USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 625 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 24 HIS HD1 : A 24 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 50 HIS HD1 : A 50 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.085 (180deg=0) USER MOD Single : A 2 SER OG : rot 17:sc= 0.943 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00343 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 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.861 X(o=-0.86,f=-1.3) USER MOD Single : A 31 MET CE :methyl -168:sc= -1.52 (180deg=-1.64) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0696 K(o=-0.07,f=-1.5!) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 1.84 (180deg=1.48) USER MOD Single : A 53 HIS : no HE2:sc= -2.31 K(o=-2.3,f=-3.3) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 57 SER OG : rot 86:sc= 0.0523 USER MOD Single : A 59 ASN : amide:sc= -2.85 K(o=-2.8,f=-5.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.43! C(o=-3.4!,f=-4.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.772 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -3:sc= 0.149! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.133 -52.257 25.843 1.00 0.00 N ATOM 2 CA GLY A 1 -23.032 -50.839 25.550 1.00 0.00 C ATOM 3 C GLY A 1 -22.933 -50.560 24.064 1.00 0.00 C ATOM 4 O GLY A 1 -22.696 -51.469 23.268 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.073 -52.464 26.238 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.997 -52.803 24.968 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.402 -52.522 26.533 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.903 -50.324 25.956 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.156 -50.429 26.053 1.00 0.00 H new ATOM 8 N SER A 2 -23.116 -49.298 23.687 1.00 0.00 N ATOM 9 CA SER A 2 -23.051 -48.902 22.285 1.00 0.00 C ATOM 10 C SER A 2 -22.775 -47.407 22.155 1.00 0.00 C ATOM 11 O SER A 2 -22.760 -46.679 23.148 1.00 0.00 O ATOM 12 CB SER A 2 -24.359 -49.254 21.573 1.00 0.00 C ATOM 13 OG SER A 2 -24.435 -50.643 21.303 1.00 0.00 O ATOM 0 H SER A 2 -23.310 -48.533 24.333 1.00 0.00 H new ATOM 0 HA SER A 2 -22.232 -49.447 21.816 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.205 -48.954 22.191 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.431 -48.695 20.640 1.00 0.00 H new ATOM 0 HG SER A 2 -23.775 -51.119 21.849 1.00 0.00 H new ATOM 19 N SER A 3 -22.556 -46.957 20.924 1.00 0.00 N ATOM 20 CA SER A 3 -22.276 -45.550 20.663 1.00 0.00 C ATOM 21 C SER A 3 -22.219 -45.277 19.163 1.00 0.00 C ATOM 22 O SER A 3 -22.339 -46.191 18.349 1.00 0.00 O ATOM 23 CB SER A 3 -20.956 -45.141 21.318 1.00 0.00 C ATOM 24 OG SER A 3 -20.905 -43.741 21.533 1.00 0.00 O ATOM 0 H SER A 3 -22.567 -47.546 20.092 1.00 0.00 H new ATOM 0 HA SER A 3 -23.085 -44.958 21.092 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.841 -45.662 22.268 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.123 -45.445 20.685 1.00 0.00 H new ATOM 0 HG SER A 3 -20.052 -43.506 21.954 1.00 0.00 H new ATOM 30 N GLY A 4 -22.034 -44.010 18.805 1.00 0.00 N ATOM 31 CA GLY A 4 -21.964 -43.637 17.404 1.00 0.00 C ATOM 32 C GLY A 4 -21.566 -42.187 17.209 1.00 0.00 C ATOM 33 O GLY A 4 -21.576 -41.401 18.156 1.00 0.00 O ATOM 0 H GLY A 4 -21.931 -43.235 19.460 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.245 -44.279 16.896 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.933 -43.811 16.936 1.00 0.00 H new ATOM 37 N SER A 5 -21.214 -41.832 15.978 1.00 0.00 N ATOM 38 CA SER A 5 -20.806 -40.468 15.662 1.00 0.00 C ATOM 39 C SER A 5 -20.666 -40.278 14.155 1.00 0.00 C ATOM 40 O SER A 5 -20.421 -41.232 13.418 1.00 0.00 O ATOM 41 CB SER A 5 -19.483 -40.137 16.355 1.00 0.00 C ATOM 42 OG SER A 5 -18.394 -40.771 15.706 1.00 0.00 O ATOM 0 H SER A 5 -21.203 -42.470 15.182 1.00 0.00 H new ATOM 0 HA SER A 5 -21.578 -39.790 16.025 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.330 -39.058 16.358 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.525 -40.455 17.397 1.00 0.00 H new ATOM 0 HG SER A 5 -17.560 -40.542 16.167 1.00 0.00 H new ATOM 48 N SER A 6 -20.825 -39.037 13.705 1.00 0.00 N ATOM 49 CA SER A 6 -20.721 -38.720 12.285 1.00 0.00 C ATOM 50 C SER A 6 -20.620 -37.213 12.071 1.00 0.00 C ATOM 51 O SER A 6 -21.003 -36.425 12.935 1.00 0.00 O ATOM 52 CB SER A 6 -21.928 -39.275 11.527 1.00 0.00 C ATOM 53 OG SER A 6 -21.689 -39.294 10.130 1.00 0.00 O ATOM 0 H SER A 6 -21.026 -38.235 14.303 1.00 0.00 H new ATOM 0 HA SER A 6 -19.814 -39.186 11.899 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.147 -40.284 11.875 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.807 -38.666 11.740 1.00 0.00 H new ATOM 0 HG SER A 6 -22.475 -39.655 9.669 1.00 0.00 H new ATOM 59 N GLY A 7 -20.100 -36.820 10.912 1.00 0.00 N ATOM 60 CA GLY A 7 -19.958 -35.409 10.604 1.00 0.00 C ATOM 61 C GLY A 7 -18.924 -35.152 9.525 1.00 0.00 C ATOM 62 O GLY A 7 -17.728 -35.346 9.743 1.00 0.00 O ATOM 0 H GLY A 7 -19.775 -37.453 10.181 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.921 -35.012 10.282 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.677 -34.869 11.508 1.00 0.00 H new ATOM 66 N VAL A 8 -19.385 -34.717 8.357 1.00 0.00 N ATOM 67 CA VAL A 8 -18.492 -34.435 7.240 1.00 0.00 C ATOM 68 C VAL A 8 -18.759 -33.051 6.659 1.00 0.00 C ATOM 69 O VAL A 8 -19.910 -32.659 6.470 1.00 0.00 O ATOM 70 CB VAL A 8 -18.639 -35.486 6.124 1.00 0.00 C ATOM 71 CG1 VAL A 8 -18.157 -36.846 6.603 1.00 0.00 C ATOM 72 CG2 VAL A 8 -20.083 -35.559 5.649 1.00 0.00 C ATOM 0 H VAL A 8 -20.372 -34.552 8.160 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.475 -34.472 7.631 1.00 0.00 H new ATOM 0 HB VAL A 8 -18.017 -35.185 5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -18.269 -37.575 5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.107 -36.780 6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.749 -37.160 7.463 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -20.169 -36.306 4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -20.727 -35.836 6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -20.388 -34.587 5.262 1.00 0.00 H new ATOM 82 N GLU A 9 -17.688 -32.316 6.377 1.00 0.00 N ATOM 83 CA GLU A 9 -17.808 -30.975 5.817 1.00 0.00 C ATOM 84 C GLU A 9 -17.211 -30.916 4.414 1.00 0.00 C ATOM 85 O GLU A 9 -16.178 -31.521 4.125 1.00 0.00 O ATOM 86 CB GLU A 9 -17.112 -29.956 6.722 1.00 0.00 C ATOM 87 CG GLU A 9 -17.764 -28.584 6.707 1.00 0.00 C ATOM 88 CD GLU A 9 -17.303 -27.707 7.855 1.00 0.00 C ATOM 89 OE1 GLU A 9 -17.887 -27.814 8.954 1.00 0.00 O ATOM 90 OE2 GLU A 9 -16.360 -26.914 7.655 1.00 0.00 O ATOM 0 H GLU A 9 -16.728 -32.626 6.527 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.868 -30.729 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -17.106 -30.335 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.072 -29.858 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.538 -28.089 5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -18.847 -28.700 6.755 1.00 0.00 H new ATOM 97 N PRO A 10 -17.876 -30.170 3.519 1.00 0.00 N ATOM 98 CA PRO A 10 -17.431 -30.013 2.131 1.00 0.00 C ATOM 99 C PRO A 10 -16.156 -29.184 2.022 1.00 0.00 C ATOM 100 O PRO A 10 -15.642 -28.682 3.022 1.00 0.00 O ATOM 101 CB PRO A 10 -18.601 -29.287 1.463 1.00 0.00 C ATOM 102 CG PRO A 10 -19.279 -28.560 2.573 1.00 0.00 C ATOM 103 CD PRO A 10 -19.114 -29.422 3.794 1.00 0.00 C ATOM 0 HA PRO A 10 -17.187 -30.970 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -18.252 -28.598 0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -19.278 -29.990 0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -18.833 -27.577 2.726 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -20.333 -28.400 2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -19.028 -28.823 4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -19.964 -30.090 3.932 1.00 0.00 H new ATOM 111 N VAL A 11 -15.651 -29.042 0.800 1.00 0.00 N ATOM 112 CA VAL A 11 -14.437 -28.271 0.560 1.00 0.00 C ATOM 113 C VAL A 11 -14.617 -27.314 -0.613 1.00 0.00 C ATOM 114 O VAL A 11 -14.935 -27.717 -1.732 1.00 0.00 O ATOM 115 CB VAL A 11 -13.235 -29.191 0.278 1.00 0.00 C ATOM 116 CG1 VAL A 11 -11.977 -28.369 0.042 1.00 0.00 C ATOM 117 CG2 VAL A 11 -13.034 -30.171 1.423 1.00 0.00 C ATOM 0 H VAL A 11 -16.064 -29.451 -0.038 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.241 -27.698 1.466 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.442 -29.763 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.138 -29.036 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.127 -27.712 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.763 -27.769 0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.180 -30.813 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.849 -29.620 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -13.928 -30.783 1.539 1.00 0.00 H new ATOM 127 N PRO A 12 -14.409 -26.014 -0.354 1.00 0.00 N ATOM 128 CA PRO A 12 -14.542 -24.972 -1.376 1.00 0.00 C ATOM 129 C PRO A 12 -13.434 -25.041 -2.421 1.00 0.00 C ATOM 130 O PRO A 12 -12.323 -24.562 -2.195 1.00 0.00 O ATOM 131 CB PRO A 12 -14.439 -23.673 -0.573 1.00 0.00 C ATOM 132 CG PRO A 12 -13.660 -24.039 0.642 1.00 0.00 C ATOM 133 CD PRO A 12 -14.028 -25.462 0.957 1.00 0.00 C ATOM 0 HA PRO A 12 -15.470 -25.069 -1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.937 -22.893 -1.145 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.425 -23.291 -0.310 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.589 -23.944 0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.903 -23.379 1.475 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.191 -26.006 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.851 -25.516 1.670 1.00 0.00 H new ATOM 141 N ASP A 13 -13.744 -25.640 -3.566 1.00 0.00 N ATOM 142 CA ASP A 13 -12.775 -25.770 -4.648 1.00 0.00 C ATOM 143 C ASP A 13 -12.906 -24.616 -5.637 1.00 0.00 C ATOM 144 O ASP A 13 -13.754 -24.643 -6.530 1.00 0.00 O ATOM 145 CB ASP A 13 -12.963 -27.104 -5.372 1.00 0.00 C ATOM 146 CG ASP A 13 -13.127 -28.266 -4.413 1.00 0.00 C ATOM 147 OD1 ASP A 13 -14.272 -28.528 -3.988 1.00 0.00 O ATOM 148 OD2 ASP A 13 -12.110 -28.914 -4.087 1.00 0.00 O ATOM 0 H ASP A 13 -14.659 -26.043 -3.769 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.776 -25.740 -4.213 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.839 -27.043 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.104 -27.288 -6.017 1.00 0.00 H new ATOM 153 N THR A 14 -12.061 -23.603 -5.473 1.00 0.00 N ATOM 154 CA THR A 14 -12.084 -22.439 -6.349 1.00 0.00 C ATOM 155 C THR A 14 -10.678 -21.900 -6.584 1.00 0.00 C ATOM 156 O THR A 14 -9.826 -21.953 -5.697 1.00 0.00 O ATOM 157 CB THR A 14 -12.962 -21.315 -5.767 1.00 0.00 C ATOM 158 OG1 THR A 14 -13.041 -20.226 -6.694 1.00 0.00 O ATOM 159 CG2 THR A 14 -12.401 -20.821 -4.443 1.00 0.00 C ATOM 0 H THR A 14 -11.352 -23.566 -4.741 1.00 0.00 H new ATOM 0 HA THR A 14 -12.508 -22.766 -7.298 1.00 0.00 H new ATOM 0 HB THR A 14 -13.960 -21.717 -5.593 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.602 -19.516 -6.318 1.00 0.00 H new ATOM 0 HG21 THR A 14 -13.038 -20.028 -4.051 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.369 -21.646 -3.731 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.393 -20.435 -4.596 1.00 0.00 H new ATOM 167 N HIS A 15 -10.441 -21.380 -7.785 1.00 0.00 N ATOM 168 CA HIS A 15 -9.137 -20.829 -8.135 1.00 0.00 C ATOM 169 C HIS A 15 -9.031 -19.369 -7.707 1.00 0.00 C ATOM 170 O HIS A 15 -9.391 -18.463 -8.459 1.00 0.00 O ATOM 171 CB HIS A 15 -8.897 -20.950 -9.641 1.00 0.00 C ATOM 172 CG HIS A 15 -8.615 -22.350 -10.092 1.00 0.00 C ATOM 173 ND1 HIS A 15 -9.355 -22.992 -11.062 1.00 0.00 N ATOM 174 CD2 HIS A 15 -7.665 -23.232 -9.701 1.00 0.00 C ATOM 175 CE1 HIS A 15 -8.875 -24.208 -11.247 1.00 0.00 C ATOM 176 NE2 HIS A 15 -7.848 -24.379 -10.433 1.00 0.00 N ATOM 0 H HIS A 15 -11.135 -21.329 -8.531 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.375 -21.400 -7.605 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.773 -20.576 -10.171 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.059 -20.312 -9.919 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.905 -23.064 -8.953 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.257 -24.939 -11.945 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.283 -25.225 -10.360 1.00 0.00 H new ATOM 184 N LEU A 16 -8.535 -19.148 -6.494 1.00 0.00 N ATOM 185 CA LEU A 16 -8.382 -17.797 -5.965 1.00 0.00 C ATOM 186 C LEU A 16 -7.056 -17.186 -6.408 1.00 0.00 C ATOM 187 O LEU A 16 -6.090 -17.157 -5.646 1.00 0.00 O ATOM 188 CB LEU A 16 -8.464 -17.814 -4.438 1.00 0.00 C ATOM 189 CG LEU A 16 -9.739 -18.410 -3.841 1.00 0.00 C ATOM 190 CD1 LEU A 16 -9.470 -18.960 -2.448 1.00 0.00 C ATOM 191 CD2 LEU A 16 -10.847 -17.368 -3.800 1.00 0.00 C ATOM 0 H LEU A 16 -8.232 -19.886 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.193 -17.185 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.611 -18.374 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.362 -16.791 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.065 -19.233 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.389 -19.380 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.709 -19.738 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.119 -18.156 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.747 -17.810 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.530 -16.524 -3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.059 -17.022 -4.812 1.00 0.00 H new ATOM 203 N ARG A 17 -7.019 -16.696 -7.643 1.00 0.00 N ATOM 204 CA ARG A 17 -5.813 -16.084 -8.186 1.00 0.00 C ATOM 205 C ARG A 17 -5.823 -14.574 -7.967 1.00 0.00 C ATOM 206 O ARG A 17 -4.928 -14.024 -7.328 1.00 0.00 O ATOM 207 CB ARG A 17 -5.688 -16.393 -9.680 1.00 0.00 C ATOM 208 CG ARG A 17 -4.328 -16.042 -10.262 1.00 0.00 C ATOM 209 CD ARG A 17 -4.056 -16.813 -11.544 1.00 0.00 C ATOM 210 NE ARG A 17 -4.637 -16.155 -12.711 1.00 0.00 N ATOM 211 CZ ARG A 17 -4.428 -16.556 -13.961 1.00 0.00 C ATOM 212 NH1 ARG A 17 -3.657 -17.607 -14.203 1.00 0.00 N ATOM 213 NH2 ARG A 17 -4.992 -15.905 -14.970 1.00 0.00 N ATOM 0 H ARG A 17 -7.811 -16.711 -8.286 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.955 -16.504 -7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.880 -17.454 -9.840 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.458 -15.844 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.282 -14.972 -10.463 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.550 -16.263 -9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.980 -16.916 -11.684 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.464 -17.820 -11.455 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.236 -15.343 -12.559 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.223 -18.110 -13.429 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.498 -17.913 -15.163 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.586 -15.096 -14.787 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.831 -16.213 -15.929 1.00 0.00 H new ATOM 227 N GLY A 18 -6.843 -13.910 -8.503 1.00 0.00 N ATOM 228 CA GLY A 18 -6.950 -12.470 -8.355 1.00 0.00 C ATOM 229 C GLY A 18 -6.776 -11.738 -9.671 1.00 0.00 C ATOM 230 O GLY A 18 -5.843 -10.951 -9.832 1.00 0.00 O ATOM 0 H GLY A 18 -7.597 -14.343 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.923 -12.223 -7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.197 -12.123 -7.648 1.00 0.00 H new ATOM 234 N ILE A 19 -7.675 -11.998 -10.614 1.00 0.00 N ATOM 235 CA ILE A 19 -7.616 -11.358 -11.922 1.00 0.00 C ATOM 236 C ILE A 19 -7.765 -9.846 -11.802 1.00 0.00 C ATOM 237 O ILE A 19 -6.903 -9.087 -12.246 1.00 0.00 O ATOM 238 CB ILE A 19 -8.709 -11.898 -12.863 1.00 0.00 C ATOM 239 CG1 ILE A 19 -8.548 -13.407 -13.056 1.00 0.00 C ATOM 240 CG2 ILE A 19 -8.658 -11.178 -14.203 1.00 0.00 C ATOM 241 CD1 ILE A 19 -9.832 -14.107 -13.441 1.00 0.00 C ATOM 0 H ILE A 19 -8.453 -12.647 -10.497 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.638 -11.591 -12.343 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.682 -11.711 -12.409 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.799 -13.589 -13.827 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.168 -13.845 -12.133 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.437 -11.571 -14.857 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.818 -10.111 -14.049 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.683 -11.336 -14.664 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.643 -15.174 -13.561 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.577 -13.956 -12.660 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.203 -13.696 -14.380 1.00 0.00 H new ATOM 253 N THR A 20 -8.866 -9.412 -11.195 1.00 0.00 N ATOM 254 CA THR A 20 -9.129 -7.990 -11.015 1.00 0.00 C ATOM 255 C THR A 20 -8.159 -7.374 -10.013 1.00 0.00 C ATOM 256 O THR A 20 -7.312 -8.066 -9.447 1.00 0.00 O ATOM 257 CB THR A 20 -10.571 -7.742 -10.534 1.00 0.00 C ATOM 258 OG1 THR A 20 -10.905 -8.664 -9.491 1.00 0.00 O ATOM 259 CG2 THR A 20 -11.557 -7.890 -11.683 1.00 0.00 C ATOM 0 H THR A 20 -9.589 -10.025 -10.820 1.00 0.00 H new ATOM 0 HA THR A 20 -8.992 -7.518 -11.988 1.00 0.00 H new ATOM 0 HB THR A 20 -10.633 -6.723 -10.151 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.823 -8.499 -9.190 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.569 -7.710 -11.320 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.318 -7.167 -12.463 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.492 -8.899 -12.091 1.00 0.00 H new ATOM 267 N CYS A 21 -8.288 -6.069 -9.797 1.00 0.00 N ATOM 268 CA CYS A 21 -7.423 -5.359 -8.862 1.00 0.00 C ATOM 269 C CYS A 21 -7.852 -5.617 -7.421 1.00 0.00 C ATOM 270 O CYS A 21 -9.028 -5.854 -7.144 1.00 0.00 O ATOM 271 CB CYS A 21 -7.447 -3.857 -9.153 1.00 0.00 C ATOM 272 SG CYS A 21 -6.802 -2.827 -7.796 1.00 0.00 S ATOM 0 H CYS A 21 -8.984 -5.482 -10.257 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.407 -5.731 -8.991 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.862 -3.662 -10.052 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.472 -3.556 -9.368 1.00 0.00 H new ATOM 277 N LEU A 22 -6.890 -5.568 -6.506 1.00 0.00 N ATOM 278 CA LEU A 22 -7.167 -5.796 -5.092 1.00 0.00 C ATOM 279 C LEU A 22 -8.160 -4.768 -4.559 1.00 0.00 C ATOM 280 O LEU A 22 -9.290 -5.105 -4.208 1.00 0.00 O ATOM 281 CB LEU A 22 -5.871 -5.737 -4.282 1.00 0.00 C ATOM 282 CG LEU A 22 -4.897 -6.898 -4.489 1.00 0.00 C ATOM 283 CD1 LEU A 22 -3.465 -6.443 -4.249 1.00 0.00 C ATOM 284 CD2 LEU A 22 -5.249 -8.060 -3.572 1.00 0.00 C ATOM 0 H LEU A 22 -5.912 -5.372 -6.718 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.608 -6.788 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.355 -4.808 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.129 -5.690 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.981 -7.237 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.786 -7.282 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.215 -5.644 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.366 -6.077 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.545 -8.877 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.194 -7.733 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.260 -8.403 -3.791 1.00 0.00 H new ATOM 296 N ASP A 23 -7.730 -3.512 -4.503 1.00 0.00 N ATOM 297 CA ASP A 23 -8.582 -2.433 -4.017 1.00 0.00 C ATOM 298 C ASP A 23 -9.902 -2.397 -4.780 1.00 0.00 C ATOM 299 O ASP A 23 -10.975 -2.302 -4.182 1.00 0.00 O ATOM 300 CB ASP A 23 -7.865 -1.089 -4.149 1.00 0.00 C ATOM 301 CG ASP A 23 -6.721 -0.943 -3.164 1.00 0.00 C ATOM 302 OD1 ASP A 23 -6.988 -0.924 -1.944 1.00 0.00 O ATOM 303 OD2 ASP A 23 -5.560 -0.849 -3.613 1.00 0.00 O ATOM 0 H ASP A 23 -6.796 -3.216 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.797 -2.619 -2.965 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.482 -0.983 -5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.581 -0.282 -3.992 1.00 0.00 H new ATOM 308 N HIS A 24 -9.816 -2.472 -6.105 1.00 0.00 N ATOM 309 CA HIS A 24 -11.004 -2.447 -6.950 1.00 0.00 C ATOM 310 C HIS A 24 -11.196 -3.786 -7.657 1.00 0.00 C ATOM 311 O HIS A 24 -10.439 -4.134 -8.562 1.00 0.00 O ATOM 312 CB HIS A 24 -10.899 -1.323 -7.981 1.00 0.00 C ATOM 313 CG HIS A 24 -10.245 -0.084 -7.452 1.00 0.00 C ATOM 314 ND1 HIS A 24 -8.884 0.133 -7.511 1.00 0.00 N ATOM 315 CD2 HIS A 24 -10.773 1.009 -6.853 1.00 0.00 C ATOM 316 CE1 HIS A 24 -8.604 1.304 -6.970 1.00 0.00 C ATOM 317 NE2 HIS A 24 -9.732 1.856 -6.562 1.00 0.00 N ATOM 0 H HIS A 24 -8.937 -2.550 -6.616 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.869 -2.265 -6.313 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.335 -1.682 -8.842 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.899 -1.073 -8.337 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.818 1.183 -6.643 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.619 1.737 -6.877 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.816 2.764 -6.105 1.00 0.00 H new ATOM 325 N GLU A 25 -12.213 -4.531 -7.236 1.00 0.00 N ATOM 326 CA GLU A 25 -12.502 -5.832 -7.828 1.00 0.00 C ATOM 327 C GLU A 25 -13.334 -5.679 -9.099 1.00 0.00 C ATOM 328 O GLU A 25 -14.193 -6.508 -9.394 1.00 0.00 O ATOM 329 CB GLU A 25 -13.242 -6.721 -6.826 1.00 0.00 C ATOM 330 CG GLU A 25 -14.697 -6.333 -6.628 1.00 0.00 C ATOM 331 CD GLU A 25 -15.201 -6.653 -5.234 1.00 0.00 C ATOM 332 OE1 GLU A 25 -15.322 -7.852 -4.906 1.00 0.00 O ATOM 333 OE2 GLU A 25 -15.475 -5.703 -4.470 1.00 0.00 O ATOM 0 H GLU A 25 -12.850 -4.256 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.554 -6.302 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.194 -7.756 -7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.729 -6.677 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.814 -5.266 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.312 -6.855 -7.361 1.00 0.00 H new ATOM 340 N ASN A 26 -13.070 -4.611 -9.846 1.00 0.00 N ATOM 341 CA ASN A 26 -13.795 -4.348 -11.084 1.00 0.00 C ATOM 342 C ASN A 26 -12.828 -4.066 -12.230 1.00 0.00 C ATOM 343 O ASN A 26 -13.039 -4.513 -13.357 1.00 0.00 O ATOM 344 CB ASN A 26 -14.745 -3.163 -10.901 1.00 0.00 C ATOM 345 CG ASN A 26 -15.946 -3.512 -10.043 1.00 0.00 C ATOM 346 OD1 ASN A 26 -17.009 -3.861 -10.555 1.00 0.00 O ATOM 347 ND2 ASN A 26 -15.780 -3.418 -8.728 1.00 0.00 N ATOM 0 H ASN A 26 -12.361 -3.915 -9.616 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.376 -5.236 -11.332 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.204 -2.334 -10.444 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.087 -2.821 -11.878 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.552 -3.640 -8.099 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -14.880 -3.124 -8.347 1.00 0.00 H new ATOM 354 N GLU A 27 -11.767 -3.322 -11.933 1.00 0.00 N ATOM 355 CA GLU A 27 -10.768 -2.981 -12.939 1.00 0.00 C ATOM 356 C GLU A 27 -9.577 -3.933 -12.868 1.00 0.00 C ATOM 357 O GLU A 27 -8.973 -4.113 -11.810 1.00 0.00 O ATOM 358 CB GLU A 27 -10.294 -1.539 -12.751 1.00 0.00 C ATOM 359 CG GLU A 27 -11.417 -0.517 -12.807 1.00 0.00 C ATOM 360 CD GLU A 27 -11.746 -0.089 -14.224 1.00 0.00 C ATOM 361 OE1 GLU A 27 -12.606 -0.740 -14.855 1.00 0.00 O ATOM 362 OE2 GLU A 27 -11.145 0.895 -14.702 1.00 0.00 O ATOM 0 H GLU A 27 -11.577 -2.944 -11.005 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.231 -3.078 -13.921 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.785 -1.455 -11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.561 -1.303 -13.522 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.309 -0.937 -12.342 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.135 0.359 -12.223 1.00 0.00 H new ATOM 369 N LYS A 28 -9.245 -4.541 -14.002 1.00 0.00 N ATOM 370 CA LYS A 28 -8.126 -5.474 -14.071 1.00 0.00 C ATOM 371 C LYS A 28 -6.795 -4.730 -14.059 1.00 0.00 C ATOM 372 O LYS A 28 -6.531 -3.897 -14.926 1.00 0.00 O ATOM 373 CB LYS A 28 -8.231 -6.335 -15.332 1.00 0.00 C ATOM 374 CG LYS A 28 -9.331 -7.380 -15.266 1.00 0.00 C ATOM 375 CD LYS A 28 -9.378 -8.221 -16.530 1.00 0.00 C ATOM 376 CE LYS A 28 -10.618 -9.101 -16.569 1.00 0.00 C ATOM 377 NZ LYS A 28 -11.767 -8.411 -17.218 1.00 0.00 N ATOM 0 H LYS A 28 -9.735 -4.404 -14.886 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.168 -6.119 -13.193 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.408 -5.687 -16.190 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.277 -6.834 -15.501 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.168 -8.027 -14.404 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.293 -6.888 -15.119 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.366 -7.568 -17.403 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.486 -8.845 -16.586 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.394 -10.021 -17.110 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.892 -9.387 -15.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.593 -9.043 -17.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.997 -7.547 -16.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.514 -8.160 -18.195 1.00 0.00 H new ATOM 391 N VAL A 29 -5.959 -5.036 -13.072 1.00 0.00 N ATOM 392 CA VAL A 29 -4.654 -4.398 -12.950 1.00 0.00 C ATOM 393 C VAL A 29 -4.003 -4.213 -14.316 1.00 0.00 C ATOM 394 O VAL A 29 -3.796 -5.176 -15.052 1.00 0.00 O ATOM 395 CB VAL A 29 -3.710 -5.218 -12.051 1.00 0.00 C ATOM 396 CG1 VAL A 29 -4.077 -5.037 -10.586 1.00 0.00 C ATOM 397 CG2 VAL A 29 -3.748 -6.688 -12.440 1.00 0.00 C ATOM 0 H VAL A 29 -6.162 -5.722 -12.345 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.821 -3.422 -12.495 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.693 -4.854 -12.194 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.399 -5.624 -9.966 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.994 -3.984 -10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.101 -5.374 -10.423 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.075 -7.253 -11.795 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.763 -7.068 -12.327 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.433 -6.798 -13.478 1.00 0.00 H new ATOM 407 N ASN A 30 -3.680 -2.966 -14.647 1.00 0.00 N ATOM 408 CA ASN A 30 -3.052 -2.654 -15.926 1.00 0.00 C ATOM 409 C ASN A 30 -1.650 -2.089 -15.719 1.00 0.00 C ATOM 410 O ASN A 30 -0.914 -1.861 -16.679 1.00 0.00 O ATOM 411 CB ASN A 30 -3.907 -1.654 -16.707 1.00 0.00 C ATOM 412 CG ASN A 30 -3.108 -0.907 -17.757 1.00 0.00 C ATOM 413 OD1 ASN A 30 -2.514 -1.513 -18.649 1.00 0.00 O ATOM 414 ND2 ASN A 30 -3.089 0.417 -17.655 1.00 0.00 N ATOM 0 H ASN A 30 -3.843 -2.157 -14.048 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.972 -3.578 -16.499 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.730 -2.182 -17.188 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.349 -0.939 -16.014 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.567 0.973 -18.332 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.596 0.878 -16.899 1.00 0.00 H new ATOM 421 N MET A 31 -1.288 -1.866 -14.460 1.00 0.00 N ATOM 422 CA MET A 31 0.027 -1.329 -14.127 1.00 0.00 C ATOM 423 C MET A 31 0.729 -2.210 -13.099 1.00 0.00 C ATOM 424 O MET A 31 0.118 -3.102 -12.511 1.00 0.00 O ATOM 425 CB MET A 31 -0.102 0.098 -13.591 1.00 0.00 C ATOM 426 CG MET A 31 -0.077 1.160 -14.677 1.00 0.00 C ATOM 427 SD MET A 31 -0.155 2.835 -14.014 1.00 0.00 S ATOM 428 CE MET A 31 -1.925 3.109 -13.994 1.00 0.00 C ATOM 0 H MET A 31 -1.886 -2.048 -13.654 1.00 0.00 H new ATOM 0 HA MET A 31 0.627 -1.314 -15.037 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.033 0.184 -13.031 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.710 0.288 -12.889 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.833 1.049 -15.267 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.917 1.002 -15.354 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.128 4.165 -13.814 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.349 2.817 -14.954 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.377 2.513 -13.201 1.00 0.00 H new ATOM 438 N TYR A 32 2.015 -1.954 -12.886 1.00 0.00 N ATOM 439 CA TYR A 32 2.801 -2.726 -11.931 1.00 0.00 C ATOM 440 C TYR A 32 3.548 -1.805 -10.971 1.00 0.00 C ATOM 441 O TYR A 32 4.574 -1.223 -11.322 1.00 0.00 O ATOM 442 CB TYR A 32 3.793 -3.629 -12.666 1.00 0.00 C ATOM 443 CG TYR A 32 4.944 -4.092 -11.802 1.00 0.00 C ATOM 444 CD1 TYR A 32 4.716 -4.699 -10.574 1.00 0.00 C ATOM 445 CD2 TYR A 32 6.260 -3.921 -12.214 1.00 0.00 C ATOM 446 CE1 TYR A 32 5.765 -5.124 -9.781 1.00 0.00 C ATOM 447 CE2 TYR A 32 7.315 -4.343 -11.429 1.00 0.00 C ATOM 448 CZ TYR A 32 7.063 -4.944 -10.213 1.00 0.00 C ATOM 449 OH TYR A 32 8.111 -5.364 -9.427 1.00 0.00 O ATOM 0 H TYR A 32 2.535 -1.217 -13.362 1.00 0.00 H new ATOM 0 HA TYR A 32 2.116 -3.346 -11.352 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.263 -4.501 -13.049 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.189 -3.093 -13.528 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.701 -4.841 -10.233 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.461 -3.450 -13.165 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.570 -5.594 -8.829 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.332 -4.203 -11.765 1.00 0.00 H new ATOM 0 HH TYR A 32 8.958 -5.164 -9.877 1.00 0.00 H new ATOM 459 N CYS A 33 3.026 -1.679 -9.755 1.00 0.00 N ATOM 460 CA CYS A 33 3.642 -0.831 -8.742 1.00 0.00 C ATOM 461 C CYS A 33 4.991 -1.395 -8.307 1.00 0.00 C ATOM 462 O CYS A 33 5.063 -2.254 -7.428 1.00 0.00 O ATOM 463 CB CYS A 33 2.718 -0.696 -7.530 1.00 0.00 C ATOM 464 SG CYS A 33 3.317 0.470 -6.265 1.00 0.00 S ATOM 0 H CYS A 33 2.177 -2.154 -9.448 1.00 0.00 H new ATOM 0 HA CYS A 33 3.804 0.155 -9.178 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.734 -0.372 -7.871 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.590 -1.677 -7.073 1.00 0.00 H new ATOM 469 N VAL A 34 6.059 -0.905 -8.928 1.00 0.00 N ATOM 470 CA VAL A 34 7.407 -1.358 -8.605 1.00 0.00 C ATOM 471 C VAL A 34 7.762 -1.037 -7.158 1.00 0.00 C ATOM 472 O VAL A 34 8.421 -1.825 -6.480 1.00 0.00 O ATOM 473 CB VAL A 34 8.453 -0.715 -9.534 1.00 0.00 C ATOM 474 CG1 VAL A 34 9.859 -1.113 -9.111 1.00 0.00 C ATOM 475 CG2 VAL A 34 8.193 -1.107 -10.981 1.00 0.00 C ATOM 0 H VAL A 34 6.017 -0.194 -9.658 1.00 0.00 H new ATOM 0 HA VAL A 34 7.421 -2.438 -8.748 1.00 0.00 H new ATOM 0 HB VAL A 34 8.367 0.369 -9.454 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.585 -0.649 -9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.040 -0.778 -8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.961 -2.197 -9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.942 -0.644 -11.624 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.250 -2.191 -11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.200 -0.768 -11.277 1.00 0.00 H new ATOM 485 N SER A 35 7.321 0.126 -6.690 1.00 0.00 N ATOM 486 CA SER A 35 7.596 0.554 -5.324 1.00 0.00 C ATOM 487 C SER A 35 7.275 -0.559 -4.331 1.00 0.00 C ATOM 488 O SER A 35 8.139 -0.995 -3.570 1.00 0.00 O ATOM 489 CB SER A 35 6.782 1.805 -4.985 1.00 0.00 C ATOM 490 OG SER A 35 7.408 2.973 -5.487 1.00 0.00 O ATOM 0 H SER A 35 6.772 0.789 -7.237 1.00 0.00 H new ATOM 0 HA SER A 35 8.658 0.789 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.781 1.716 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.667 1.886 -3.904 1.00 0.00 H new ATOM 0 HG SER A 35 6.867 3.758 -5.259 1.00 0.00 H new ATOM 496 N ASP A 36 6.027 -1.014 -4.345 1.00 0.00 N ATOM 497 CA ASP A 36 5.591 -2.077 -3.447 1.00 0.00 C ATOM 498 C ASP A 36 5.515 -3.412 -4.182 1.00 0.00 C ATOM 499 O ASP A 36 4.829 -4.335 -3.744 1.00 0.00 O ATOM 500 CB ASP A 36 4.228 -1.736 -2.842 1.00 0.00 C ATOM 501 CG ASP A 36 4.042 -0.245 -2.638 1.00 0.00 C ATOM 502 OD1 ASP A 36 4.733 0.324 -1.767 1.00 0.00 O ATOM 503 OD2 ASP A 36 3.206 0.352 -3.348 1.00 0.00 O ATOM 0 H ASP A 36 5.300 -0.663 -4.968 1.00 0.00 H new ATOM 0 HA ASP A 36 6.324 -2.165 -2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.440 -2.112 -3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.120 -2.247 -1.885 1.00 0.00 H new ATOM 508 N ASP A 37 6.224 -3.506 -5.302 1.00 0.00 N ATOM 509 CA ASP A 37 6.237 -4.727 -6.098 1.00 0.00 C ATOM 510 C ASP A 37 4.859 -5.382 -6.112 1.00 0.00 C ATOM 511 O ASP A 37 4.731 -6.584 -5.879 1.00 0.00 O ATOM 512 CB ASP A 37 7.276 -5.707 -5.551 1.00 0.00 C ATOM 513 CG ASP A 37 7.159 -5.897 -4.051 1.00 0.00 C ATOM 514 OD1 ASP A 37 7.400 -4.923 -3.309 1.00 0.00 O ATOM 515 OD2 ASP A 37 6.826 -7.021 -3.620 1.00 0.00 O ATOM 0 H ASP A 37 6.797 -2.751 -5.679 1.00 0.00 H new ATOM 0 HA ASP A 37 6.503 -4.461 -7.121 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.159 -6.671 -6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.275 -5.344 -5.792 1.00 0.00 H new ATOM 520 N GLN A 38 3.832 -4.584 -6.384 1.00 0.00 N ATOM 521 CA GLN A 38 2.464 -5.086 -6.425 1.00 0.00 C ATOM 522 C GLN A 38 1.764 -4.654 -7.709 1.00 0.00 C ATOM 523 O GLN A 38 2.081 -3.609 -8.280 1.00 0.00 O ATOM 524 CB GLN A 38 1.679 -4.590 -5.210 1.00 0.00 C ATOM 525 CG GLN A 38 0.524 -5.498 -4.819 1.00 0.00 C ATOM 526 CD GLN A 38 0.972 -6.695 -4.005 1.00 0.00 C ATOM 527 OE1 GLN A 38 1.983 -6.640 -3.303 1.00 0.00 O ATOM 528 NE2 GLN A 38 0.221 -7.786 -4.092 1.00 0.00 N ATOM 0 H GLN A 38 3.921 -3.587 -6.579 1.00 0.00 H new ATOM 0 HA GLN A 38 2.503 -6.175 -6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.358 -4.495 -4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.291 -3.593 -5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.205 -4.926 -4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.019 -5.845 -5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.608 -7.788 -4.686 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.473 -8.622 -3.565 1.00 0.00 H new ATOM 537 N LEU A 39 0.811 -5.462 -8.158 1.00 0.00 N ATOM 538 CA LEU A 39 0.065 -5.163 -9.376 1.00 0.00 C ATOM 539 C LEU A 39 -1.173 -4.328 -9.065 1.00 0.00 C ATOM 540 O LEU A 39 -2.110 -4.805 -8.424 1.00 0.00 O ATOM 541 CB LEU A 39 -0.344 -6.459 -10.078 1.00 0.00 C ATOM 542 CG LEU A 39 0.801 -7.344 -10.573 1.00 0.00 C ATOM 543 CD1 LEU A 39 0.310 -8.762 -10.824 1.00 0.00 C ATOM 544 CD2 LEU A 39 1.419 -6.761 -11.835 1.00 0.00 C ATOM 0 H LEU A 39 0.536 -6.330 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 39 0.713 -4.587 -10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.957 -7.043 -9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.974 -6.204 -10.930 1.00 0.00 H new ATOM 0 HG LEU A 39 1.568 -7.378 -9.799 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.138 -9.377 -11.176 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.084 -9.180 -9.898 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.476 -8.747 -11.579 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.232 -7.404 -12.173 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.660 -6.695 -12.615 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.808 -5.765 -11.623 1.00 0.00 H new ATOM 556 N ILE A 40 -1.170 -3.082 -9.525 1.00 0.00 N ATOM 557 CA ILE A 40 -2.294 -2.182 -9.299 1.00 0.00 C ATOM 558 C ILE A 40 -2.986 -1.825 -10.611 1.00 0.00 C ATOM 559 O ILE A 40 -2.550 -2.236 -11.687 1.00 0.00 O ATOM 560 CB ILE A 40 -1.846 -0.885 -8.600 1.00 0.00 C ATOM 561 CG1 ILE A 40 -0.955 -0.060 -9.530 1.00 0.00 C ATOM 562 CG2 ILE A 40 -1.114 -1.208 -7.305 1.00 0.00 C ATOM 563 CD1 ILE A 40 -1.051 1.431 -9.293 1.00 0.00 C ATOM 0 H ILE A 40 -0.402 -2.672 -10.057 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.995 -2.710 -8.653 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.730 -0.295 -8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.081 -0.374 -9.401 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.226 -0.274 -10.564 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.803 -0.282 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.778 -1.759 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.236 -1.815 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.393 1.953 -9.988 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.078 1.759 -9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.751 1.657 -8.270 1.00 0.00 H new ATOM 575 N CYS A 41 -4.066 -1.057 -10.514 1.00 0.00 N ATOM 576 CA CYS A 41 -4.818 -0.643 -11.692 1.00 0.00 C ATOM 577 C CYS A 41 -4.729 0.867 -11.891 1.00 0.00 C ATOM 578 O CYS A 41 -4.094 1.571 -11.106 1.00 0.00 O ATOM 579 CB CYS A 41 -6.283 -1.066 -11.562 1.00 0.00 C ATOM 580 SG CYS A 41 -7.248 -0.055 -10.394 1.00 0.00 S ATOM 0 H CYS A 41 -4.440 -0.709 -9.631 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.381 -1.133 -12.562 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.753 -1.015 -12.544 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.322 -2.108 -11.243 1.00 0.00 H new ATOM 585 N ALA A 42 -5.371 1.358 -12.946 1.00 0.00 N ATOM 586 CA ALA A 42 -5.367 2.784 -13.247 1.00 0.00 C ATOM 587 C ALA A 42 -5.989 3.587 -12.110 1.00 0.00 C ATOM 588 O ALA A 42 -5.449 4.612 -11.691 1.00 0.00 O ATOM 589 CB ALA A 42 -6.106 3.051 -14.550 1.00 0.00 C ATOM 0 H ALA A 42 -5.900 0.789 -13.606 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.331 3.103 -13.358 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.095 4.120 -14.762 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.616 2.515 -15.363 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.137 2.710 -14.460 1.00 0.00 H new ATOM 595 N LEU A 43 -7.129 3.117 -11.615 1.00 0.00 N ATOM 596 CA LEU A 43 -7.826 3.793 -10.525 1.00 0.00 C ATOM 597 C LEU A 43 -6.929 3.914 -9.297 1.00 0.00 C ATOM 598 O LEU A 43 -7.021 4.882 -8.541 1.00 0.00 O ATOM 599 CB LEU A 43 -9.104 3.034 -10.164 1.00 0.00 C ATOM 600 CG LEU A 43 -10.349 3.391 -10.977 1.00 0.00 C ATOM 601 CD1 LEU A 43 -11.483 2.426 -10.668 1.00 0.00 C ATOM 602 CD2 LEU A 43 -10.775 4.825 -10.698 1.00 0.00 C ATOM 0 H LEU A 43 -7.590 2.271 -11.950 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.088 4.796 -10.861 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.914 1.967 -10.278 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.321 3.208 -9.110 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.105 3.305 -12.036 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.361 2.696 -11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.176 1.411 -10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.727 2.479 -9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.662 5.062 -11.285 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.001 4.938 -9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.967 5.504 -10.971 1.00 0.00 H new ATOM 614 N CYS A 44 -6.059 2.928 -9.106 1.00 0.00 N ATOM 615 CA CYS A 44 -5.144 2.924 -7.972 1.00 0.00 C ATOM 616 C CYS A 44 -4.163 4.090 -8.060 1.00 0.00 C ATOM 617 O CYS A 44 -3.855 4.734 -7.058 1.00 0.00 O ATOM 618 CB CYS A 44 -4.376 1.602 -7.913 1.00 0.00 C ATOM 619 SG CYS A 44 -5.245 0.278 -7.013 1.00 0.00 S ATOM 0 H CYS A 44 -5.969 2.121 -9.723 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.734 3.035 -7.062 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.176 1.265 -8.930 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.410 1.776 -7.439 1.00 0.00 H new ATOM 624 N LYS A 45 -3.677 4.357 -9.268 1.00 0.00 N ATOM 625 CA LYS A 45 -2.733 5.446 -9.490 1.00 0.00 C ATOM 626 C LYS A 45 -3.465 6.769 -9.687 1.00 0.00 C ATOM 627 O LYS A 45 -2.927 7.838 -9.395 1.00 0.00 O ATOM 628 CB LYS A 45 -1.857 5.148 -10.709 1.00 0.00 C ATOM 629 CG LYS A 45 -0.914 6.282 -11.072 1.00 0.00 C ATOM 630 CD LYS A 45 0.377 6.210 -10.275 1.00 0.00 C ATOM 631 CE LYS A 45 1.537 6.837 -11.034 1.00 0.00 C ATOM 632 NZ LYS A 45 2.676 7.166 -10.134 1.00 0.00 N ATOM 0 H LYS A 45 -3.922 3.834 -10.109 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.099 5.530 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.273 4.249 -10.515 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.499 4.933 -11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.688 6.241 -12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.404 7.238 -10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.246 6.721 -9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.609 5.169 -10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.875 6.152 -11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.196 7.743 -11.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.304 7.849 -10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.313 7.580 -9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.208 6.299 -9.917 1.00 0.00 H new ATOM 646 N LEU A 46 -4.695 6.691 -10.184 1.00 0.00 N ATOM 647 CA LEU A 46 -5.502 7.883 -10.419 1.00 0.00 C ATOM 648 C LEU A 46 -5.839 8.580 -9.105 1.00 0.00 C ATOM 649 O LEU A 46 -5.464 9.732 -8.887 1.00 0.00 O ATOM 650 CB LEU A 46 -6.790 7.513 -11.158 1.00 0.00 C ATOM 651 CG LEU A 46 -6.727 7.571 -12.685 1.00 0.00 C ATOM 652 CD1 LEU A 46 -5.574 6.726 -13.204 1.00 0.00 C ATOM 653 CD2 LEU A 46 -8.044 7.108 -13.291 1.00 0.00 C ATOM 0 H LEU A 46 -5.155 5.815 -10.432 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.921 8.570 -11.035 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.077 6.503 -10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.583 8.180 -10.821 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.556 8.605 -12.983 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.545 6.779 -14.292 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.635 7.102 -12.797 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.714 5.690 -12.895 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.981 7.156 -14.378 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.245 6.082 -12.984 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.851 7.754 -12.945 1.00 0.00 H new ATOM 665 N VAL A 47 -6.548 7.873 -8.231 1.00 0.00 N ATOM 666 CA VAL A 47 -6.933 8.423 -6.936 1.00 0.00 C ATOM 667 C VAL A 47 -6.471 7.521 -5.797 1.00 0.00 C ATOM 668 O VAL A 47 -6.262 7.979 -4.674 1.00 0.00 O ATOM 669 CB VAL A 47 -8.458 8.614 -6.838 1.00 0.00 C ATOM 670 CG1 VAL A 47 -8.920 9.713 -7.782 1.00 0.00 C ATOM 671 CG2 VAL A 47 -9.178 7.307 -7.136 1.00 0.00 C ATOM 0 H VAL A 47 -6.868 6.918 -8.396 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.446 9.394 -6.847 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.705 8.915 -5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.000 9.834 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.429 10.650 -7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.663 9.445 -8.807 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.255 7.460 -7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.927 6.975 -8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.869 6.549 -6.416 1.00 0.00 H new ATOM 681 N GLY A 48 -6.311 6.235 -6.095 1.00 0.00 N ATOM 682 CA GLY A 48 -5.874 5.288 -5.085 1.00 0.00 C ATOM 683 C GLY A 48 -4.640 5.762 -4.342 1.00 0.00 C ATOM 684 O GLY A 48 -4.134 6.854 -4.599 1.00 0.00 O ATOM 0 H GLY A 48 -6.476 5.832 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.682 5.122 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.664 4.328 -5.557 1.00 0.00 H new ATOM 688 N ARG A 49 -4.157 4.940 -3.417 1.00 0.00 N ATOM 689 CA ARG A 49 -2.977 5.282 -2.632 1.00 0.00 C ATOM 690 C ARG A 49 -1.700 4.892 -3.371 1.00 0.00 C ATOM 691 O ARG A 49 -0.711 4.494 -2.755 1.00 0.00 O ATOM 692 CB ARG A 49 -3.024 4.585 -1.271 1.00 0.00 C ATOM 693 CG ARG A 49 -3.200 3.078 -1.363 1.00 0.00 C ATOM 694 CD ARG A 49 -2.637 2.375 -0.139 1.00 0.00 C ATOM 695 NE ARG A 49 -3.628 2.256 0.928 1.00 0.00 N ATOM 696 CZ ARG A 49 -3.321 1.959 2.186 1.00 0.00 C ATOM 697 NH1 ARG A 49 -2.058 1.752 2.533 1.00 0.00 N ATOM 698 NH2 ARG A 49 -4.279 1.868 3.100 1.00 0.00 N ATOM 0 H ARG A 49 -4.564 4.032 -3.193 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.973 6.361 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.103 4.802 -0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.844 5.003 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.259 2.840 -1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.702 2.707 -2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.286 1.382 -0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.772 2.926 0.230 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.609 2.409 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.319 1.821 1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.825 1.524 3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.252 2.026 2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.043 1.640 4.066 1.00 0.00 H new ATOM 712 N HIS A 50 -1.730 5.008 -4.695 1.00 0.00 N ATOM 713 CA HIS A 50 -0.575 4.667 -5.518 1.00 0.00 C ATOM 714 C HIS A 50 -0.239 5.804 -6.479 1.00 0.00 C ATOM 715 O HIS A 50 0.471 5.606 -7.465 1.00 0.00 O ATOM 716 CB HIS A 50 -0.843 3.383 -6.303 1.00 0.00 C ATOM 717 CG HIS A 50 -1.050 2.181 -5.433 1.00 0.00 C ATOM 718 ND1 HIS A 50 -0.033 1.316 -5.090 1.00 0.00 N ATOM 719 CD2 HIS A 50 -2.166 1.704 -4.834 1.00 0.00 C ATOM 720 CE1 HIS A 50 -0.515 0.357 -4.319 1.00 0.00 C ATOM 721 NE2 HIS A 50 -1.807 0.570 -4.148 1.00 0.00 N ATOM 0 H HIS A 50 -2.541 5.335 -5.220 1.00 0.00 H new ATOM 0 HA HIS A 50 0.277 4.509 -4.857 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.725 3.526 -6.927 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.005 3.196 -6.974 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -3.155 2.135 -4.886 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.051 -0.462 -3.900 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.436 -0.013 -3.596 1.00 0.00 H new ATOM 729 N ARG A 51 -0.755 6.993 -6.185 1.00 0.00 N ATOM 730 CA ARG A 51 -0.511 8.160 -7.024 1.00 0.00 C ATOM 731 C ARG A 51 0.980 8.477 -7.094 1.00 0.00 C ATOM 732 O ARG A 51 1.515 8.761 -8.166 1.00 0.00 O ATOM 733 CB ARG A 51 -1.276 9.370 -6.485 1.00 0.00 C ATOM 734 CG ARG A 51 -2.782 9.173 -6.452 1.00 0.00 C ATOM 735 CD ARG A 51 -3.489 10.377 -5.849 1.00 0.00 C ATOM 736 NE ARG A 51 -3.322 10.439 -4.399 1.00 0.00 N ATOM 737 CZ ARG A 51 -4.125 11.129 -3.596 1.00 0.00 C ATOM 738 NH1 ARG A 51 -5.144 11.812 -4.100 1.00 0.00 N ATOM 739 NH2 ARG A 51 -3.909 11.137 -2.287 1.00 0.00 N ATOM 0 H ARG A 51 -1.344 7.173 -5.372 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.864 7.934 -8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.925 9.592 -5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.045 10.239 -7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.150 9.003 -7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.021 8.282 -5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.098 11.290 -6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.551 10.332 -6.090 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.547 9.925 -3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.313 11.808 -5.106 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.759 12.341 -3.482 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.126 10.613 -1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.526 11.667 -1.672 1.00 0.00 H new ATOM 753 N ASP A 52 1.645 8.427 -5.945 1.00 0.00 N ATOM 754 CA ASP A 52 3.074 8.709 -5.875 1.00 0.00 C ATOM 755 C ASP A 52 3.878 7.416 -5.779 1.00 0.00 C ATOM 756 O ASP A 52 4.459 7.110 -4.737 1.00 0.00 O ATOM 757 CB ASP A 52 3.381 9.605 -4.675 1.00 0.00 C ATOM 758 CG ASP A 52 2.402 10.756 -4.545 1.00 0.00 C ATOM 759 OD1 ASP A 52 2.309 11.564 -5.492 1.00 0.00 O ATOM 760 OD2 ASP A 52 1.729 10.847 -3.497 1.00 0.00 O ATOM 0 H ASP A 52 1.217 8.194 -5.049 1.00 0.00 H new ATOM 0 HA ASP A 52 3.362 9.229 -6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.357 9.007 -3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.392 10.001 -4.770 1.00 0.00 H new ATOM 765 N HIS A 53 3.907 6.661 -6.872 1.00 0.00 N ATOM 766 CA HIS A 53 4.640 5.400 -6.912 1.00 0.00 C ATOM 767 C HIS A 53 5.277 5.184 -8.281 1.00 0.00 C ATOM 768 O HIS A 53 4.993 5.915 -9.230 1.00 0.00 O ATOM 769 CB HIS A 53 3.708 4.234 -6.580 1.00 0.00 C ATOM 770 CG HIS A 53 3.484 4.045 -5.112 1.00 0.00 C ATOM 771 ND1 HIS A 53 2.428 3.322 -4.599 1.00 0.00 N ATOM 772 CD2 HIS A 53 4.189 4.488 -4.044 1.00 0.00 C ATOM 773 CE1 HIS A 53 2.491 3.330 -3.279 1.00 0.00 C ATOM 774 NE2 HIS A 53 3.551 4.030 -2.917 1.00 0.00 N ATOM 0 H HIS A 53 3.432 6.900 -7.742 1.00 0.00 H new ATOM 0 HA HIS A 53 5.433 5.446 -6.166 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.747 4.398 -7.068 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.125 3.317 -6.997 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.710 2.854 -5.152 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.086 5.089 -4.073 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.794 2.847 -2.610 1.00 0.00 H new ATOM 782 N GLN A 54 6.141 4.178 -8.374 1.00 0.00 N ATOM 783 CA GLN A 54 6.819 3.868 -9.627 1.00 0.00 C ATOM 784 C GLN A 54 6.117 2.730 -10.360 1.00 0.00 C ATOM 785 O GLN A 54 6.436 1.558 -10.159 1.00 0.00 O ATOM 786 CB GLN A 54 8.279 3.496 -9.363 1.00 0.00 C ATOM 787 CG GLN A 54 9.048 3.117 -10.619 1.00 0.00 C ATOM 788 CD GLN A 54 10.355 2.414 -10.313 1.00 0.00 C ATOM 789 OE1 GLN A 54 10.864 2.483 -9.193 1.00 0.00 O ATOM 790 NE2 GLN A 54 10.907 1.730 -11.308 1.00 0.00 N ATOM 0 H GLN A 54 6.388 3.564 -7.597 1.00 0.00 H new ATOM 0 HA GLN A 54 6.786 4.757 -10.257 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.778 4.337 -8.882 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.312 2.662 -8.662 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.428 2.469 -11.239 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.251 4.016 -11.201 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.451 1.699 -12.220 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.787 1.235 -11.160 1.00 0.00 H new ATOM 799 N VAL A 55 5.158 3.083 -11.210 1.00 0.00 N ATOM 800 CA VAL A 55 4.410 2.091 -11.974 1.00 0.00 C ATOM 801 C VAL A 55 4.947 1.972 -13.395 1.00 0.00 C ATOM 802 O VAL A 55 5.116 2.973 -14.091 1.00 0.00 O ATOM 803 CB VAL A 55 2.911 2.440 -12.031 1.00 0.00 C ATOM 804 CG1 VAL A 55 2.297 2.385 -10.640 1.00 0.00 C ATOM 805 CG2 VAL A 55 2.707 3.810 -12.659 1.00 0.00 C ATOM 0 H VAL A 55 4.881 4.048 -11.387 1.00 0.00 H new ATOM 0 HA VAL A 55 4.534 1.137 -11.461 1.00 0.00 H new ATOM 0 HB VAL A 55 2.407 1.701 -12.654 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.238 2.634 -10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.411 1.381 -10.231 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.802 3.100 -9.991 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.642 4.041 -12.691 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.223 4.563 -12.064 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.109 3.809 -13.672 1.00 0.00 H new ATOM 815 N ALA A 56 5.214 0.742 -13.821 1.00 0.00 N ATOM 816 CA ALA A 56 5.730 0.491 -15.161 1.00 0.00 C ATOM 817 C ALA A 56 4.642 -0.066 -16.073 1.00 0.00 C ATOM 818 O ALA A 56 4.416 -1.275 -16.118 1.00 0.00 O ATOM 819 CB ALA A 56 6.912 -0.465 -15.101 1.00 0.00 C ATOM 0 H ALA A 56 5.081 -0.097 -13.257 1.00 0.00 H new ATOM 0 HA ALA A 56 6.066 1.440 -15.578 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.287 -0.643 -16.109 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.703 -0.028 -14.491 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.594 -1.410 -14.660 1.00 0.00 H new ATOM 825 N SER A 57 3.970 0.824 -16.797 1.00 0.00 N ATOM 826 CA SER A 57 2.903 0.421 -17.705 1.00 0.00 C ATOM 827 C SER A 57 3.285 -0.845 -18.465 1.00 0.00 C ATOM 828 O SER A 57 4.417 -0.988 -18.928 1.00 0.00 O ATOM 829 CB SER A 57 2.591 1.548 -18.692 1.00 0.00 C ATOM 830 OG SER A 57 3.574 1.620 -19.710 1.00 0.00 O ATOM 0 H SER A 57 4.146 1.828 -16.772 1.00 0.00 H new ATOM 0 HA SER A 57 2.014 0.212 -17.110 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.611 1.383 -19.139 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.543 2.498 -18.160 1.00 0.00 H new ATOM 0 HG SER A 57 3.341 1.002 -20.434 1.00 0.00 H new ATOM 836 N LEU A 58 2.332 -1.763 -18.589 1.00 0.00 N ATOM 837 CA LEU A 58 2.567 -3.019 -19.293 1.00 0.00 C ATOM 838 C LEU A 58 2.593 -2.800 -20.803 1.00 0.00 C ATOM 839 O LEU A 58 3.496 -3.272 -21.493 1.00 0.00 O ATOM 840 CB LEU A 58 1.486 -4.038 -18.933 1.00 0.00 C ATOM 841 CG LEU A 58 1.297 -4.317 -17.441 1.00 0.00 C ATOM 842 CD1 LEU A 58 0.052 -5.160 -17.209 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.526 -5.009 -16.868 1.00 0.00 C ATOM 0 H LEU A 58 1.390 -1.661 -18.211 1.00 0.00 H new ATOM 0 HA LEU A 58 3.538 -3.404 -18.983 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.537 -3.690 -19.340 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.721 -4.979 -19.431 1.00 0.00 H new ATOM 0 HG LEU A 58 1.167 -3.365 -16.926 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.066 -5.348 -16.142 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.823 -4.628 -17.583 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.152 -6.109 -17.736 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.374 -5.200 -15.806 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.687 -5.954 -17.387 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.399 -4.369 -17.000 1.00 0.00 H new ATOM 855 N ASN A 59 1.597 -2.080 -21.308 1.00 0.00 N ATOM 856 CA ASN A 59 1.506 -1.798 -22.736 1.00 0.00 C ATOM 857 C ASN A 59 2.544 -0.760 -23.152 1.00 0.00 C ATOM 858 O ASN A 59 3.306 -0.262 -22.323 1.00 0.00 O ATOM 859 CB ASN A 59 0.103 -1.302 -23.091 1.00 0.00 C ATOM 860 CG ASN A 59 -0.195 -1.421 -24.574 1.00 0.00 C ATOM 861 OD1 ASN A 59 -0.107 -0.443 -25.316 1.00 0.00 O ATOM 862 ND2 ASN A 59 -0.549 -2.624 -25.011 1.00 0.00 N ATOM 0 H ASN A 59 0.842 -1.681 -20.750 1.00 0.00 H new ATOM 0 HA ASN A 59 1.705 -2.723 -23.277 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.635 -1.874 -22.528 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.001 -0.261 -22.785 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.761 -2.766 -25.999 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.609 -3.406 -24.359 1.00 0.00 H new ATOM 869 N ASP A 60 2.567 -0.438 -24.441 1.00 0.00 N ATOM 870 CA ASP A 60 3.510 0.542 -24.968 1.00 0.00 C ATOM 871 C ASP A 60 3.520 1.803 -24.109 1.00 0.00 C ATOM 872 O ASP A 60 2.752 1.921 -23.154 1.00 0.00 O ATOM 873 CB ASP A 60 3.156 0.897 -26.413 1.00 0.00 C ATOM 874 CG ASP A 60 2.726 -0.314 -27.217 1.00 0.00 C ATOM 875 OD1 ASP A 60 1.621 -0.834 -26.961 1.00 0.00 O ATOM 876 OD2 ASP A 60 3.496 -0.742 -28.103 1.00 0.00 O ATOM 0 H ASP A 60 1.943 -0.841 -25.140 1.00 0.00 H new ATOM 0 HA ASP A 60 4.506 0.100 -24.945 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.354 1.636 -26.417 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.018 1.360 -26.892 1.00 0.00 H new ATOM 881 N ARG A 61 4.394 2.742 -24.455 1.00 0.00 N ATOM 882 CA ARG A 61 4.506 3.993 -23.714 1.00 0.00 C ATOM 883 C ARG A 61 3.750 5.113 -24.423 1.00 0.00 C ATOM 884 O ARG A 61 3.083 4.884 -25.433 1.00 0.00 O ATOM 885 CB ARG A 61 5.975 4.381 -23.546 1.00 0.00 C ATOM 886 CG ARG A 61 6.735 3.488 -22.579 1.00 0.00 C ATOM 887 CD ARG A 61 8.076 4.094 -22.197 1.00 0.00 C ATOM 888 NE ARG A 61 9.052 3.072 -21.825 1.00 0.00 N ATOM 889 CZ ARG A 61 10.107 3.310 -21.054 1.00 0.00 C ATOM 890 NH1 ARG A 61 10.323 4.529 -20.577 1.00 0.00 N ATOM 891 NH2 ARG A 61 10.950 2.329 -20.759 1.00 0.00 N ATOM 0 H ARG A 61 5.035 2.660 -25.244 1.00 0.00 H new ATOM 0 HA ARG A 61 4.062 3.845 -22.729 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.464 4.347 -24.519 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.032 5.412 -23.196 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.137 3.330 -21.681 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.893 2.510 -23.033 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.462 4.677 -23.033 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.938 4.784 -21.364 1.00 0.00 H new ATOM 0 HE ARG A 61 8.916 2.124 -22.177 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.678 5.286 -20.802 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.134 4.709 -19.985 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.788 1.391 -21.124 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.760 2.513 -20.167 1.00 0.00 H new ATOM 905 N PHE A 62 3.859 6.324 -23.888 1.00 0.00 N ATOM 906 CA PHE A 62 3.186 7.480 -24.468 1.00 0.00 C ATOM 907 C PHE A 62 1.670 7.334 -24.367 1.00 0.00 C ATOM 908 O PHE A 62 0.945 7.614 -25.320 1.00 0.00 O ATOM 909 CB PHE A 62 3.596 7.655 -25.932 1.00 0.00 C ATOM 910 CG PHE A 62 3.569 9.083 -26.395 1.00 0.00 C ATOM 911 CD1 PHE A 62 4.156 10.083 -25.637 1.00 0.00 C ATOM 912 CD2 PHE A 62 2.957 9.426 -27.590 1.00 0.00 C ATOM 913 CE1 PHE A 62 4.132 11.398 -26.061 1.00 0.00 C ATOM 914 CE2 PHE A 62 2.929 10.740 -28.020 1.00 0.00 C ATOM 915 CZ PHE A 62 3.519 11.727 -27.254 1.00 0.00 C ATOM 0 H PHE A 62 4.407 6.531 -23.053 1.00 0.00 H new ATOM 0 HA PHE A 62 3.487 8.364 -23.906 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.601 7.256 -26.070 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.929 7.065 -26.561 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.638 9.832 -24.704 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.496 8.658 -28.193 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.592 12.168 -25.460 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.447 10.994 -28.952 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.501 12.754 -27.588 1.00 0.00 H new ATOM 925 N GLU A 63 1.201 6.892 -23.204 1.00 0.00 N ATOM 926 CA GLU A 63 -0.228 6.707 -22.979 1.00 0.00 C ATOM 927 C GLU A 63 -0.913 6.177 -24.236 1.00 0.00 C ATOM 928 O GLU A 63 -2.044 6.552 -24.546 1.00 0.00 O ATOM 929 CB GLU A 63 -0.875 8.025 -22.550 1.00 0.00 C ATOM 930 CG GLU A 63 -2.192 7.847 -21.814 1.00 0.00 C ATOM 931 CD GLU A 63 -2.851 9.168 -21.468 1.00 0.00 C ATOM 932 OE1 GLU A 63 -3.016 10.006 -22.378 1.00 0.00 O ATOM 933 OE2 GLU A 63 -3.201 9.363 -20.285 1.00 0.00 O ATOM 0 H GLU A 63 1.789 6.656 -22.404 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.352 5.974 -22.182 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.181 8.568 -21.909 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.043 8.642 -23.433 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.871 7.257 -22.430 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.019 7.281 -20.899 1.00 0.00 H new ATOM 940 N LYS A 64 -0.219 5.304 -24.957 1.00 0.00 N ATOM 941 CA LYS A 64 -0.758 4.721 -26.180 1.00 0.00 C ATOM 942 C LYS A 64 -1.713 5.690 -26.870 1.00 0.00 C ATOM 943 O LYS A 64 -2.849 5.337 -27.188 1.00 0.00 O ATOM 944 CB LYS A 64 -1.483 3.409 -25.868 1.00 0.00 C ATOM 945 CG LYS A 64 -2.236 3.429 -24.550 1.00 0.00 C ATOM 946 CD LYS A 64 -3.619 4.040 -24.707 1.00 0.00 C ATOM 947 CE LYS A 64 -4.343 4.130 -23.372 1.00 0.00 C ATOM 948 NZ LYS A 64 -4.911 2.817 -22.959 1.00 0.00 N ATOM 0 H LYS A 64 0.719 4.984 -24.716 1.00 0.00 H new ATOM 0 HA LYS A 64 0.075 4.518 -26.853 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.184 3.190 -26.674 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.756 2.597 -25.849 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.328 2.413 -24.167 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.668 3.997 -23.814 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.531 5.035 -25.142 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.207 3.439 -25.401 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.651 4.483 -22.607 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.144 4.866 -23.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.396 2.921 -22.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.590 2.491 -23.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.144 2.121 -22.867 1.00 0.00 H new ATOM 962 N LEU A 65 -1.245 6.912 -27.099 1.00 0.00 N ATOM 963 CA LEU A 65 -2.057 7.932 -27.753 1.00 0.00 C ATOM 964 C LEU A 65 -2.626 7.414 -29.070 1.00 0.00 C ATOM 965 O LEU A 65 -1.954 6.692 -29.808 1.00 0.00 O ATOM 966 CB LEU A 65 -1.225 9.191 -28.004 1.00 0.00 C ATOM 967 CG LEU A 65 -1.300 10.271 -26.925 1.00 0.00 C ATOM 968 CD1 LEU A 65 -2.696 10.872 -26.868 1.00 0.00 C ATOM 969 CD2 LEU A 65 -0.907 9.700 -25.570 1.00 0.00 C ATOM 0 H LEU A 65 -0.308 7.221 -26.841 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.888 8.179 -27.092 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.182 8.896 -28.122 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.542 9.629 -28.951 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.596 11.063 -27.181 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.731 11.639 -26.094 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.940 11.318 -27.832 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.420 10.090 -26.637 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.966 10.483 -24.814 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.586 8.889 -25.306 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.113 9.318 -25.618 1.00 0.00 H new ATOM 981 N LYS A 66 -3.867 7.788 -29.361 1.00 0.00 N ATOM 982 CA LYS A 66 -4.526 7.365 -30.590 1.00 0.00 C ATOM 983 C LYS A 66 -5.135 8.559 -31.320 1.00 0.00 C ATOM 984 O LYS A 66 -6.294 8.907 -31.098 1.00 0.00 O ATOM 985 CB LYS A 66 -5.614 6.334 -30.281 1.00 0.00 C ATOM 986 CG LYS A 66 -6.533 6.742 -29.143 1.00 0.00 C ATOM 987 CD LYS A 66 -7.207 5.536 -28.511 1.00 0.00 C ATOM 988 CE LYS A 66 -8.326 4.998 -29.389 1.00 0.00 C ATOM 989 NZ LYS A 66 -9.622 5.677 -29.114 1.00 0.00 N ATOM 0 H LYS A 66 -4.437 8.384 -28.761 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.776 6.910 -31.237 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.211 6.169 -31.178 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.142 5.383 -30.033 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.960 7.278 -28.386 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.292 7.430 -29.516 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.468 4.753 -28.341 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.609 5.812 -27.536 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.061 5.132 -30.438 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.435 3.926 -29.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.359 5.282 -29.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.888 5.528 -28.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.526 6.696 -29.297 1.00 0.00 H new ATOM 1003 N GLN A 67 -4.345 9.179 -32.191 1.00 0.00 N ATOM 1004 CA GLN A 67 -4.808 10.333 -32.953 1.00 0.00 C ATOM 1005 C GLN A 67 -6.169 10.058 -33.585 1.00 0.00 C ATOM 1006 O GLN A 67 -7.182 10.626 -33.177 1.00 0.00 O ATOM 1007 CB GLN A 67 -3.793 10.695 -34.038 1.00 0.00 C ATOM 1008 CG GLN A 67 -4.069 12.031 -34.709 1.00 0.00 C ATOM 1009 CD GLN A 67 -3.517 13.204 -33.924 1.00 0.00 C ATOM 1010 OE1 GLN A 67 -3.695 13.292 -32.709 1.00 0.00 O ATOM 1011 NE2 GLN A 67 -2.842 14.114 -34.616 1.00 0.00 N ATOM 0 H GLN A 67 -3.383 8.902 -32.386 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.910 11.173 -32.266 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.796 10.718 -33.598 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.789 9.911 -34.796 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.632 12.029 -35.707 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.145 12.156 -34.833 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.718 14.001 -35.622 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.447 14.926 -34.141 1.00 0.00 H new ATOM 1020 N THR A 68 -6.185 9.182 -34.585 1.00 0.00 N ATOM 1021 CA THR A 68 -7.420 8.832 -35.275 1.00 0.00 C ATOM 1022 C THR A 68 -8.244 10.075 -35.591 1.00 0.00 C ATOM 1023 O THR A 68 -9.468 10.006 -35.710 1.00 0.00 O ATOM 1024 CB THR A 68 -8.275 7.861 -34.438 1.00 0.00 C ATOM 1025 OG1 THR A 68 -7.994 8.037 -33.045 1.00 0.00 O ATOM 1026 CG2 THR A 68 -8.004 6.419 -34.838 1.00 0.00 C ATOM 0 H THR A 68 -5.356 8.702 -34.935 1.00 0.00 H new ATOM 0 HA THR A 68 -7.135 8.343 -36.206 1.00 0.00 H new ATOM 0 HB THR A 68 -9.326 8.082 -34.626 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.542 7.417 -32.520 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.619 5.752 -34.234 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.247 6.282 -35.892 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.951 6.188 -34.676 1.00 0.00 H new ATOM 1034 N LEU A 69 -7.567 11.209 -35.726 1.00 0.00 N ATOM 1035 CA LEU A 69 -8.237 12.469 -36.029 1.00 0.00 C ATOM 1036 C LEU A 69 -9.405 12.248 -36.985 1.00 0.00 C ATOM 1037 O LEU A 69 -9.210 12.068 -38.187 1.00 0.00 O ATOM 1038 CB LEU A 69 -7.246 13.463 -36.638 1.00 0.00 C ATOM 1039 CG LEU A 69 -6.513 14.370 -35.649 1.00 0.00 C ATOM 1040 CD1 LEU A 69 -5.132 14.728 -36.177 1.00 0.00 C ATOM 1041 CD2 LEU A 69 -7.325 15.628 -35.377 1.00 0.00 C ATOM 0 H LEU A 69 -6.554 11.283 -35.631 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.626 12.878 -35.097 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.503 12.903 -37.206 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.783 14.092 -37.348 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.392 13.830 -34.710 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.625 15.374 -35.460 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.550 13.818 -36.320 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.230 15.249 -37.129 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.788 16.262 -34.671 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.477 16.171 -36.310 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.292 15.353 -34.955 1.00 0.00 H new ATOM 1053 N GLU A 70 -10.619 12.265 -36.442 1.00 0.00 N ATOM 1054 CA GLU A 70 -11.818 12.067 -37.248 1.00 0.00 C ATOM 1055 C GLU A 70 -12.009 13.219 -38.231 1.00 0.00 C ATOM 1056 O GLU A 70 -11.399 14.279 -38.087 1.00 0.00 O ATOM 1057 CB GLU A 70 -13.049 11.941 -36.348 1.00 0.00 C ATOM 1058 CG GLU A 70 -13.266 10.537 -35.808 1.00 0.00 C ATOM 1059 CD GLU A 70 -12.532 10.295 -34.503 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -12.360 11.261 -33.731 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -12.130 9.139 -34.254 1.00 0.00 O ATOM 0 H GLU A 70 -10.798 12.414 -35.449 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.695 11.144 -37.815 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.949 12.632 -35.511 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.932 12.246 -36.909 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.333 10.370 -35.657 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.932 9.811 -36.549 1.00 0.00 H new ATOM 1068 N MET A 71 -12.859 13.003 -39.229 1.00 0.00 N ATOM 1069 CA MET A 71 -13.131 14.023 -40.235 1.00 0.00 C ATOM 1070 C MET A 71 -14.368 14.834 -39.866 1.00 0.00 C ATOM 1071 O MET A 71 -15.497 14.402 -40.094 1.00 0.00 O ATOM 1072 CB MET A 71 -13.322 13.376 -41.609 1.00 0.00 C ATOM 1073 CG MET A 71 -14.169 12.115 -41.574 1.00 0.00 C ATOM 1074 SD MET A 71 -13.187 10.625 -41.312 1.00 0.00 S ATOM 1075 CE MET A 71 -13.535 9.721 -42.819 1.00 0.00 C ATOM 0 H MET A 71 -13.371 12.131 -39.363 1.00 0.00 H new ATOM 0 HA MET A 71 -12.275 14.697 -40.274 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.787 14.098 -42.280 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.345 13.136 -42.028 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.910 12.202 -40.779 1.00 0.00 H new ATOM 0 HG3 MET A 71 -14.717 12.024 -42.512 1.00 0.00 H new ATOM 0 HE1 MET A 71 -12.998 8.773 -42.807 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.606 9.530 -42.890 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.214 10.309 -43.679 1.00 0.00 H new ATOM 1085 N ASN A 72 -14.148 16.014 -39.293 1.00 0.00 N ATOM 1086 CA ASN A 72 -15.246 16.885 -38.892 1.00 0.00 C ATOM 1087 C ASN A 72 -16.068 17.317 -40.102 1.00 0.00 C ATOM 1088 O ASN A 72 -15.520 17.748 -41.117 1.00 0.00 O ATOM 1089 CB ASN A 72 -14.706 18.117 -38.162 1.00 0.00 C ATOM 1090 CG ASN A 72 -15.795 19.123 -37.842 1.00 0.00 C ATOM 1091 OD1 ASN A 72 -16.615 18.903 -36.950 1.00 0.00 O ATOM 1092 ND2 ASN A 72 -15.807 20.233 -38.570 1.00 0.00 N ATOM 0 H ASN A 72 -13.220 16.388 -39.096 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.893 16.325 -38.217 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.221 17.804 -37.237 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.943 18.595 -38.777 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.516 20.946 -38.400 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.107 20.372 -39.299 1.00 0.00 H new ATOM 1099 N LEU A 73 -17.386 17.199 -39.986 1.00 0.00 N ATOM 1100 CA LEU A 73 -18.286 17.577 -41.071 1.00 0.00 C ATOM 1101 C LEU A 73 -18.949 18.921 -40.784 1.00 0.00 C ATOM 1102 O LEU A 73 -19.741 19.049 -39.850 1.00 0.00 O ATOM 1103 CB LEU A 73 -19.355 16.502 -41.272 1.00 0.00 C ATOM 1104 CG LEU A 73 -18.860 15.155 -41.801 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -19.752 14.027 -41.306 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -18.807 15.167 -43.322 1.00 0.00 C ATOM 0 H LEU A 73 -17.855 16.845 -39.153 1.00 0.00 H new ATOM 0 HA LEU A 73 -17.697 17.669 -41.983 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.856 16.334 -40.319 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.105 16.888 -41.963 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.852 14.986 -41.423 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -19.385 13.076 -41.692 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -19.740 14.005 -40.216 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.772 14.190 -41.654 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.453 14.201 -43.681 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -19.804 15.359 -43.719 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -18.127 15.950 -43.656 1.00 0.00 H new ATOM 1118 N THR A 74 -18.621 19.922 -41.596 1.00 0.00 N ATOM 1119 CA THR A 74 -19.185 21.255 -41.431 1.00 0.00 C ATOM 1120 C THR A 74 -20.444 21.428 -42.273 1.00 0.00 C ATOM 1121 O THR A 74 -20.652 22.472 -42.889 1.00 0.00 O ATOM 1122 CB THR A 74 -18.169 22.347 -41.819 1.00 0.00 C ATOM 1123 OG1 THR A 74 -17.654 22.093 -43.131 1.00 0.00 O ATOM 1124 CG2 THR A 74 -17.023 22.398 -40.820 1.00 0.00 C ATOM 0 H THR A 74 -17.968 19.834 -42.374 1.00 0.00 H new ATOM 0 HA THR A 74 -19.439 21.362 -40.376 1.00 0.00 H new ATOM 0 HB THR A 74 -18.681 23.309 -41.810 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.010 22.792 -43.371 1.00 0.00 H new ATOM 0 HG21 THR A 74 -16.318 23.176 -41.114 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.415 22.620 -39.827 1.00 0.00 H new ATOM 0 HG23 THR A 74 -16.513 21.435 -40.802 1.00 0.00 H new ATOM 1132 N ASN A 75 -21.283 20.397 -42.293 1.00 0.00 N ATOM 1133 CA ASN A 75 -22.523 20.435 -43.059 1.00 0.00 C ATOM 1134 C ASN A 75 -23.729 20.197 -42.155 1.00 0.00 C ATOM 1135 O ASN A 75 -23.625 19.525 -41.128 1.00 0.00 O ATOM 1136 CB ASN A 75 -22.492 19.387 -44.173 1.00 0.00 C ATOM 1137 CG ASN A 75 -23.354 19.776 -45.358 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -23.823 20.911 -45.453 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -23.567 18.834 -46.269 1.00 0.00 N ATOM 0 H ASN A 75 -21.126 19.525 -41.787 1.00 0.00 H new ATOM 0 HA ASN A 75 -22.615 21.426 -43.504 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -21.464 19.246 -44.506 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -22.833 18.430 -43.778 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -24.139 19.037 -47.089 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -23.158 17.907 -46.149 1.00 0.00 H new ATOM 1146 N LEU A 76 -24.872 20.751 -42.544 1.00 0.00 N ATOM 1147 CA LEU A 76 -26.098 20.599 -41.769 1.00 0.00 C ATOM 1148 C LEU A 76 -27.319 20.973 -42.604 1.00 0.00 C ATOM 1149 O LEU A 76 -27.222 21.754 -43.550 1.00 0.00 O ATOM 1150 CB LEU A 76 -26.041 21.466 -40.511 1.00 0.00 C ATOM 1151 CG LEU A 76 -26.163 22.974 -40.729 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -27.621 23.403 -40.695 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -25.358 23.731 -39.682 1.00 0.00 C ATOM 0 H LEU A 76 -24.975 21.309 -43.391 1.00 0.00 H new ATOM 0 HA LEU A 76 -26.187 19.553 -41.477 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -26.840 21.150 -39.840 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -25.099 21.268 -40.000 1.00 0.00 H new ATOM 0 HG LEU A 76 -25.759 23.213 -41.713 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -27.687 24.480 -40.852 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -28.171 22.887 -41.482 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -28.052 23.150 -39.726 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -25.456 24.803 -39.853 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -25.732 23.486 -38.688 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -24.308 23.447 -39.755 1.00 0.00 H new ATOM 1165 N VAL A 77 -28.470 20.412 -42.245 1.00 0.00 N ATOM 1166 CA VAL A 77 -29.711 20.689 -42.958 1.00 0.00 C ATOM 1167 C VAL A 77 -30.871 20.882 -41.988 1.00 0.00 C ATOM 1168 O VAL A 77 -31.059 20.092 -41.063 1.00 0.00 O ATOM 1169 CB VAL A 77 -30.060 19.554 -43.939 1.00 0.00 C ATOM 1170 CG1 VAL A 77 -31.381 19.839 -44.637 1.00 0.00 C ATOM 1171 CG2 VAL A 77 -28.942 19.365 -44.954 1.00 0.00 C ATOM 0 H VAL A 77 -28.568 19.763 -41.464 1.00 0.00 H new ATOM 0 HA VAL A 77 -29.554 21.610 -43.520 1.00 0.00 H new ATOM 0 HB VAL A 77 -30.167 18.628 -43.373 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -31.611 19.026 -45.326 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -32.175 19.921 -43.894 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -31.305 20.774 -45.191 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -29.205 18.559 -45.639 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -28.801 20.288 -45.516 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -28.018 19.112 -44.434 1.00 0.00 H new ATOM 1181 N LYS A 78 -31.647 21.938 -42.205 1.00 0.00 N ATOM 1182 CA LYS A 78 -32.791 22.236 -41.352 1.00 0.00 C ATOM 1183 C LYS A 78 -33.968 22.746 -42.178 1.00 0.00 C ATOM 1184 O LYS A 78 -33.957 23.880 -42.657 1.00 0.00 O ATOM 1185 CB LYS A 78 -32.409 23.274 -40.295 1.00 0.00 C ATOM 1186 CG LYS A 78 -33.345 23.298 -39.099 1.00 0.00 C ATOM 1187 CD LYS A 78 -34.562 24.170 -39.361 1.00 0.00 C ATOM 1188 CE LYS A 78 -35.546 24.116 -38.203 1.00 0.00 C ATOM 1189 NZ LYS A 78 -36.455 22.940 -38.303 1.00 0.00 N ATOM 0 H LYS A 78 -31.504 22.603 -42.965 1.00 0.00 H new ATOM 0 HA LYS A 78 -33.091 21.314 -40.855 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -31.396 23.071 -39.948 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -32.397 24.262 -40.756 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -33.667 22.283 -38.867 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -32.811 23.670 -38.225 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -34.245 25.200 -39.522 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -35.056 23.842 -40.275 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -34.998 24.072 -37.262 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -36.137 25.032 -38.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -37.111 22.938 -37.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -36.997 22.994 -39.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -35.893 22.065 -38.294 1.00 0.00 H new ATOM 1203 N SER A 79 -34.982 21.902 -42.339 1.00 0.00 N ATOM 1204 CA SER A 79 -36.165 22.267 -43.109 1.00 0.00 C ATOM 1205 C SER A 79 -37.370 21.435 -42.680 1.00 0.00 C ATOM 1206 O SER A 79 -37.227 20.418 -42.003 1.00 0.00 O ATOM 1207 CB SER A 79 -35.906 22.076 -44.605 1.00 0.00 C ATOM 1208 OG SER A 79 -34.815 22.870 -45.038 1.00 0.00 O ATOM 0 H SER A 79 -35.008 20.961 -41.947 1.00 0.00 H new ATOM 0 HA SER A 79 -36.383 23.318 -42.917 1.00 0.00 H new ATOM 0 HB2 SER A 79 -35.700 21.026 -44.811 1.00 0.00 H new ATOM 0 HB3 SER A 79 -36.800 22.342 -45.169 1.00 0.00 H new ATOM 0 HG SER A 79 -34.491 23.416 -44.292 1.00 0.00 H new ATOM 1214 N GLY A 80 -38.559 21.876 -43.080 1.00 0.00 N ATOM 1215 CA GLY A 80 -39.772 21.162 -42.729 1.00 0.00 C ATOM 1216 C GLY A 80 -40.885 21.379 -43.735 1.00 0.00 C ATOM 1217 O GLY A 80 -40.953 22.409 -44.405 1.00 0.00 O ATOM 0 H GLY A 80 -38.703 22.715 -43.641 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -39.555 20.096 -42.657 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -40.108 21.486 -41.744 1.00 0.00 H new ATOM 1221 N PRO A 81 -41.782 20.388 -43.854 1.00 0.00 N ATOM 1222 CA PRO A 81 -42.912 20.451 -44.785 1.00 0.00 C ATOM 1223 C PRO A 81 -43.956 21.479 -44.361 1.00 0.00 C ATOM 1224 O PRO A 81 -44.807 21.201 -43.515 1.00 0.00 O ATOM 1225 CB PRO A 81 -43.498 19.039 -44.728 1.00 0.00 C ATOM 1226 CG PRO A 81 -43.101 18.518 -43.389 1.00 0.00 C ATOM 1227 CD PRO A 81 -41.762 19.131 -43.087 1.00 0.00 C ATOM 0 HA PRO A 81 -42.601 20.758 -45.784 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -44.582 19.055 -44.841 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -43.103 18.414 -45.529 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -43.835 18.791 -42.631 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -43.039 17.430 -43.396 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -41.635 19.313 -42.020 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -40.943 18.483 -43.399 1.00 0.00 H new ATOM 1235 N SER A 82 -43.886 22.667 -44.953 1.00 0.00 N ATOM 1236 CA SER A 82 -44.823 23.737 -44.634 1.00 0.00 C ATOM 1237 C SER A 82 -46.144 23.541 -45.373 1.00 0.00 C ATOM 1238 O SER A 82 -47.210 23.499 -44.760 1.00 0.00 O ATOM 1239 CB SER A 82 -44.220 25.096 -44.994 1.00 0.00 C ATOM 1240 OG SER A 82 -43.065 25.363 -44.219 1.00 0.00 O ATOM 0 H SER A 82 -43.190 22.913 -45.657 1.00 0.00 H new ATOM 0 HA SER A 82 -45.019 23.707 -43.562 1.00 0.00 H new ATOM 0 HB2 SER A 82 -43.963 25.114 -46.053 1.00 0.00 H new ATOM 0 HB3 SER A 82 -44.960 25.880 -44.832 1.00 0.00 H new ATOM 0 HG SER A 82 -42.698 26.236 -44.469 1.00 0.00 H new ATOM 1246 N SER A 83 -46.063 23.423 -46.694 1.00 0.00 N ATOM 1247 CA SER A 83 -47.251 23.235 -47.519 1.00 0.00 C ATOM 1248 C SER A 83 -47.077 22.047 -48.460 1.00 0.00 C ATOM 1249 O SER A 83 -46.004 21.841 -49.026 1.00 0.00 O ATOM 1250 CB SER A 83 -47.542 24.502 -48.326 1.00 0.00 C ATOM 1251 OG SER A 83 -46.549 24.715 -49.315 1.00 0.00 O ATOM 0 H SER A 83 -45.187 23.454 -47.216 1.00 0.00 H new ATOM 0 HA SER A 83 -48.094 23.032 -46.858 1.00 0.00 H new ATOM 0 HB2 SER A 83 -48.520 24.419 -48.800 1.00 0.00 H new ATOM 0 HB3 SER A 83 -47.584 25.362 -47.657 1.00 0.00 H new ATOM 0 HG SER A 83 -46.758 25.529 -49.818 1.00 0.00 H new ATOM 1257 N GLY A 84 -48.142 21.268 -48.623 1.00 0.00 N ATOM 1258 CA GLY A 84 -48.087 20.110 -49.496 1.00 0.00 C ATOM 1259 C GLY A 84 -48.935 18.961 -48.988 1.00 0.00 C ATOM 1260 O GLY A 84 -48.893 18.668 -47.794 1.00 0.00 O ATOM 0 H GLY A 84 -49.042 21.418 -48.166 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -48.425 20.394 -50.493 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -47.053 19.780 -49.592 1.00 0.00 H new TER 1264 GLY A 84 HETATM 1265 ZN ZN A 201 -7.079 -0.566 -8.253 1.00 0.00 ZN HETATM 1266 ZN ZN A 401 1.972 1.307 -4.751 1.00 0.00 ZN