 O ATOM 0 H GLY A 34 10.520 -6.256 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.791 -7.631 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.502 -7.705 0.726 1.00 0.00 H new ATOM 496 N GLU A 35 6.316 -6.829 -0.781 1.00 0.00 N ATOM 497 CA GLU A 35 5.048 -6.144 -0.998 1.00 0.00 C ATOM 498 C GLU A 35 4.572 -5.461 0.281 1.00 0.00 C ATOM 499 O GLU A 35 3.690 -4.602 0.250 1.00 0.00 O ATOM 500 CB GLU A 35 3.986 -7.131 -1.488 1.00 0.00 C ATOM 501 CG GLU A 35 2.616 -6.504 -1.682 1.00 0.00 C ATOM 502 CD GLU A 35 2.570 -5.557 -2.866 1.00 0.00 C ATOM 503 OE1 GLU A 35 3.584 -4.871 -3.115 1.00 0.00 O ATOM 504 OE2 GLU A 35 1.522 -5.502 -3.542 1.00 0.00 O ATOM 0 H GLU A 35 6.312 -7.816 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 35 5.203 -5.381 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.314 -7.566 -2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.904 -7.949 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.877 -7.292 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.337 -5.963 -0.778 1.00 0.00 H new ATOM 511 N THR A 36 5.162 -5.851 1.407 1.00 0.00 N ATOM 512 CA THR A 36 4.798 -5.279 2.698 1.00 0.00 C ATOM 513 C THR A 36 5.583 -4.002 2.974 1.00 0.00 C ATOM 514 O THR A 36 5.011 -2.914 3.047 1.00 0.00 O ATOM 515 CB THR A 36 5.044 -6.278 3.844 1.00 0.00 C ATOM 516 OG1 THR A 36 6.407 -6.719 3.825 1.00 0.00 O ATOM 517 CG2 THR A 36 4.116 -7.478 3.725 1.00 0.00 C ATOM 0 H THR A 36 5.894 -6.560 1.451 1.00 0.00 H new ATOM 0 HA THR A 36 3.734 -5.045 2.652 1.00 0.00 H new ATOM 0 HB THR A 36 4.839 -5.772 4.788 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.556 -7.353 4.558 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.308 -8.170 4.545 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.080 -7.142 3.769 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.294 -7.983 2.776 1.00 0.00 H new ATOM 525 N ASP A 37 6.895 -4.141 3.126 1.00 0.00 N ATOM 526 CA ASP A 37 7.760 -2.997 3.393 1.00 0.00 C ATOM 527 C ASP A 37 7.939 -2.147 2.139 1.00 0.00 C ATOM 528 O ASP A 37 8.636 -1.132 2.159 1.00 0.00 O ATOM 529 CB ASP A 37 9.122 -3.469 3.904 1.00 0.00 C ATOM 530 CG ASP A 37 9.753 -2.482 4.866 1.00 0.00 C ATOM 531 OD1 ASP A 37 9.013 -1.651 5.433 1.00 0.00 O ATOM 532 OD2 ASP A 37 10.987 -2.539 5.052 1.00 0.00 O ATOM 0 H ASP A 37 7.384 -5.035 3.069 1.00 0.00 H new ATOM 0 HA ASP A 37 7.286 -2.385 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.007 -4.433 4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.790 -3.625 3.057 1.00 0.00 H new ATOM 537 N CYS A 38 7.307 -2.569 1.049 1.00 0.00 N ATOM 538 CA CYS A 38 7.397 -1.849 -0.215 1.00 0.00 C ATOM 539 C CYS A 38 6.036 -1.291 -0.621 1.00 0.00 C ATOM 540 O CYS A 38 5.015 -1.969 -0.502 1.00 0.00 O ATOM 541 CB CYS A 38 7.932 -2.769 -1.314 1.00 0.00 C ATOM 542 SG CYS A 38 8.651 -1.888 -2.737 1.00 0.00 S ATOM 0 H CYS A 38 6.726 -3.407 1.016 1.00 0.00 H new ATOM 0 HA CYS A 38 8.087 -1.016 -0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.690 -3.426 -0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.121 -3.406 -1.667 1.00 0.00 H new ATOM 547 N ARG A 39 6.030 -0.052 -1.102 1.00 0.00 N ATOM 548 CA ARG A 39 4.795 0.597 -1.526 1.00 0.00 C ATOM 549 C ARG A 39 4.375 0.115 -2.911 1.00 0.00 C ATOM 550 O ARG A 39 3.187 0.070 -3.231 1.00 0.00 O ATOM 551 CB ARG A 39 4.969 2.117 -1.533 1.00 0.00 C ATOM 552 CG ARG A 39 5.368 2.690 -0.183 1.00 0.00 C ATOM 553 CD ARG A 39 5.134 4.192 -0.125 1.00 0.00 C ATOM 554 NE ARG A 39 4.908 4.658 1.240 1.00 0.00 N ATOM 555 CZ ARG A 39 4.922 5.940 1.590 1.00 0.00 C ATOM 556 NH1 ARG A 39 5.149 6.877 0.681 1.00 0.00 N ATOM 557 NH2 ARG A 39 4.707 6.285 2.853 1.00 0.00 N ATOM 0 H ARG A 39 6.866 0.522 -1.208 1.00 0.00 H new ATOM 0 HA ARG A 39 4.012 0.331 -0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.726 2.384 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.035 2.580 -1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.796 2.201 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.420 2.477 0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.995 4.710 -0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.274 4.449 -0.743 1.00 0.00 H new ATOM 0 HE ARG A 39 4.730 3.962 1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.314 6.615 -0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.159 7.860 0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.531 5.566 3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.718 7.269 3.122 1.00 0.00 H new ATOM 571 N PHE A 40 5.358 -0.242 -3.731 1.00 0.00 N ATOM 572 CA PHE A 40 5.091 -0.719 -5.083 1.00 0.00 C ATOM 573 C PHE A 40 4.486 -2.119 -5.056 1.00 0.00 C ATOM 574 O PHE A 40 4.946 -2.992 -4.321 1.00 0.00 O ATOM 575 CB PHE A 40 6.380 -0.723 -5.908 1.00 0.00 C ATOM 576 CG PHE A 40 6.899 0.652 -6.216 1.00 0.00 C ATOM 577 CD1 PHE A 40 7.429 1.447 -5.213 1.00 0.00 C ATOM 578 CD2 PHE A 40 6.858 1.149 -7.509 1.00 0.00 C ATOM 579 CE1 PHE A 40 7.907 2.713 -5.494 1.00 0.00 C ATOM 580 CE2 PHE A 40 7.335 2.414 -7.796 1.00 0.00 C ATOM 581 CZ PHE A 40 7.861 3.197 -6.787 1.00 0.00 C ATOM 0 H PHE A 40 6.347 -0.210 -3.483 1.00 0.00 H new ATOM 0 HA PHE A 40 4.373 -0.042 -5.546 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.146 -1.279 -5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.201 -1.253 -6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.469 1.073 -4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.448 0.541 -8.302 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.316 3.324 -4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.297 2.790 -8.808 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.236 4.185 -7.008 1.00 0.00 H new ATOM 591 N ALA A 41 3.451 -2.325 -5.864 1.00 0.00 N ATOM 592 CA ALA A 41 2.783 -3.619 -5.936 1.00 0.00 C ATOM 593 C ALA A 41 3.709 -4.684 -6.513 1.00 0.00 C ATOM 594 O ALA A 41 4.428 -4.436 -7.482 1.00 0.00 O ATOM 595 CB ALA A 41 1.514 -3.512 -6.768 1.00 0.00 C ATOM 0 H ALA A 41 3.057 -1.612 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 41 2.515 -3.919 -4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.026 -4.485 -6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.839 -2.788 -6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.767 -3.186 -7.777 1.00 0.00 H new ATOM 601 N HIS A 42 3.686 -5.870 -5.913 1.00 0.00 N ATOM 602 CA HIS A 42 4.525 -6.973 -6.369 1.00 0.00 C ATOM 603 C HIS A 42 3.679 -8.070 -7.009 1.00 0.00 C ATOM 604 O HIS A 42 3.066 -8.892 -6.327 1.00 0.00 O ATOM 605 CB HIS A 42 5.327 -7.548 -5.201 1.00 0.00 C ATOM 606 CG HIS A 42 6.403 -6.631 -4.706 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.468 -7.063 -3.944 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.575 -5.298 -4.868 1.00 0.00 C ATOM 609 CE1 HIS A 42 8.248 -6.036 -3.658 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.728 -4.953 -4.207 1.00 0.00 N ATOM 0 H HIS A 42 3.096 -6.092 -5.111 1.00 0.00 H new ATOM 0 HA HIS A 42 5.215 -6.586 -7.119 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.647 -7.774 -4.380 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.778 -8.491 -5.510 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.628 -8.026 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.926 -4.630 -5.415 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.156 -6.075 -3.075 1.00 0.00 H new ATOM 618 N PRO A 43 3.641 -8.083 -8.349 1.00 0.00 N ATOM 619 CA PRO A 43 2.874 -9.074 -9.110 1.00 0.00 C ATOM 620 C PRO A 43 3.475 -10.472 -9.015 1.00 0.00 C ATOM 621 O PRO A 43 4.335 -10.843 -9.813 1.00 0.00 O ATOM 622 CB PRO A 43 2.951 -8.555 -10.548 1.00 0.00 C ATOM 623 CG PRO A 43 4.202 -7.746 -10.591 1.00 0.00 C ATOM 624 CD PRO A 43 4.347 -7.133 -9.226 1.00 0.00 C ATOM 0 HA PRO A 43 1.856 -9.177 -8.733 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.985 -9.376 -11.264 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.079 -7.950 -10.798 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.062 -8.371 -10.831 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.142 -6.976 -11.360 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.394 -7.026 -8.943 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.902 -6.139 -9.182 1.00 0.00 H new ATOM 632 N ALA A 44 3.017 -11.243 -8.034 1.00 0.00 N ATOM 633 CA ALA A 44 3.509 -12.600 -7.837 1.00 0.00 C ATOM 634 C ALA A 44 2.491 -13.628 -8.319 1.00 0.00 C ATOM 635 O ALA A 44 2.850 -14.621 -8.952 1.00 0.00 O ATOM 636 CB ALA A 44 3.843 -12.833 -6.371 1.00 0.00 C ATOM 0 H ALA A 44 2.306 -10.950 -7.364 1.00 0.00 H new ATOM 0 HA ALA A 44 4.417 -12.720 -8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.209 -13.851 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.611 -12.127 -6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.948 -12.688 -5.766 1.00 0.00 H new ATOM 642 N ASP A 45 1.221 -13.384 -8.015 1.00 0.00 N ATOM 643 CA ASP A 45 0.151 -14.289 -8.417 1.00 0.00 C ATOM 644 C ASP A 45 -0.848 -13.579 -9.326 1.00 0.00 C ATOM 645 O ASP A 45 -2.059 -13.747 -9.185 1.00 0.00 O ATOM 646 CB ASP A 45 -0.567 -14.844 -7.186 1.00 0.00 C ATOM 647 CG ASP A 45 0.344 -15.691 -6.318 1.00 0.00 C ATOM 648 OD1 ASP A 45 1.167 -16.443 -6.880 1.00 0.00 O ATOM 649 OD2 ASP A 45 0.232 -15.602 -5.078 1.00 0.00 O ATOM 0 H ASP A 45 0.907 -12.567 -7.491 1.00 0.00 H new ATOM 0 HA ASP A 45 0.597 -15.115 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.961 -14.017 -6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.420 -15.443 -7.505 1.00 0.00 H new ATOM 654 N SER A 46 -0.331 -12.784 -10.258 1.00 0.00 N ATOM 655 CA SER A 46 -1.177 -12.044 -11.187 1.00 0.00 C ATOM 656 C SER A 46 -0.414 -11.702 -12.463 1.00 0.00 C ATOM 657 O SER A 46 0.724 -11.235 -12.414 1.00 0.00 O ATOM 658 CB SER A 46 -1.694 -10.763 -10.529 1.00 0.00 C ATOM 659 OG SER A 46 -0.627 -9.888 -10.209 1.00 0.00 O ATOM 0 H SER A 46 0.670 -12.636 -10.390 1.00 0.00 H new ATOM 0 HA SER A 46 -2.025 -12.676 -11.450 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.391 -10.261 -11.200 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.247 -11.013 -9.624 1.00 0.00 H new ATOM 0 HG SER A 46 -0.984 -9.076 -9.791 1.00 0.00 H new ATOM 665 N THR A 47 -1.050 -11.938 -13.606 1.00 0.00 N ATOM 666 CA THR A 47 -0.432 -11.657 -14.896 1.00 0.00 C ATOM 667 C THR A 47 -1.110 -10.479 -15.586 1.00 0.00 C ATOM 668 O THR A 47 -1.298 -10.484 -16.802 1.00 0.00 O ATOM 669 CB THR A 47 -0.490 -12.884 -15.826 1.00 0.00 C ATOM 670 OG1 THR A 47 -1.845 -13.323 -15.975 1.00 0.00 O ATOM 671 CG2 THR A 47 0.359 -14.021 -15.276 1.00 0.00 C ATOM 0 H THR A 47 -1.993 -12.323 -13.665 1.00 0.00 H new ATOM 0 HA THR A 47 0.611 -11.408 -14.699 1.00 0.00 H new ATOM 0 HB THR A 47 -0.094 -12.593 -16.799 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.873 -14.102 -16.569 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.302 -14.876 -15.950 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.395 -13.694 -15.192 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.012 -14.309 -14.292 1.00 0.00 H new ATOM 679 N MET A 48 -1.475 -9.471 -14.801 1.00 0.00 N ATOM 680 CA MET A 48 -2.131 -8.284 -15.337 1.00 0.00 C ATOM 681 C MET A 48 -1.155 -7.115 -15.424 1.00 0.00 C ATOM 682 O MET A 48 -1.511 -5.974 -15.128 1.00 0.00 O ATOM 683 CB MET A 48 -3.329 -7.900 -14.467 1.00 0.00 C ATOM 684 CG MET A 48 -4.411 -8.966 -14.417 1.00 0.00 C ATOM 685 SD MET A 48 -5.726 -8.568 -13.249 1.00 0.00 S ATOM 686 CE MET A 48 -4.803 -8.487 -11.716 1.00 0.00 C ATOM 0 H MET A 48 -1.328 -9.452 -13.792 1.00 0.00 H new ATOM 0 HA MET A 48 -2.481 -8.517 -16.343 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.982 -7.699 -13.454 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.761 -6.974 -14.846 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.839 -9.090 -15.412 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.963 -9.921 -14.142 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.493 -8.533 -10.873 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.109 -9.326 -11.664 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.244 -7.552 -11.677 1.00 0.00 H new ATOM 696 N ILE A 49 0.076 -7.407 -15.831 1.00 0.00 N ATOM 697 CA ILE A 49 1.102 -6.380 -15.957 1.00 0.00 C ATOM 698 C ILE A 49 1.078 -5.746 -17.344 1.00 0.00 C ATOM 699 O ILE A 49 1.045 -6.445 -18.356 1.00 0.00 O ATOM 700 CB ILE A 49 2.507 -6.952 -15.690 1.00 0.00 C ATOM 701 CG1 ILE A 49 2.605 -7.471 -14.254 1.00 0.00 C ATOM 702 CG2 ILE A 49 3.568 -5.893 -15.950 1.00 0.00 C ATOM 703 CD1 ILE A 49 3.857 -8.276 -13.987 1.00 0.00 C ATOM 0 H ILE A 49 0.387 -8.346 -16.079 1.00 0.00 H new ATOM 0 HA ILE A 49 0.880 -5.619 -15.209 1.00 0.00 H new ATOM 0 HB ILE A 49 2.680 -7.786 -16.370 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.573 -6.625 -13.567 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.733 -8.089 -14.039 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.555 -6.312 -15.757 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.509 -5.566 -16.988 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.401 -5.041 -15.291 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.860 -8.612 -12.950 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.881 -9.142 -14.649 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.734 -7.656 -14.170 1.00 0.00 H new ATOM 715 N ASP A 50 1.098 -4.418 -17.382 1.00 0.00 N ATOM 716 CA ASP A 50 1.082 -3.689 -18.645 1.00 0.00 C ATOM 717 C ASP A 50 2.493 -3.542 -19.205 1.00 0.00 C ATOM 718 O ASP A 50 3.334 -2.852 -18.627 1.00 0.00 O ATOM 719 CB ASP A 50 0.449 -2.310 -18.454 1.00 0.00 C ATOM 720 CG ASP A 50 -1.061 -2.343 -18.585 1.00 0.00 C ATOM 721 OD1 ASP A 50 -1.656 -3.410 -18.326 1.00 0.00 O ATOM 722 OD2 ASP A 50 -1.648 -1.302 -18.946 1.00 0.00 O ATOM 0 H ASP A 50 1.125 -3.825 -16.553 1.00 0.00 H new ATOM 0 HA ASP A 50 0.485 -4.258 -19.358 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.717 -1.923 -17.471 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.860 -1.620 -19.191 1.00 0.00 H new ATOM 727 N THR A 51 2.748 -4.196 -20.334 1.00 0.00 N ATOM 728 CA THR A 51 4.057 -4.140 -20.972 1.00 0.00 C ATOM 729 C THR A 51 4.320 -2.762 -21.568 1.00 0.00 C ATOM 730 O THR A 51 5.376 -2.518 -22.151 1.00 0.00 O ATOM 731 CB THR A 51 4.188 -5.200 -22.081 1.00 0.00 C ATOM 732 OG1 THR A 51 3.103 -5.076 -23.007 1.00 0.00 O ATOM 733 CG2 THR A 51 4.200 -6.602 -21.491 1.00 0.00 C ATOM 0 H THR A 51 2.064 -4.771 -20.826 1.00 0.00 H new ATOM 0 HA THR A 51 4.795 -4.344 -20.196 1.00 0.00 H new ATOM 0 HB THR A 51 5.131 -5.034 -22.602 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.194 -5.752 -23.710 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.293 -7.334 -22.294 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.044 -6.702 -20.809 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.271 -6.776 -20.948 1.00 0.00 H new ATOM 741 N SER A 52 3.352 -1.863 -21.417 1.00 0.00 N ATOM 742 CA SER A 52 3.478 -0.509 -21.944 1.00 0.00 C ATOM 743 C SER A 52 4.109 0.420 -20.911 1.00 0.00 C ATOM 744 O SER A 52 5.009 1.198 -21.227 1.00 0.00 O ATOM 745 CB SER A 52 2.107 0.029 -22.360 1.00 0.00 C ATOM 746 OG SER A 52 2.237 1.118 -23.257 1.00 0.00 O ATOM 0 H SER A 52 2.473 -2.048 -20.934 1.00 0.00 H new ATOM 0 HA SER A 52 4.127 -0.545 -22.819 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.528 -0.766 -22.830 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.554 0.346 -21.476 1.00 0.00 H new ATOM 0 HG SER A 52 1.347 1.442 -23.509 1.00 0.00 H new ATOM 752 N ASP A 53 3.630 0.331 -19.675 1.00 0.00 N ATOM 753 CA ASP A 53 4.146 1.162 -18.594 1.00 0.00 C ATOM 754 C ASP A 53 4.433 0.322 -17.353 1.00 0.00 C ATOM 755 O ASP A 53 4.458 0.837 -16.236 1.00 0.00 O ATOM 756 CB ASP A 53 3.150 2.272 -18.254 1.00 0.00 C ATOM 757 CG ASP A 53 3.172 3.399 -19.268 1.00 0.00 C ATOM 758 OD1 ASP A 53 4.279 3.811 -19.673 1.00 0.00 O ATOM 759 OD2 ASP A 53 2.082 3.870 -19.656 1.00 0.00 O ATOM 0 H ASP A 53 2.885 -0.308 -19.397 1.00 0.00 H new ATOM 0 HA ASP A 53 5.080 1.613 -18.930 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.145 1.852 -18.203 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.379 2.671 -17.266 1.00 0.00 H new ATOM 764 N ASN A 54 4.648 -0.973 -17.558 1.00 0.00 N ATOM 765 CA ASN A 54 4.931 -1.885 -16.456 1.00 0.00 C ATOM 766 C ASN A 54 4.066 -1.557 -15.242 1.00 0.00 C ATOM 767 O ASN A 54 4.524 -1.628 -14.101 1.00 0.00 O ATOM 768 CB ASN A 54 6.411 -1.814 -16.075 1.00 0.00 C ATOM 769 CG ASN A 54 6.695 -0.727 -15.056 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.661 0.461 -15.374 1.00 0.00 O ATOM 771 ND2 ASN A 54 6.977 -1.132 -13.823 1.00 0.00 N ATOM 0 H ASN A 54 4.632 -1.415 -18.477 1.00 0.00 H new ATOM 0 HA ASN A 54 4.695 -2.897 -16.785 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.726 -2.777 -15.672 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.005 -1.633 -16.970 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.177 -0.447 -13.094 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.994 -2.128 -13.605 1.00 0.00 H new ATOM 778 N THR A 55 2.812 -1.196 -15.496 1.00 0.00 N ATOM 779 CA THR A 55 1.883 -0.856 -14.426 1.00 0.00 C ATOM 780 C THR A 55 0.725 -1.846 -14.368 1.00 0.00 C ATOM 781 O THR A 55 0.478 -2.584 -15.322 1.00 0.00 O ATOM 782 CB THR A 55 1.320 0.566 -14.602 1.00 0.00 C ATOM 783 OG1 THR A 55 1.061 0.823 -15.986 1.00 0.00 O ATOM 784 CG2 THR A 55 2.292 1.604 -14.062 1.00 0.00 C ATOM 0 H THR A 55 2.417 -1.132 -16.434 1.00 0.00 H new ATOM 0 HA THR A 55 2.444 -0.903 -13.493 1.00 0.00 H new ATOM 0 HB THR A 55 0.389 0.636 -14.040 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.702 1.729 -16.089 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.872 2.601 -14.198 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.464 1.424 -13.001 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.237 1.532 -14.600 1.00 0.00 H new ATOM 792 N VAL A 56 0.017 -1.856 -13.243 1.00 0.00 N ATOM 793 CA VAL A 56 -1.118 -2.754 -13.062 1.00 0.00 C ATOM 794 C VAL A 56 -2.375 -1.981 -12.680 1.00 0.00 C ATOM 795 O VAL A 56 -2.305 -0.952 -12.007 1.00 0.00 O ATOM 796 CB VAL A 56 -0.829 -3.811 -11.980 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.232 -4.790 -12.458 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.403 -3.142 -10.682 1.00 0.00 C ATOM 0 H VAL A 56 0.209 -1.253 -12.443 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.280 -3.256 -14.016 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.745 -4.370 -11.790 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.422 -5.529 -11.680 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.117 -5.294 -13.359 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.153 -4.250 -12.678 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.203 -3.904 -9.929 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.500 -2.556 -10.854 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.200 -2.486 -10.332 1.00 0.00 H new ATOM 808 N THR A 57 -3.527 -2.484 -13.113 1.00 0.00 N ATOM 809 CA THR A 57 -4.801 -1.841 -12.817 1.00 0.00 C ATOM 810 C THR A 57 -5.225 -2.098 -11.376 1.00 0.00 C ATOM 811 O THR A 57 -4.917 -3.144 -10.805 1.00 0.00 O ATOM 812 CB THR A 57 -5.912 -2.334 -13.763 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.432 -2.358 -15.112 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.138 -1.438 -13.671 1.00 0.00 C ATOM 0 H THR A 57 -3.604 -3.335 -13.670 1.00 0.00 H new ATOM 0 HA THR A 57 -4.657 -0.771 -12.965 1.00 0.00 H new ATOM 0 HB THR A 57 -6.195 -3.342 -13.461 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.144 -2.674 -15.707 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.909 -1.806 -14.348 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.518 -1.445 -12.649 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.866 -0.420 -13.950 1.00 0.00 H new ATOM 822 N VAL A 58 -5.935 -1.138 -10.792 1.00 0.00 N ATOM 823 CA VAL A 58 -6.403 -1.261 -9.417 1.00 0.00 C ATOM 824 C VAL A 58 -7.925 -1.216 -9.349 1.00 0.00 C ATOM 825 O VAL A 58 -8.559 -0.347 -9.948 1.00 0.00 O ATOM 826 CB VAL A 58 -5.827 -0.146 -8.525 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.358 -0.269 -7.105 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.306 -0.185 -8.540 1.00 0.00 C ATOM 0 H VAL A 58 -6.199 -0.266 -11.250 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.054 -2.226 -9.049 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.147 0.816 -8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.940 0.528 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.445 -0.187 -7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.071 -1.236 -6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.915 0.610 -7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.963 -1.150 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.948 -0.043 -9.560 1.00 0.00 H new ATOM 838 N CYS A 59 -8.507 -2.158 -8.614 1.00 0.00 N ATOM 839 CA CYS A 59 -9.956 -2.227 -8.466 1.00 0.00 C ATOM 840 C CYS A 59 -10.475 -1.056 -7.636 1.00 0.00 C ATOM 841 O CYS A 59 -10.237 -0.983 -6.431 1.00 0.00 O ATOM 842 CB CYS A 59 -10.360 -3.549 -7.811 1.00 0.00 C ATOM 843 SG CYS A 59 -12.075 -4.057 -8.158 1.00 0.00 S ATOM 0 H CYS A 59 -7.997 -2.884 -8.111 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.401 -2.170 -9.460 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.684 -4.333 -8.152 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.229 -3.463 -6.732 1.00 0.00 H new ATOM 848 N MET A 60 -11.184 -0.143 -8.291 1.00 0.00 N ATOM 849 CA MET A 60 -11.738 1.024 -7.613 1.00 0.00 C ATOM 850 C MET A 60 -12.687 0.604 -6.496 1.00 0.00 C ATOM 851 O MET A 60 -12.566 1.065 -5.360 1.00 0.00 O ATOM 852 CB MET A 60 -12.472 1.920 -8.612 1.00 0.00 C ATOM 853 CG MET A 60 -12.931 3.243 -8.020 1.00 0.00 C ATOM 854 SD MET A 60 -11.661 4.520 -8.106 1.00 0.00 S ATOM 855 CE MET A 60 -10.567 4.000 -6.787 1.00 0.00 C ATOM 0 H MET A 60 -11.389 -0.188 -9.289 1.00 0.00 H new ATOM 0 HA MET A 60 -10.912 1.583 -7.173 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.816 2.119 -9.459 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.339 1.384 -8.999 1.00 0.00 H new ATOM 0 HG2 MET A 60 -13.821 3.584 -8.549 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.218 3.091 -6.980 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.159 4.878 -6.286 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.123 3.398 -6.069 1.00 0.00 H new ATOM 0 HE3 MET A 60 -9.752 3.408 -7.203 1.00 0.00 H new ATOM 865 N ASP A 61 -13.631 -0.271 -6.825 1.00 0.00 N ATOM 866 CA ASP A 61 -14.600 -0.753 -5.848 1.00 0.00 C ATOM 867 C ASP A 61 -13.902 -1.232 -4.580 1.00 0.00 C ATOM 868 O ASP A 61 -14.095 -0.670 -3.502 1.00 0.00 O ATOM 869 CB ASP A 61 -15.436 -1.887 -6.445 1.00 0.00 C ATOM 870 CG ASP A 61 -16.333 -1.414 -7.572 1.00 0.00 C ATOM 871 OD1 ASP A 61 -16.022 -0.368 -8.178 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.346 -2.090 -7.847 1.00 0.00 O ATOM 0 H ASP A 61 -13.746 -0.661 -7.761 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.258 0.075 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.772 -2.667 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.047 -2.335 -5.662 1.00 0.00 H new ATOM 877 N TYR A 62 -13.090 -2.275 -4.716 1.00 0.00 N ATOM 878 CA TYR A 62 -12.365 -2.832 -3.580 1.00 0.00 C ATOM 879 C TYR A 62 -11.891 -1.727 -2.641 1.00 0.00 C ATOM 880 O TYR A 62 -12.154 -1.764 -1.438 1.00 0.00 O ATOM 881 CB TYR A 62 -11.169 -3.653 -4.065 1.00 0.00 C ATOM 882 CG TYR A 62 -10.414 -4.340 -2.949 1.00 0.00 C ATOM 883 CD1 TYR A 62 -11.082 -5.090 -1.989 1.00 0.00 C ATOM 884 CD2 TYR A 62 -9.031 -4.239 -2.855 1.00 0.00 C ATOM 885 CE1 TYR A 62 -10.396 -5.718 -0.968 1.00 0.00 C ATOM 886 CE2 TYR A 62 -8.336 -4.865 -1.838 1.00 0.00 C ATOM 887 CZ TYR A 62 -9.023 -5.603 -0.897 1.00 0.00 C ATOM 888 OH TYR A 62 -8.336 -6.228 0.118 1.00 0.00 O ATOM 0 H TYR A 62 -12.918 -2.751 -5.601 1.00 0.00 H new ATOM 0 HA TYR A 62 -13.045 -3.483 -3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.518 -4.405 -4.773 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.485 -2.999 -4.606 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -12.157 -5.184 -2.042 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.490 -3.661 -3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.931 -6.296 -0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.261 -4.777 -1.780 1.00 0.00 H new ATOM 0 HH TYR A 62 -7.381 -6.254 -0.101 1.00 0.00 H new ATOM 898 N ILE A 63 -11.190 -0.746 -3.199 1.00 0.00 N ATOM 899 CA ILE A 63 -10.680 0.371 -2.413 1.00 0.00 C ATOM 900 C ILE A 63 -11.755 0.926 -1.485 1.00 0.00 C ATOM 901 O ILE A 63 -11.497 1.204 -0.314 1.00 0.00 O ATOM 902 CB ILE A 63 -10.163 1.506 -3.317 1.00 0.00 C ATOM 903 CG1 ILE A 63 -8.988 1.015 -4.165 1.00 0.00 C ATOM 904 CG2 ILE A 63 -9.753 2.706 -2.478 1.00 0.00 C ATOM 905 CD1 ILE A 63 -7.873 0.396 -3.352 1.00 0.00 C ATOM 0 H ILE A 63 -10.962 -0.702 -4.192 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.852 -0.014 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.967 1.813 -3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.352 0.282 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.588 1.852 -4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.390 3.500 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.613 3.066 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.962 2.414 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.074 0.071 -4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.482 1.133 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.258 -0.462 -2.801 1.00 0.00 H new ATOM 917 N LYS A 64 -12.963 1.083 -2.015 1.00 0.00 N ATOM 918 CA LYS A 64 -14.080 1.602 -1.234 1.00 0.00 C ATOM 919 C LYS A 64 -14.430 0.655 -0.090 1.00 0.00 C ATOM 920 O LYS A 64 -14.963 1.077 0.936 1.00 0.00 O ATOM 921 CB LYS A 64 -15.303 1.809 -2.130 1.00 0.00 C ATOM 922 CG LYS A 64 -15.236 3.075 -2.967 1.00 0.00 C ATOM 923 CD LYS A 64 -16.544 3.330 -3.698 1.00 0.00 C ATOM 924 CE LYS A 64 -16.634 2.516 -4.980 1.00 0.00 C ATOM 925 NZ LYS A 64 -17.700 3.025 -5.886 1.00 0.00 N ATOM 0 H LYS A 64 -13.194 0.858 -2.983 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.781 2.561 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.407 0.950 -2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.197 1.842 -1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.005 3.925 -2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.424 2.992 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.381 3.079 -3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.630 4.391 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.674 2.544 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.833 1.473 -4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.729 2.444 -6.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.620 2.975 -5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.497 4.013 -6.141 1.00 0.00 H new ATOM 939 N GLY A 65 -14.125 -0.626 -0.273 1.00 0.00 N ATOM 940 CA GLY A 65 -14.414 -1.611 0.753 1.00 0.00 C ATOM 941 C GLY A 65 -15.296 -2.734 0.246 1.00 0.00 C ATOM 942 O GLY A 65 -15.274 -3.841 0.785 1.00 0.00 O ATOM 0 H GLY A 65 -13.683 -0.999 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.478 -2.028 1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.903 -1.121 1.595 1.00 0.00 H new ATOM 946 N ARG A 66 -16.077 -2.450 -0.791 1.00 0.00 N ATOM 947 CA ARG A 66 -16.973 -3.444 -1.368 1.00 0.00 C ATOM 948 C ARG A 66 -16.655 -3.672 -2.843 1.00 0.00 C ATOM 949 O ARG A 66 -16.932 -2.819 -3.688 1.00 0.00 O ATOM 950 CB ARG A 66 -18.429 -3.001 -1.212 1.00 0.00 C ATOM 951 CG ARG A 66 -18.842 -2.765 0.231 1.00 0.00 C ATOM 952 CD ARG A 66 -20.282 -2.285 0.327 1.00 0.00 C ATOM 953 NE ARG A 66 -21.236 -3.371 0.117 1.00 0.00 N ATOM 954 CZ ARG A 66 -22.494 -3.180 -0.263 1.00 0.00 C ATOM 955 NH1 ARG A 66 -22.948 -1.952 -0.472 1.00 0.00 N ATOM 956 NH2 ARG A 66 -23.302 -4.219 -0.433 1.00 0.00 N ATOM 0 H ARG A 66 -16.107 -1.539 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.826 -4.382 -0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.584 -2.084 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.079 -3.759 -1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.726 -3.688 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.180 -2.027 0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.451 -1.839 1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.454 -1.503 -0.413 1.00 0.00 H new ATOM 0 HE ARG A 66 -20.919 -4.328 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -22.331 -1.151 -0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -23.915 -1.808 -0.764 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -22.957 -5.165 -0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -24.268 -4.071 -0.725 1.00 0.00 H new ATOM 970 N CYS A 67 -16.071 -4.826 -3.146 1.00 0.00 N ATOM 971 CA CYS A 67 -15.714 -5.167 -4.518 1.00 0.00 C ATOM 972 C CYS A 67 -16.630 -6.258 -5.064 1.00 0.00 C ATOM 973 O CYS A 67 -16.489 -7.431 -4.719 1.00 0.00 O ATOM 974 CB CYS A 67 -14.256 -5.627 -4.588 1.00 0.00 C ATOM 975 SG CYS A 67 -13.883 -6.697 -6.014 1.00 0.00 S ATOM 0 H CYS A 67 -15.835 -5.542 -2.459 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.837 -4.274 -5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.611 -4.749 -4.627 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -14.011 -6.163 -3.671 1.00 0.00 H new ATOM 980 N MET A 68 -17.569 -5.863 -5.917 1.00 0.00 N ATOM 981 CA MET A 68 -18.507 -6.807 -6.512 1.00 0.00 C ATOM 982 C MET A 68 -18.590 -6.613 -8.023 1.00 0.00 C ATOM 983 O MET A 68 -19.602 -6.938 -8.645 1.00 0.00 O ATOM 984 CB MET A 68 -19.894 -6.642 -5.888 1.00 0.00 C ATOM 985 CG MET A 68 -20.702 -7.930 -5.852 1.00 0.00 C ATOM 986 SD MET A 68 -20.051 -9.125 -4.669 1.00 0.00 S ATOM 987 CE MET A 68 -21.487 -10.166 -4.415 1.00 0.00 C ATOM 0 H MET A 68 -17.701 -4.895 -6.212 1.00 0.00 H new ATOM 0 HA MET A 68 -18.144 -7.815 -6.313 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.783 -6.264 -4.872 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.449 -5.890 -6.449 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.736 -7.699 -5.597 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.711 -8.377 -6.846 1.00 0.00 H new ATOM 0 HE1 MET A 68 -21.243 -10.956 -3.705 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.307 -9.565 -4.021 1.00 0.00 H new ATOM 0 HE3 MET A 68 -21.786 -10.611 -5.364 1.00 0.00 H new ATOM 997 N ARG A 69 -17.521 -6.081 -8.606 1.00 0.00 N ATOM 998 CA ARG A 69 -17.475 -5.842 -10.043 1.00 0.00 C ATOM 999 C ARG A 69 -17.680 -7.141 -10.817 1.00 0.00 C ATOM 1000 O ARG A 69 -17.032 -8.149 -10.539 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.138 -5.209 -10.434 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.043 -3.730 -10.099 1.00 0.00 C ATOM 1003 CD ARG A 69 -14.942 -3.047 -10.895 1.00 0.00 C ATOM 1004 NE ARG A 69 -15.374 -2.714 -12.250 1.00 0.00 N ATOM 1005 CZ ARG A 69 -14.798 -1.776 -12.995 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -13.773 -1.083 -12.518 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -15.248 -1.530 -14.219 1.00 0.00 N ATOM 0 H ARG A 69 -16.675 -5.807 -8.105 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.283 -5.156 -10.298 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.332 -5.740 -9.927 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -15.983 -5.341 -11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -16.997 -3.247 -10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.851 -3.609 -9.033 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.632 -2.138 -10.379 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.070 -3.700 -10.942 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.160 -3.229 -12.646 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.425 -1.269 -11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.333 -0.364 -13.092 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -16.037 -2.061 -14.589 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.805 -0.810 -14.790 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.586 -7.108 -11.789 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.878 -8.283 -12.602 1.00 0.00 C ATOM 1023 C GLU A 70 -17.589 -8.942 -13.086 1.00 0.00 C ATOM 1024 O GLU A 70 -16.865 -8.385 -13.911 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.749 -7.899 -13.800 1.00 0.00 C ATOM 1026 CG GLU A 70 -20.473 -9.078 -14.428 1.00 0.00 C ATOM 1027 CD GLU A 70 -21.692 -8.656 -15.225 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -22.634 -8.103 -14.619 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -21.705 -8.878 -16.454 1.00 0.00 O ATOM 0 H GLU A 70 -19.130 -6.281 -12.033 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.421 -8.997 -11.982 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.484 -7.159 -13.482 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -19.124 -7.423 -14.555 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -19.785 -9.616 -15.080 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -20.778 -9.772 -13.644 1.00 0.00 H new ATOM 1036 N LYS A 71 -17.310 -10.133 -12.566 1.00 0.00 N ATOM 1037 CA LYS A 71 -16.110 -10.870 -12.944 1.00 0.00 C ATOM 1038 C LYS A 71 -14.861 -10.020 -12.738 1.00 0.00 C ATOM 1039 O LYS A 71 -13.997 -9.946 -13.612 1.00 0.00 O ATOM 1040 CB LYS A 71 -16.200 -11.317 -14.405 1.00 0.00 C ATOM 1041 CG LYS A 71 -16.839 -12.683 -14.586 1.00 0.00 C ATOM 1042 CD LYS A 71 -16.558 -13.252 -15.966 1.00 0.00 C ATOM 1043 CE LYS A 71 -15.164 -13.856 -16.047 1.00 0.00 C ATOM 1044 NZ LYS A 71 -15.062 -15.123 -15.271 1.00 0.00 N ATOM 0 H LYS A 71 -17.899 -10.608 -11.882 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.038 -11.750 -12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.774 -10.580 -14.967 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.198 -11.335 -14.833 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.460 -13.366 -13.826 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.916 -12.605 -14.436 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.300 -14.014 -16.205 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.658 -12.464 -16.713 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.911 -14.048 -17.090 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.435 -13.139 -15.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.216 -15.648 -15.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.990 -14.904 -14.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.908 -15.703 -15.441 1.00 0.00 H new ATOM 1058 N CYS A 72 -14.771 -9.382 -11.576 1.00 0.00 N ATOM 1059 CA CYS A 72 -13.627 -8.537 -11.254 1.00 0.00 C ATOM 1060 C CYS A 72 -12.334 -9.146 -11.788 1.00 0.00 C ATOM 1061 O CYS A 72 -12.022 -10.306 -11.518 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.523 -8.339 -9.740 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.965 -7.568 -9.196 1.00 0.00 S ATOM 0 H CYS A 72 -15.477 -9.434 -10.841 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.776 -7.568 -11.731 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.357 -7.721 -9.407 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.627 -9.307 -9.250 1.00 0.00 H new ATOM 1068 N LYS A 73 -11.583 -8.355 -12.547 1.00 0.00 N ATOM 1069 CA LYS A 73 -10.323 -8.814 -13.119 1.00 0.00 C ATOM 1070 C LYS A 73 -9.226 -7.772 -12.923 1.00 0.00 C ATOM 1071 O LYS A 73 -8.412 -7.537 -13.817 1.00 0.00 O ATOM 1072 CB LYS A 73 -10.495 -9.114 -14.610 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.748 -7.877 -15.455 1.00 0.00 C ATOM 1074 CD LYS A 73 -12.230 -7.553 -15.539 1.00 0.00 C ATOM 1075 CE LYS A 73 -12.497 -6.416 -16.513 1.00 0.00 C ATOM 1076 NZ LYS A 73 -12.477 -6.881 -17.927 1.00 0.00 N ATOM 0 H LYS A 73 -11.826 -7.392 -12.780 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.029 -9.728 -12.602 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.600 -9.617 -14.976 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.326 -9.808 -14.739 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.213 -7.028 -15.029 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.351 -8.033 -16.458 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.780 -8.440 -15.854 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.601 -7.282 -14.551 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.466 -5.968 -16.292 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.747 -5.637 -16.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.663 -6.077 -18.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.544 -7.285 -18.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.210 -7.606 -18.064 1.00 0.00 H new ATOM 1090 N TYR A 74 -9.208 -7.152 -11.748 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.211 -6.135 -11.436 1.00 0.00 C ATOM 1092 C TYR A 74 -7.390 -6.535 -10.214 1.00 0.00 C ATOM 1093 O TYR A 74 -7.833 -7.334 -9.388 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.888 -4.786 -11.190 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.844 -4.379 -12.289 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -9.421 -4.300 -13.610 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -11.169 -4.073 -12.006 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -10.291 -3.928 -14.617 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -12.046 -3.702 -13.007 1.00 0.00 C ATOM 1100 CZ TYR A 74 -11.602 -3.630 -14.311 1.00 0.00 C ATOM 1101 OH TYR A 74 -12.471 -3.260 -15.311 1.00 0.00 O ATOM 0 H TYR A 74 -9.872 -7.336 -10.996 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.539 -6.046 -12.290 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.430 -4.828 -10.245 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.122 -4.018 -11.084 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.395 -4.533 -13.854 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.520 -4.126 -10.986 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.946 -3.871 -15.639 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.074 -3.470 -12.770 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.356 -3.085 -14.928 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.192 -5.972 -10.104 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.307 -6.268 -8.984 1.00 0.00 C ATOM 1113 C PHE A 75 -5.846 -5.663 -7.690 1.00 0.00 C ATOM 1114 O PHE A 75 -6.394 -4.560 -7.689 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.900 -5.735 -9.262 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.984 -5.812 -8.074 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.914 -4.766 -7.168 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.194 -6.930 -7.863 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -2.071 -4.834 -6.075 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.349 -7.004 -6.772 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.289 -5.954 -5.876 1.00 0.00 C ATOM 0 H PHE A 75 -5.811 -5.307 -10.778 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.261 -7.351 -8.867 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.462 -6.300 -10.085 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.971 -4.698 -9.589 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.525 -3.888 -7.318 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.239 -7.754 -8.560 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.024 -4.011 -5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.737 -7.881 -6.620 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.631 -6.009 -5.021 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.686 -6.393 -6.591 1.00 0.00 N ATOM 1132 CA HIS A 76 -6.156 -5.929 -5.290 1.00 0.00 C ATOM 1133 C HIS A 76 -4.982 -5.648 -4.357 1.00 0.00 C ATOM 1134 O HIS A 76 -4.307 -6.559 -3.877 1.00 0.00 O ATOM 1135 CB HIS A 76 -7.086 -6.967 -4.661 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.497 -6.885 -5.155 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.566 -7.426 -4.473 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -9.012 -6.319 -6.272 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.678 -7.198 -5.149 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.369 -6.527 -6.244 1.00 0.00 N ATOM 0 H HIS A 76 -5.235 -7.308 -6.575 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.708 -5.001 -5.440 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.696 -7.964 -4.866 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.081 -6.839 -3.579 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.508 -7.925 -3.585 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.459 -5.801 -7.041 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.670 -7.507 -4.856 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.731 -4.357 -4.094 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.638 -3.926 -3.217 1.00 0.00 C ATOM 1150 C PRO A 77 -3.896 -4.275 -1.755 1.00 0.00 C ATOM 1151 O PRO A 77 -5.026 -4.542 -1.346 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.609 -2.407 -3.407 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.993 -2.051 -3.827 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.494 -3.219 -4.632 1.00 0.00 C ATOM 0 HA PRO A 77 -2.698 -4.419 -3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.332 -1.898 -2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.879 -2.116 -4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.630 -1.872 -2.961 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.998 -1.137 -4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.568 -3.361 -4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.311 -3.080 -5.698 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.824 -4.274 -0.948 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.910 -4.588 0.482 1.00 0.00 C ATOM 1164 C PRO A 78 -3.629 -3.500 1.272 1.00 0.00 C ATOM 1165 O PRO A 78 -4.074 -2.501 0.707 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.444 -4.681 0.913 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.707 -3.834 -0.066 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.447 -3.965 -1.368 1.00 0.00 C ATOM 0 HA PRO A 78 -3.482 -5.498 0.666 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.307 -4.319 1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.089 -5.711 0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.676 -2.795 0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.326 -4.166 -0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.401 -3.045 -1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.029 -4.757 -1.990 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.740 -3.701 2.581 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.403 -2.736 3.449 1.00 0.00 C ATOM 1178 C ALA A 79 -3.669 -1.399 3.445 1.00 0.00 C ATOM 1179 O ALA A 79 -4.215 -0.381 3.019 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.503 -3.281 4.865 1.00 0.00 C ATOM 0 H ALA A 79 -3.379 -4.524 3.064 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.409 -2.570 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.000 -2.550 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.078 -4.207 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.503 -3.478 5.251 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.428 -1.409 3.923 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.619 -0.197 3.975 1.00 0.00 C ATOM 1188 C HIS A 80 -1.794 0.628 2.703 1.00 0.00 C ATOM 1189 O HIS A 80 -2.018 1.838 2.761 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.144 -0.550 4.168 1.00 0.00 C ATOM 1191 CG HIS A 80 0.417 -1.400 3.069 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.424 -2.778 3.113 1.00 0.00 N ATOM 1193 CD2 HIS A 80 0.990 -1.059 1.891 1.00 0.00 C ATOM 1194 CE1 HIS A 80 0.980 -3.248 2.010 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.331 -2.225 1.252 1.00 0.00 N ATOM 0 H HIS A 80 -1.961 -2.243 4.280 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.956 0.399 4.823 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.436 0.371 4.236 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.025 -1.073 5.117 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.149 -0.056 1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.123 -4.291 1.769 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.782 -2.291 0.340 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.691 -0.033 1.556 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.837 0.639 0.269 1.00 0.00 C ATOM 1205 C LEU A 81 -3.273 1.110 0.061 1.00 0.00 C ATOM 1206 O LEU A 81 -3.523 2.298 -0.137 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.426 -0.299 -0.868 1.00 0.00 C ATOM 1208 CG LEU A 81 0.057 -0.292 -1.239 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.354 -1.371 -2.270 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.470 1.076 -1.763 1.00 0.00 C ATOM 0 H LEU A 81 -1.507 -1.034 1.490 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.184 1.511 0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.707 -1.316 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.003 -0.038 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 81 0.637 -0.505 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.414 -1.351 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.097 -2.347 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.236 -1.188 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.529 1.062 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.117 1.319 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.295 1.828 -0.994 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.212 0.170 0.110 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.622 0.490 -0.072 1.00 0.00 C ATOM 1224 C GLN A 82 -5.950 1.859 0.514 1.00 0.00 C ATOM 1225 O GLN A 82 -6.656 2.657 -0.103 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.498 -0.580 0.582 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.844 -1.734 -0.346 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.766 -2.748 0.302 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.988 -2.604 0.267 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -7.184 -3.782 0.898 1.00 0.00 N ATOM 0 H GLN A 82 -4.021 -0.818 0.274 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.827 0.514 -1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.984 -0.972 1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.421 -0.118 0.933 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.317 -1.342 -1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.926 -2.231 -0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.167 -3.862 0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.754 -4.497 1.351 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.432 2.125 1.709 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.668 3.399 2.378 1.00 0.00 C ATOM 1241 C ALA A 83 -5.169 4.565 1.530 1.00 0.00 C ATOM 1242 O ALA A 83 -5.926 5.480 1.207 1.00 0.00 O ATOM 1243 CB ALA A 83 -4.997 3.411 3.743 1.00 0.00 C ATOM 0 H ALA A 83 -4.846 1.475 2.234 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.743 3.516 2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.182 4.368 4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.404 2.607 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.923 3.267 3.622 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.890 4.525 1.174 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.288 5.577 0.363 1.00 0.00 C ATOM 1251 C LYS A 84 -4.289 6.123 -0.650 1.00 0.00 C ATOM 1252 O LYS A 84 -4.491 7.334 -0.747 1.00 0.00 O ATOM 1253 CB LYS A 84 -2.049 5.046 -0.362 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.761 5.226 0.422 1.00 0.00 C ATOM 1255 CD LYS A 84 0.438 5.369 -0.500 1.00 0.00 C ATOM 1256 CE LYS A 84 0.619 4.138 -1.374 1.00 0.00 C ATOM 1257 NZ LYS A 84 1.806 4.260 -2.265 1.00 0.00 N ATOM 0 H LYS A 84 -3.250 3.775 1.434 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.991 6.388 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.190 3.986 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.954 5.554 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.841 6.109 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.613 4.371 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.310 6.249 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.338 5.530 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.728 3.257 -0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.275 3.987 -1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.201 3.316 -2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.521 4.697 -3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.526 4.853 -1.805 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.912 5.223 -1.402 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.894 5.615 -2.406 1.00 0.00 C ATOM 1273 C ILE A 85 -7.148 6.187 -1.755 1.00 0.00 C ATOM 1274 O ILE A 85 -7.630 7.253 -2.139 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.290 4.425 -3.301 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -5.048 3.805 -3.943 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.278 4.871 -4.368 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.335 2.815 -3.048 1.00 0.00 C ATOM 0 H ILE A 85 -4.755 4.217 -1.336 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.426 6.383 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.771 3.668 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.338 3.304 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.355 4.600 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.548 4.019 -4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.173 5.270 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.821 5.644 -4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.464 2.416 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.014 3.316 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.012 1.999 -2.795 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.672 5.473 -0.765 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.869 5.909 -0.056 1.00 0.00 C ATOM 1292 C LYS A 86 -8.841 7.416 0.182 1.00 0.00 C ATOM 1293 O LYS A 86 -9.838 8.106 -0.033 1.00 0.00 O ATOM 1294 CB LYS A 86 -8.992 5.174 1.281 1.00 0.00 C ATOM 1295 CG LYS A 86 -9.375 3.711 1.137 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.167 3.221 2.337 1.00 0.00 C ATOM 1297 CE LYS A 86 -9.928 1.742 2.597 1.00 0.00 C ATOM 1298 NZ LYS A 86 -10.994 1.149 3.451 1.00 0.00 N ATOM 0 H LYS A 86 -7.286 4.588 -0.435 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.734 5.672 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.043 5.242 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.738 5.678 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.965 3.576 0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.474 3.108 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.886 3.796 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.230 3.395 2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.885 1.209 1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.960 1.610 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.794 0.140 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.019 1.641 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.915 1.252 2.978 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.694 7.920 0.624 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.536 9.345 0.887 1.00 0.00 C ATOM 1314 C ALA A 87 -8.157 10.180 -0.227 1.00 0.00 C ATOM 1315 O ALA A 87 -8.980 11.059 0.029 1.00 0.00 O ATOM 1316 CB ALA A 87 -6.064 9.691 1.051 1.00 0.00 C ATOM 0 H ALA A 87 -6.860 7.362 0.808 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.058 9.579 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.961 10.758 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.648 9.127 1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.526 9.436 0.138 1.00 0.00 H new ATOM 1322 N ALA A 88 -7.758 9.901 -1.463 1.00 0.00 N ATOM 1323 CA ALA A 88 -8.276 10.626 -2.616 1.00 0.00 C ATOM 1324 C ALA A 88 -9.793 10.766 -2.540 1.00 0.00 C ATOM 1325 O ALA A 88 -10.337 11.846 -2.767 1.00 0.00 O ATOM 1326 CB ALA A 88 -7.873 9.926 -3.905 1.00 0.00 C ATOM 0 H ALA A 88 -7.077 9.177 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.844 11.627 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.267 10.479 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.786 9.883 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.277 8.914 -3.911 1.00 0.00 H new ATOM 1332 N GLN A 89 -10.469 9.667 -2.220 1.00 0.00 N ATOM 1333 CA GLN A 89 -11.923 9.668 -2.116 1.00 0.00 C ATOM 1334 C GLN A 89 -12.378 10.402 -0.859 1.00 0.00 C ATOM 1335 O GLN A 89 -13.312 11.204 -0.899 1.00 0.00 O ATOM 1336 CB GLN A 89 -12.456 8.234 -2.104 1.00 0.00 C ATOM 1337 CG GLN A 89 -12.448 7.571 -3.472 1.00 0.00 C ATOM 1338 CD GLN A 89 -11.070 7.556 -4.105 1.00 0.00 C ATOM 1339 OE1 GLN A 89 -10.885 8.028 -5.227 1.00 0.00 O ATOM 1340 NE2 GLN A 89 -10.095 7.011 -3.388 1.00 0.00 N ATOM 0 H GLN A 89 -10.033 8.765 -2.028 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.324 10.190 -2.985 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.856 7.638 -1.417 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.475 8.237 -1.717 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.812 6.548 -3.378 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.140 8.096 -4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.294 6.632 -2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.147 6.971 -3.763 1.00 0.00 H new ATOM 1349 N HIS A 90 -11.713 10.122 0.257 1.00 0.00 N ATOM 1350 CA HIS A 90 -12.049 10.757 1.527 1.00 0.00 C ATOM 1351 C HIS A 90 -11.648 12.229 1.522 1.00 0.00 C ATOM 1352 O HIS A 90 -10.466 12.559 1.618 1.00 0.00 O ATOM 1353 CB HIS A 90 -11.358 10.032 2.682 1.00 0.00 C ATOM 1354 CG HIS A 90 -11.658 10.623 4.026 1.00 0.00 C ATOM 1355 ND1 HIS A 90 -12.940 10.870 4.470 1.00 0.00 N ATOM 1356 CD2 HIS A 90 -10.833 11.014 5.025 1.00 0.00 C ATOM 1357 CE1 HIS A 90 -12.890 11.390 5.683 1.00 0.00 C ATOM 1358 NE2 HIS A 90 -11.623 11.488 6.043 1.00 0.00 N ATOM 0 H HIS A 90 -10.939 9.460 0.308 1.00 0.00 H new ATOM 0 HA HIS A 90 -13.129 10.694 1.662 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.664 8.986 2.678 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.280 10.050 2.519 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -9.754 10.963 5.022 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -13.741 11.685 6.279 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -11.286 11.856 6.933 1.00 0.00 H new ATOM 1366 N GLN A 91 -12.639 13.107 1.409 1.00 0.00 N ATOM 1367 CA GLN A 91 -12.388 14.543 1.390 1.00 0.00 C ATOM 1368 C GLN A 91 -11.408 14.939 2.489 1.00 0.00 C ATOM 1369 O GLN A 91 -11.667 14.721 3.673 1.00 0.00 O ATOM 1370 CB GLN A 91 -13.699 15.313 1.557 1.00 0.00 C ATOM 1371 CG GLN A 91 -14.489 15.458 0.266 1.00 0.00 C ATOM 1372 CD GLN A 91 -15.384 16.681 0.263 1.00 0.00 C ATOM 1373 OE1 GLN A 91 -15.310 17.521 1.161 1.00 0.00 O ATOM 1374 NE2 GLN A 91 -16.236 16.790 -0.749 1.00 0.00 N ATOM 0 H GLN A 91 -13.623 12.849 1.329 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.946 14.797 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -14.318 14.804 2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -13.480 16.305 1.952 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.797 15.517 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -15.098 14.567 0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -16.264 16.071 -1.472 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -16.863 17.593 -0.804 1.00 0.00 H new ATOM 1383 N ALA A 92 -10.282 15.521 2.090 1.00 0.00 N ATOM 1384 CA ALA A 92 -9.264 15.949 3.041 1.00 0.00 C ATOM 1385 C ALA A 92 -8.374 17.032 2.442 1.00 0.00 C ATOM 1386 O ALA A 92 -7.757 16.834 1.396 1.00 0.00 O ATOM 1387 CB ALA A 92 -8.426 14.761 3.487 1.00 0.00 C ATOM 0 H ALA A 92 -10.052 15.707 1.114 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.768 16.370 3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.670 15.095 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.069 14.021 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.938 14.314 2.621 1.00 0.00 H new ATOM 1393 N ASN A 93 -8.312 18.179 3.112 1.00 0.00 N ATOM 1394 CA ASN A 93 -7.497 19.294 2.645 1.00 0.00 C ATOM 1395 C ASN A 93 -6.081 19.207 3.207 1.00 0.00 C ATOM 1396 O ASN A 93 -5.743 19.895 4.169 1.00 0.00 O ATOM 1397 CB ASN A 93 -8.137 20.624 3.047 1.00 0.00 C ATOM 1398 CG ASN A 93 -8.605 20.627 4.490 1.00 0.00 C ATOM 1399 OD1 ASN A 93 -9.576 19.956 4.840 1.00 0.00 O ATOM 1400 ND2 ASN A 93 -7.916 21.385 5.334 1.00 0.00 N ATOM 0 H ASN A 93 -8.817 18.360 3.980 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.441 19.240 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.418 21.430 2.899 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.984 20.829 2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.185 21.428 6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.118 21.925 5.000 1.00 0.00 H new ATOM 1407 N GLN A 94 -5.260 18.357 2.599 1.00 0.00 N ATOM 1408 CA GLN A 94 -3.881 18.180 3.039 1.00 0.00 C ATOM 1409 C GLN A 94 -2.937 18.082 1.846 1.00 0.00 C ATOM 1410 O GLN A 94 -3.376 18.028 0.697 1.00 0.00 O ATOM 1411 CB GLN A 94 -3.758 16.927 3.908 1.00 0.00 C ATOM 1412 CG GLN A 94 -3.969 17.191 5.390 1.00 0.00 C ATOM 1413 CD GLN A 94 -2.888 18.071 5.986 1.00 0.00 C ATOM 1414 OE1 GLN A 94 -1.848 18.302 5.367 1.00 0.00 O ATOM 1415 NE2 GLN A 94 -3.127 18.568 7.194 1.00 0.00 N ATOM 0 H GLN A 94 -5.526 17.780 1.801 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.600 19.052 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -4.486 16.189 3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -2.770 16.490 3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.940 17.665 5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -3.995 16.241 5.924 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -4.002 18.351 7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.435 19.167 7.645 1.00 0.00 H new ATOM 1424 N ALA A 95 -1.638 18.058 2.126 1.00 0.00 N ATOM 1425 CA ALA A 95 -0.632 17.964 1.075 1.00 0.00 C ATOM 1426 C ALA A 95 -0.446 16.520 0.621 1.00 0.00 C ATOM 1427 O ALA A 95 -0.135 15.642 1.425 1.00 0.00 O ATOM 1428 CB ALA A 95 0.690 18.542 1.557 1.00 0.00 C ATOM 0 H ALA A 95 -1.258 18.102 3.071 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.980 18.544 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.432 18.465 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.553 19.589 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.034 17.986 2.429 1.00 0.00 H new ATOM 1434 N ALA A 96 -0.639 16.282 -0.672 1.00 0.00 N ATOM 1435 CA ALA A 96 -0.491 14.944 -1.233 1.00 0.00 C ATOM 1436 C ALA A 96 -0.447 14.990 -2.756 1.00 0.00 C ATOM 1437 O ALA A 96 -1.110 15.817 -3.383 1.00 0.00 O ATOM 1438 CB ALA A 96 -1.626 14.046 -0.762 1.00 0.00 C ATOM 0 H ALA A 96 -0.898 16.998 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 96 0.454 14.531 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.503 13.050 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.610 13.980 0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -2.579 14.464 -1.086 1.00 0.00 H new ATOM 1444 N VAL A 97 0.339 14.096 -3.348 1.00 0.00 N ATOM 1445 CA VAL A 97 0.470 14.034 -4.798 1.00 0.00 C ATOM 1446 C VAL A 97 -0.732 13.340 -5.429 1.00 0.00 C ATOM 1447 O VAL A 97 -1.156 12.277 -4.976 1.00 0.00 O ATOM 1448 CB VAL A 97 1.754 13.292 -5.215 1.00 0.00 C ATOM 1449 CG1 VAL A 97 1.842 13.185 -6.730 1.00 0.00 C ATOM 1450 CG2 VAL A 97 2.981 13.993 -4.650 1.00 0.00 C ATOM 0 H VAL A 97 0.895 13.404 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 97 0.521 15.063 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 97 1.719 12.283 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.756 12.658 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.979 12.636 -7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.855 14.184 -7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.879 13.456 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.023 15.014 -5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.920 14.012 -3.562 1.00 0.00 H new ATOM 1460 N ALA A 98 -1.276 13.948 -6.478 1.00 0.00 N ATOM 1461 CA ALA A 98 -2.427 13.387 -7.174 1.00 0.00 C ATOM 1462 C ALA A 98 -2.092 12.032 -7.788 1.00 0.00 C ATOM 1463 O ALA A 98 -2.798 11.060 -7.523 1.00 0.00 O ATOM 1464 CB ALA A 98 -2.916 14.349 -8.247 1.00 0.00 C ATOM 0 H ALA A 98 -0.938 14.829 -6.864 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.223 13.238 -6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.776 13.917 -8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.205 15.293 -7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.117 14.527 -8.967 1.00 0.00 H new TER 1470 ALA A 98 HETATM 1471 ZN ZN A 201 9.331 -3.679 -4.067 1.00 0.00 ZN HETATM 1472 ZN ZN A 401 -12.099 -6.237 -7.304 1.00 0.00 ZN