USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 CYS SG : rot -126:sc= 0.565 USER MOD Set 1.2: A 90 CYS SG : rot 99:sc= 0.177 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0311 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 9 THR OG1 : rot -52:sc= 0.945 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0177 USER MOD Single : A 28 ASN : amide:sc= -0.312 K(o=-0.31,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.165) USER MOD Single : A 46 MET CE :methyl 164:sc= -0.0246 (180deg=-0.316) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -70:sc= 1.3 USER MOD Single : A 64 HIS : no HD1:sc= -0.402 K(o=-0.4,f=-1.1) USER MOD Single : A 65 SER OG : rot 180:sc= -0.174 USER MOD Single : A 68 GLN : amide:sc= -0.378 K(o=-0.38,f=-1.5!) USER MOD Single : A 73 CYS SG : rot -160:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.8!) USER MOD Single : A 88 TYR OH : rot 0:sc= 1.14 USER MOD Single : A 91 MET CE :methyl -167:sc= -0.509 (180deg=-1.02) USER MOD Single : A 92 CYS SG : rot 56:sc= -0.456 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 70:sc= 0.122 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 168:sc= 0 (180deg=-0.0818) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 58:sc= 0.454 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.122 17.060 -7.112 1.00 0.00 N ATOM 2 CA GLY A 1 36.357 17.678 -6.666 1.00 0.00 C ATOM 3 C GLY A 1 36.282 19.191 -6.665 1.00 0.00 C ATOM 4 O GLY A 1 36.251 19.818 -7.724 1.00 0.00 O ATOM 0 H1 GLY A 1 35.225 16.025 -7.094 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.345 17.341 -6.480 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.909 17.370 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 1 36.592 17.329 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 1 37.174 17.358 -7.313 1.00 0.00 H new ATOM 8 N SER A 2 36.250 19.781 -5.474 1.00 0.00 N ATOM 9 CA SER A 2 36.172 21.231 -5.341 1.00 0.00 C ATOM 10 C SER A 2 37.348 21.766 -4.530 1.00 0.00 C ATOM 11 O SER A 2 37.899 21.067 -3.680 1.00 0.00 O ATOM 12 CB SER A 2 34.854 21.632 -4.675 1.00 0.00 C ATOM 13 OG SER A 2 33.867 21.941 -5.644 1.00 0.00 O ATOM 0 H SER A 2 36.277 19.277 -4.588 1.00 0.00 H new ATOM 0 HA SER A 2 36.214 21.666 -6.339 1.00 0.00 H new ATOM 0 HB2 SER A 2 34.502 20.820 -4.039 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.017 22.495 -4.029 1.00 0.00 H new ATOM 0 HG SER A 2 33.034 22.192 -5.194 1.00 0.00 H new ATOM 19 N SER A 3 37.726 23.011 -4.799 1.00 0.00 N ATOM 20 CA SER A 3 38.840 23.640 -4.098 1.00 0.00 C ATOM 21 C SER A 3 38.518 23.818 -2.617 1.00 0.00 C ATOM 22 O SER A 3 39.339 23.517 -1.752 1.00 0.00 O ATOM 23 CB SER A 3 39.165 24.996 -4.728 1.00 0.00 C ATOM 24 OG SER A 3 38.899 24.989 -6.119 1.00 0.00 O ATOM 0 H SER A 3 37.278 23.604 -5.497 1.00 0.00 H new ATOM 0 HA SER A 3 39.709 22.988 -4.187 1.00 0.00 H new ATOM 0 HB2 SER A 3 38.575 25.775 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 3 40.214 25.238 -4.556 1.00 0.00 H new ATOM 0 HG SER A 3 39.113 25.867 -6.497 1.00 0.00 H new ATOM 30 N GLY A 4 37.316 24.311 -2.334 1.00 0.00 N ATOM 31 CA GLY A 4 36.906 24.521 -0.958 1.00 0.00 C ATOM 32 C GLY A 4 36.202 25.849 -0.759 1.00 0.00 C ATOM 33 O GLY A 4 36.848 26.877 -0.556 1.00 0.00 O ATOM 0 H GLY A 4 36.619 24.569 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 4 36.242 23.712 -0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 4 37.782 24.477 -0.310 1.00 0.00 H new ATOM 37 N SER A 5 34.875 25.829 -0.820 1.00 0.00 N ATOM 38 CA SER A 5 34.083 27.042 -0.651 1.00 0.00 C ATOM 39 C SER A 5 32.605 26.706 -0.480 1.00 0.00 C ATOM 40 O SER A 5 32.215 25.539 -0.505 1.00 0.00 O ATOM 41 CB SER A 5 34.271 27.971 -1.851 1.00 0.00 C ATOM 42 OG SER A 5 33.554 27.499 -2.979 1.00 0.00 O ATOM 0 H SER A 5 34.325 24.986 -0.985 1.00 0.00 H new ATOM 0 HA SER A 5 34.429 27.550 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 5 33.932 28.975 -1.595 1.00 0.00 H new ATOM 0 HB3 SER A 5 35.331 28.045 -2.095 1.00 0.00 H new ATOM 0 HG SER A 5 33.689 28.111 -3.732 1.00 0.00 H new ATOM 48 N SER A 6 31.786 27.739 -0.305 1.00 0.00 N ATOM 49 CA SER A 6 30.351 27.555 -0.125 1.00 0.00 C ATOM 50 C SER A 6 30.063 26.682 1.093 1.00 0.00 C ATOM 51 O SER A 6 30.977 26.276 1.809 1.00 0.00 O ATOM 52 CB SER A 6 29.736 26.924 -1.376 1.00 0.00 C ATOM 53 OG SER A 6 28.393 27.340 -1.549 1.00 0.00 O ATOM 0 H SER A 6 32.092 28.712 -0.284 1.00 0.00 H new ATOM 0 HA SER A 6 29.902 28.535 0.038 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.322 27.201 -2.252 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.776 25.838 -1.296 1.00 0.00 H new ATOM 0 HG SER A 6 28.023 26.925 -2.356 1.00 0.00 H new ATOM 59 N GLY A 7 28.784 26.397 1.320 1.00 0.00 N ATOM 60 CA GLY A 7 28.397 25.575 2.451 1.00 0.00 C ATOM 61 C GLY A 7 26.894 25.411 2.562 1.00 0.00 C ATOM 62 O GLY A 7 26.393 24.294 2.693 1.00 0.00 O ATOM 0 H GLY A 7 28.010 26.721 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.861 24.593 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 7 28.779 26.022 3.369 1.00 0.00 H new ATOM 66 N ARG A 8 26.174 26.526 2.509 1.00 0.00 N ATOM 67 CA ARG A 8 24.719 26.501 2.607 1.00 0.00 C ATOM 68 C ARG A 8 24.079 26.600 1.226 1.00 0.00 C ATOM 69 O ARG A 8 23.590 27.659 0.830 1.00 0.00 O ATOM 70 CB ARG A 8 24.226 27.647 3.493 1.00 0.00 C ATOM 71 CG ARG A 8 22.762 27.529 3.883 1.00 0.00 C ATOM 72 CD ARG A 8 22.188 28.872 4.306 1.00 0.00 C ATOM 73 NE ARG A 8 21.717 28.855 5.688 1.00 0.00 N ATOM 74 CZ ARG A 8 20.584 28.278 6.071 1.00 0.00 C ATOM 75 NH1 ARG A 8 19.811 27.672 5.181 1.00 0.00 N ATOM 76 NH2 ARG A 8 20.223 28.304 7.348 1.00 0.00 N ATOM 0 H ARG A 8 26.574 27.458 2.399 1.00 0.00 H new ATOM 0 HA ARG A 8 24.427 25.552 3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 8 24.833 27.682 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 8 24.379 28.591 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 8 22.191 27.137 3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 8 22.658 26.814 4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 8 22.949 29.644 4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 8 21.363 29.138 3.645 1.00 0.00 H new ATOM 0 HE ARG A 8 22.290 29.311 6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 8 20.086 27.648 4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.941 27.230 5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 8 20.816 28.768 8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.352 27.860 7.641 1.00 0.00 H new ATOM 90 N THR A 9 24.087 25.490 0.494 1.00 0.00 N ATOM 91 CA THR A 9 23.509 25.452 -0.843 1.00 0.00 C ATOM 92 C THR A 9 22.333 24.485 -0.907 1.00 0.00 C ATOM 93 O THR A 9 22.069 23.881 -1.947 1.00 0.00 O ATOM 94 CB THR A 9 24.556 25.039 -1.895 1.00 0.00 C ATOM 95 OG1 THR A 9 23.996 25.142 -3.209 1.00 0.00 O ATOM 96 CG2 THR A 9 25.035 23.616 -1.652 1.00 0.00 C ATOM 0 H THR A 9 24.488 24.605 0.805 1.00 0.00 H new ATOM 0 HA THR A 9 23.159 26.460 -1.065 1.00 0.00 H new ATOM 0 HB THR A 9 25.410 25.712 -1.810 1.00 0.00 H new ATOM 0 HG1 THR A 9 23.145 24.657 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 9 25.774 23.347 -2.407 1.00 0.00 H new ATOM 0 HG22 THR A 9 25.487 23.548 -0.662 1.00 0.00 H new ATOM 0 HG23 THR A 9 24.189 22.932 -1.712 1.00 0.00 H new ATOM 104 N SER A 10 21.628 24.343 0.211 1.00 0.00 N ATOM 105 CA SER A 10 20.481 23.446 0.283 1.00 0.00 C ATOM 106 C SER A 10 19.800 23.542 1.645 1.00 0.00 C ATOM 107 O SER A 10 20.432 23.344 2.682 1.00 0.00 O ATOM 108 CB SER A 10 20.917 22.003 0.019 1.00 0.00 C ATOM 109 OG SER A 10 20.123 21.407 -0.992 1.00 0.00 O ATOM 0 H SER A 10 21.831 24.838 1.079 1.00 0.00 H new ATOM 0 HA SER A 10 19.767 23.748 -0.483 1.00 0.00 H new ATOM 0 HB2 SER A 10 21.965 21.985 -0.280 1.00 0.00 H new ATOM 0 HB3 SER A 10 20.838 21.422 0.938 1.00 0.00 H new ATOM 0 HG SER A 10 20.423 20.486 -1.143 1.00 0.00 H new ATOM 115 N ALA A 11 18.507 23.849 1.633 1.00 0.00 N ATOM 116 CA ALA A 11 17.739 23.970 2.866 1.00 0.00 C ATOM 117 C ALA A 11 16.241 23.964 2.583 1.00 0.00 C ATOM 118 O ALA A 11 15.645 25.009 2.323 1.00 0.00 O ATOM 119 CB ALA A 11 18.133 25.237 3.611 1.00 0.00 C ATOM 0 H ALA A 11 17.969 24.018 0.783 1.00 0.00 H new ATOM 0 HA ALA A 11 17.967 23.108 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.552 25.315 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.195 25.200 3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.935 26.105 2.982 1.00 0.00 H new ATOM 125 N MET A 12 15.639 22.780 2.634 1.00 0.00 N ATOM 126 CA MET A 12 14.209 22.640 2.382 1.00 0.00 C ATOM 127 C MET A 12 13.486 22.133 3.626 1.00 0.00 C ATOM 128 O MET A 12 14.076 21.451 4.466 1.00 0.00 O ATOM 129 CB MET A 12 13.966 21.684 1.213 1.00 0.00 C ATOM 130 CG MET A 12 13.009 22.233 0.167 1.00 0.00 C ATOM 131 SD MET A 12 12.597 21.021 -1.102 1.00 0.00 S ATOM 132 CE MET A 12 10.953 21.561 -1.565 1.00 0.00 C ATOM 0 H MET A 12 16.118 21.905 2.847 1.00 0.00 H new ATOM 0 HA MET A 12 13.813 23.623 2.127 1.00 0.00 H new ATOM 0 HB2 MET A 12 14.920 21.456 0.737 1.00 0.00 H new ATOM 0 HB3 MET A 12 13.570 20.745 1.599 1.00 0.00 H new ATOM 0 HG2 MET A 12 12.094 22.566 0.657 1.00 0.00 H new ATOM 0 HG3 MET A 12 13.455 23.109 -0.304 1.00 0.00 H new ATOM 0 HE1 MET A 12 10.561 20.907 -2.345 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.298 21.520 -0.695 1.00 0.00 H new ATOM 0 HE3 MET A 12 10.998 22.584 -1.938 1.00 0.00 H new ATOM 142 N LEU A 13 12.206 22.471 3.740 1.00 0.00 N ATOM 143 CA LEU A 13 11.402 22.051 4.882 1.00 0.00 C ATOM 144 C LEU A 13 9.998 21.648 4.441 1.00 0.00 C ATOM 145 O LEU A 13 9.555 21.998 3.347 1.00 0.00 O ATOM 146 CB LEU A 13 11.321 23.175 5.916 1.00 0.00 C ATOM 147 CG LEU A 13 12.145 22.977 7.189 1.00 0.00 C ATOM 148 CD1 LEU A 13 12.800 24.283 7.610 1.00 0.00 C ATOM 149 CD2 LEU A 13 11.271 22.431 8.309 1.00 0.00 C ATOM 0 H LEU A 13 11.703 23.035 3.055 1.00 0.00 H new ATOM 0 HA LEU A 13 11.884 21.184 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.641 24.102 5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.277 23.306 6.200 1.00 0.00 H new ATOM 0 HG LEU A 13 12.931 22.251 6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.382 24.122 8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.458 24.633 6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.031 25.031 7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.873 22.296 9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.463 23.133 8.516 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.850 21.472 8.007 1.00 0.00 H new ATOM 161 N THR A 14 9.301 20.913 5.302 1.00 0.00 N ATOM 162 CA THR A 14 7.947 20.464 5.002 1.00 0.00 C ATOM 163 C THR A 14 6.998 21.646 4.847 1.00 0.00 C ATOM 164 O THR A 14 7.309 22.763 5.260 1.00 0.00 O ATOM 165 CB THR A 14 7.409 19.529 6.102 1.00 0.00 C ATOM 166 OG1 THR A 14 6.096 19.072 5.758 1.00 0.00 O ATOM 167 CG2 THR A 14 7.368 20.240 7.445 1.00 0.00 C ATOM 0 H THR A 14 9.652 20.616 6.213 1.00 0.00 H new ATOM 0 HA THR A 14 7.997 19.916 4.061 1.00 0.00 H new ATOM 0 HB THR A 14 8.081 18.675 6.182 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.762 18.477 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.985 19.560 8.205 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.374 20.560 7.718 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.716 21.111 7.376 1.00 0.00 H new ATOM 175 N VAL A 15 5.837 21.393 4.251 1.00 0.00 N ATOM 176 CA VAL A 15 4.840 22.436 4.043 1.00 0.00 C ATOM 177 C VAL A 15 3.552 21.859 3.468 1.00 0.00 C ATOM 178 O VAL A 15 3.583 20.980 2.607 1.00 0.00 O ATOM 179 CB VAL A 15 5.365 23.533 3.097 1.00 0.00 C ATOM 180 CG1 VAL A 15 5.773 22.935 1.760 1.00 0.00 C ATOM 181 CG2 VAL A 15 4.316 24.619 2.908 1.00 0.00 C ATOM 0 H VAL A 15 5.564 20.474 3.904 1.00 0.00 H new ATOM 0 HA VAL A 15 4.634 22.875 5.019 1.00 0.00 H new ATOM 0 HB VAL A 15 6.247 23.987 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.141 23.725 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.560 22.197 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.911 22.454 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.703 25.386 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.414 24.183 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.078 25.067 3.873 1.00 0.00 H new ATOM 191 N ARG A 16 2.419 22.360 3.950 1.00 0.00 N ATOM 192 CA ARG A 16 1.118 21.893 3.485 1.00 0.00 C ATOM 193 C ARG A 16 0.434 22.955 2.629 1.00 0.00 C ATOM 194 O ARG A 16 -0.414 23.705 3.113 1.00 0.00 O ATOM 195 CB ARG A 16 0.228 21.530 4.675 1.00 0.00 C ATOM 196 CG ARG A 16 0.880 20.565 5.651 1.00 0.00 C ATOM 197 CD ARG A 16 0.943 19.155 5.084 1.00 0.00 C ATOM 198 NE ARG A 16 1.306 18.172 6.100 1.00 0.00 N ATOM 199 CZ ARG A 16 1.101 16.866 5.965 1.00 0.00 C ATOM 200 NH1 ARG A 16 0.540 16.390 4.863 1.00 0.00 N ATOM 201 NH2 ARG A 16 1.459 16.034 6.935 1.00 0.00 N ATOM 0 H ARG A 16 2.376 23.089 4.662 1.00 0.00 H new ATOM 0 HA ARG A 16 1.275 21.004 2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.044 22.442 5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.697 21.089 4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.887 20.909 5.886 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.320 20.557 6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.025 18.893 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.670 19.123 4.273 1.00 0.00 H new ATOM 0 HE ARG A 16 1.741 18.506 6.960 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.264 17.027 4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.384 15.387 4.762 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.892 16.397 7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.302 15.032 6.831 1.00 0.00 H new ATOM 215 N ALA A 17 0.809 23.013 1.356 1.00 0.00 N ATOM 216 CA ALA A 17 0.231 23.982 0.433 1.00 0.00 C ATOM 217 C ALA A 17 -0.442 23.284 -0.744 1.00 0.00 C ATOM 218 O ALA A 17 0.178 22.477 -1.438 1.00 0.00 O ATOM 219 CB ALA A 17 1.301 24.943 -0.063 1.00 0.00 C ATOM 0 H ALA A 17 1.511 22.400 0.940 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.530 24.549 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.855 25.661 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.734 25.474 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.082 24.384 -0.578 1.00 0.00 H new ATOM 225 N LEU A 18 -1.714 23.599 -0.964 1.00 0.00 N ATOM 226 CA LEU A 18 -2.472 23.002 -2.058 1.00 0.00 C ATOM 227 C LEU A 18 -2.602 21.494 -1.871 1.00 0.00 C ATOM 228 O LEU A 18 -1.843 20.868 -1.131 1.00 0.00 O ATOM 229 CB LEU A 18 -1.798 23.305 -3.397 1.00 0.00 C ATOM 230 CG LEU A 18 -2.505 24.327 -4.288 1.00 0.00 C ATOM 231 CD1 LEU A 18 -2.061 25.739 -3.937 1.00 0.00 C ATOM 232 CD2 LEU A 18 -2.236 24.031 -5.756 1.00 0.00 C ATOM 0 H LEU A 18 -2.242 24.264 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.471 23.437 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.787 23.662 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.703 22.372 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.578 24.252 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.575 26.453 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.305 25.949 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.984 25.829 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.747 24.768 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.164 24.078 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.604 23.035 -6.000 1.00 0.00 H new ATOM 244 N PRO A 19 -3.585 20.894 -2.558 1.00 0.00 N ATOM 245 CA PRO A 19 -3.835 19.451 -2.487 1.00 0.00 C ATOM 246 C PRO A 19 -2.735 18.638 -3.159 1.00 0.00 C ATOM 247 O PRO A 19 -1.766 19.195 -3.676 1.00 0.00 O ATOM 248 CB PRO A 19 -5.159 19.283 -3.236 1.00 0.00 C ATOM 249 CG PRO A 19 -5.217 20.445 -4.167 1.00 0.00 C ATOM 250 CD PRO A 19 -4.527 21.578 -3.460 1.00 0.00 C ATOM 0 HA PRO A 19 -3.864 19.093 -1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.190 18.338 -3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.005 19.283 -2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.722 20.214 -5.110 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.249 20.704 -4.404 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.009 22.233 -4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.234 22.197 -2.908 1.00 0.00 H new ATOM 258 N ILE A 20 -2.891 17.318 -3.150 1.00 0.00 N ATOM 259 CA ILE A 20 -1.911 16.429 -3.761 1.00 0.00 C ATOM 260 C ILE A 20 -2.593 15.351 -4.597 1.00 0.00 C ATOM 261 O ILE A 20 -3.669 14.866 -4.247 1.00 0.00 O ATOM 262 CB ILE A 20 -1.023 15.755 -2.699 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.381 16.809 -1.795 1.00 0.00 C ATOM 264 CG2 ILE A 20 0.044 14.900 -3.366 1.00 0.00 C ATOM 265 CD1 ILE A 20 0.376 16.222 -0.625 1.00 0.00 C ATOM 0 H ILE A 20 -3.687 16.841 -2.726 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.286 17.045 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.647 15.108 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.300 17.419 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.158 17.474 -1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.664 14.430 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.433 14.129 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.667 15.527 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.804 17.027 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.305 15.636 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.175 15.580 -0.994 1.00 0.00 H new ATOM 277 N LYS A 21 -1.959 14.979 -5.703 1.00 0.00 N ATOM 278 CA LYS A 21 -2.501 13.955 -6.589 1.00 0.00 C ATOM 279 C LYS A 21 -1.447 12.900 -6.910 1.00 0.00 C ATOM 280 O LYS A 21 -0.338 12.933 -6.376 1.00 0.00 O ATOM 281 CB LYS A 21 -3.012 14.591 -7.884 1.00 0.00 C ATOM 282 CG LYS A 21 -1.924 15.263 -8.702 1.00 0.00 C ATOM 283 CD LYS A 21 -2.466 15.800 -10.017 1.00 0.00 C ATOM 284 CE LYS A 21 -1.794 17.108 -10.404 1.00 0.00 C ATOM 285 NZ LYS A 21 -2.422 17.719 -11.608 1.00 0.00 N ATOM 0 H LYS A 21 -1.068 15.371 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.332 13.469 -6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.490 13.823 -8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.778 15.327 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.487 16.079 -8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.124 14.550 -8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.310 15.063 -10.804 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.542 15.953 -9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.852 17.807 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.736 16.930 -10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.936 18.609 -11.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.344 17.063 -12.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.425 17.913 -11.416 1.00 0.00 H new ATOM 299 N PHE A 22 -1.801 11.965 -7.786 1.00 0.00 N ATOM 300 CA PHE A 22 -0.885 10.900 -8.179 1.00 0.00 C ATOM 301 C PHE A 22 -0.337 11.143 -9.582 1.00 0.00 C ATOM 302 O PHE A 22 -1.094 11.378 -10.525 1.00 0.00 O ATOM 303 CB PHE A 22 -1.593 9.544 -8.123 1.00 0.00 C ATOM 304 CG PHE A 22 -1.514 8.882 -6.777 1.00 0.00 C ATOM 305 CD1 PHE A 22 -2.425 9.197 -5.781 1.00 0.00 C ATOM 306 CD2 PHE A 22 -0.531 7.944 -6.508 1.00 0.00 C ATOM 307 CE1 PHE A 22 -2.355 8.590 -4.542 1.00 0.00 C ATOM 308 CE2 PHE A 22 -0.456 7.333 -5.270 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.370 7.655 -4.287 1.00 0.00 C ATOM 0 H PHE A 22 -2.715 11.923 -8.237 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.050 10.896 -7.478 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.641 9.679 -8.392 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.155 8.883 -8.871 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.198 9.925 -5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.185 7.687 -7.274 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.069 8.846 -3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.317 6.605 -5.072 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.315 7.177 -3.320 1.00 0.00 H new ATOM 319 N THR A 23 0.985 11.086 -9.713 1.00 0.00 N ATOM 320 CA THR A 23 1.635 11.301 -10.999 1.00 0.00 C ATOM 321 C THR A 23 1.954 9.977 -11.682 1.00 0.00 C ATOM 322 O THR A 23 1.849 9.857 -12.902 1.00 0.00 O ATOM 323 CB THR A 23 2.936 12.111 -10.842 1.00 0.00 C ATOM 324 OG1 THR A 23 3.945 11.303 -10.226 1.00 0.00 O ATOM 325 CG2 THR A 23 2.698 13.359 -10.005 1.00 0.00 C ATOM 0 H THR A 23 1.626 10.893 -8.944 1.00 0.00 H new ATOM 0 HA THR A 23 0.936 11.866 -11.616 1.00 0.00 H new ATOM 0 HB THR A 23 3.270 12.416 -11.834 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.769 11.825 -10.131 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.630 13.915 -9.908 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.951 13.986 -10.491 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.342 13.071 -9.016 1.00 0.00 H new ATOM 333 N GLU A 24 2.344 8.985 -10.888 1.00 0.00 N ATOM 334 CA GLU A 24 2.679 7.668 -11.418 1.00 0.00 C ATOM 335 C GLU A 24 2.045 6.565 -10.576 1.00 0.00 C ATOM 336 O GLU A 24 2.735 5.846 -9.854 1.00 0.00 O ATOM 337 CB GLU A 24 4.197 7.483 -11.463 1.00 0.00 C ATOM 338 CG GLU A 24 4.839 8.020 -12.731 1.00 0.00 C ATOM 339 CD GLU A 24 5.999 7.166 -13.204 1.00 0.00 C ATOM 340 OE1 GLU A 24 6.887 6.863 -12.380 1.00 0.00 O ATOM 341 OE2 GLU A 24 6.019 6.801 -14.398 1.00 0.00 O ATOM 0 H GLU A 24 2.436 9.068 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 24 2.282 7.601 -12.431 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.641 7.982 -10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.428 6.422 -11.370 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.088 8.075 -13.519 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.190 9.037 -12.554 1.00 0.00 H new ATOM 348 N GLY A 25 0.725 6.438 -10.674 1.00 0.00 N ATOM 349 CA GLY A 25 0.019 5.422 -9.916 1.00 0.00 C ATOM 350 C GLY A 25 0.586 4.034 -10.140 1.00 0.00 C ATOM 351 O GLY A 25 1.405 3.826 -11.036 1.00 0.00 O ATOM 0 H GLY A 25 0.132 7.021 -11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.069 5.665 -8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.034 5.430 -10.196 1.00 0.00 H new ATOM 355 N LEU A 26 0.151 3.080 -9.324 1.00 0.00 N ATOM 356 CA LEU A 26 0.621 1.704 -9.435 1.00 0.00 C ATOM 357 C LEU A 26 0.368 1.154 -10.835 1.00 0.00 C ATOM 358 O LEU A 26 -0.205 1.835 -11.686 1.00 0.00 O ATOM 359 CB LEU A 26 -0.071 0.821 -8.395 1.00 0.00 C ATOM 360 CG LEU A 26 0.121 1.229 -6.934 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.056 0.765 -6.091 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.425 0.665 -6.390 1.00 0.00 C ATOM 0 H LEU A 26 -0.527 3.235 -8.578 1.00 0.00 H new ATOM 0 HA LEU A 26 1.695 1.697 -9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.139 0.809 -8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.290 -0.200 -8.517 1.00 0.00 H new ATOM 0 HG LEU A 26 0.170 2.317 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.902 1.064 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.974 1.218 -6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.138 -0.320 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.545 0.965 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.406 -0.423 -6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.260 1.048 -6.977 1.00 0.00 H new ATOM 374 N ARG A 27 0.796 -0.083 -11.066 1.00 0.00 N ATOM 375 CA ARG A 27 0.615 -0.725 -12.362 1.00 0.00 C ATOM 376 C ARG A 27 0.554 -2.243 -12.214 1.00 0.00 C ATOM 377 O ARG A 27 1.101 -2.806 -11.266 1.00 0.00 O ATOM 378 CB ARG A 27 1.752 -0.340 -13.310 1.00 0.00 C ATOM 379 CG ARG A 27 3.136 -0.606 -12.740 1.00 0.00 C ATOM 380 CD ARG A 27 3.890 0.689 -12.481 1.00 0.00 C ATOM 381 NE ARG A 27 5.337 0.500 -12.536 1.00 0.00 N ATOM 382 CZ ARG A 27 6.023 0.402 -13.669 1.00 0.00 C ATOM 383 NH1 ARG A 27 5.396 0.474 -14.835 1.00 0.00 N ATOM 384 NH2 ARG A 27 7.338 0.231 -13.637 1.00 0.00 N ATOM 0 H ARG A 27 1.271 -0.661 -10.372 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.330 -0.380 -12.780 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.640 -0.893 -14.242 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.667 0.719 -13.555 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.046 -1.168 -11.810 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.703 -1.226 -13.434 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.594 1.435 -13.219 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.612 1.081 -11.502 1.00 0.00 H new ATOM 0 HE ARG A 27 5.849 0.440 -11.656 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.385 0.605 -14.863 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.925 0.399 -15.704 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.823 0.175 -12.742 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.864 0.156 -14.508 1.00 0.00 H new ATOM 398 N ASN A 28 -0.116 -2.898 -13.156 1.00 0.00 N ATOM 399 CA ASN A 28 -0.249 -4.350 -13.129 1.00 0.00 C ATOM 400 C ASN A 28 1.120 -5.022 -13.148 1.00 0.00 C ATOM 401 O ASN A 28 1.815 -5.009 -14.163 1.00 0.00 O ATOM 402 CB ASN A 28 -1.081 -4.828 -14.321 1.00 0.00 C ATOM 403 CG ASN A 28 -2.327 -3.989 -14.531 1.00 0.00 C ATOM 404 OD1 ASN A 28 -2.844 -3.381 -13.594 1.00 0.00 O ATOM 405 ND2 ASN A 28 -2.815 -3.953 -15.765 1.00 0.00 N ATOM 0 H ASN A 28 -0.575 -2.447 -13.947 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.757 -4.627 -12.205 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.470 -4.797 -15.223 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.369 -5.868 -14.166 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.652 -3.405 -15.967 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.353 -4.473 -16.511 1.00 0.00 H new ATOM 412 N GLU A 29 1.500 -5.610 -12.017 1.00 0.00 N ATOM 413 CA GLU A 29 2.786 -6.288 -11.904 1.00 0.00 C ATOM 414 C GLU A 29 2.596 -7.793 -11.747 1.00 0.00 C ATOM 415 O GLU A 29 1.607 -8.247 -11.172 1.00 0.00 O ATOM 416 CB GLU A 29 3.576 -5.735 -10.716 1.00 0.00 C ATOM 417 CG GLU A 29 4.931 -5.163 -11.099 1.00 0.00 C ATOM 418 CD GLU A 29 5.738 -6.107 -11.968 1.00 0.00 C ATOM 419 OE1 GLU A 29 6.450 -6.967 -11.409 1.00 0.00 O ATOM 420 OE2 GLU A 29 5.657 -5.985 -13.209 1.00 0.00 O ATOM 0 H GLU A 29 0.936 -5.630 -11.167 1.00 0.00 H new ATOM 0 HA GLU A 29 3.346 -6.105 -12.821 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.987 -4.957 -10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.720 -6.530 -9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.787 -4.221 -11.629 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.495 -4.937 -10.194 1.00 0.00 H new ATOM 427 N GLU A 30 3.551 -8.562 -12.262 1.00 0.00 N ATOM 428 CA GLU A 30 3.487 -10.016 -12.179 1.00 0.00 C ATOM 429 C GLU A 30 4.791 -10.587 -11.630 1.00 0.00 C ATOM 430 O GLU A 30 5.878 -10.227 -12.081 1.00 0.00 O ATOM 431 CB GLU A 30 3.196 -10.615 -13.557 1.00 0.00 C ATOM 432 CG GLU A 30 3.207 -12.134 -13.575 1.00 0.00 C ATOM 433 CD GLU A 30 4.256 -12.699 -14.512 1.00 0.00 C ATOM 434 OE1 GLU A 30 3.945 -12.892 -15.706 1.00 0.00 O ATOM 435 OE2 GLU A 30 5.390 -12.949 -14.051 1.00 0.00 O ATOM 0 H GLU A 30 4.377 -8.202 -12.740 1.00 0.00 H new ATOM 0 HA GLU A 30 2.679 -10.280 -11.497 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.223 -10.263 -13.899 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.936 -10.246 -14.268 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.389 -12.504 -12.566 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.224 -12.497 -13.875 1.00 0.00 H new ATOM 442 N ALA A 31 4.674 -11.480 -10.653 1.00 0.00 N ATOM 443 CA ALA A 31 5.842 -12.103 -10.042 1.00 0.00 C ATOM 444 C ALA A 31 5.709 -13.622 -10.026 1.00 0.00 C ATOM 445 O ALA A 31 4.648 -14.166 -10.333 1.00 0.00 O ATOM 446 CB ALA A 31 6.045 -11.573 -8.630 1.00 0.00 C ATOM 0 H ALA A 31 3.782 -11.789 -10.267 1.00 0.00 H new ATOM 0 HA ALA A 31 6.715 -11.848 -10.643 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.920 -12.047 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.195 -10.494 -8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.165 -11.798 -8.027 1.00 0.00 H new ATOM 452 N THR A 32 6.793 -14.302 -9.665 1.00 0.00 N ATOM 453 CA THR A 32 6.798 -15.759 -9.610 1.00 0.00 C ATOM 454 C THR A 32 6.599 -16.256 -8.183 1.00 0.00 C ATOM 455 O THR A 32 7.042 -15.620 -7.228 1.00 0.00 O ATOM 456 CB THR A 32 8.114 -16.337 -10.164 1.00 0.00 C ATOM 457 OG1 THR A 32 8.376 -15.799 -11.465 1.00 0.00 O ATOM 458 CG2 THR A 32 8.047 -17.855 -10.242 1.00 0.00 C ATOM 0 H THR A 32 7.679 -13.867 -9.406 1.00 0.00 H new ATOM 0 HA THR A 32 5.969 -16.102 -10.230 1.00 0.00 H new ATOM 0 HB THR A 32 8.921 -16.058 -9.487 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.215 -16.170 -11.810 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.987 -18.241 -10.636 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.876 -18.263 -9.246 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.230 -18.150 -10.900 1.00 0.00 H new ATOM 466 N GLU A 33 5.930 -17.397 -8.047 1.00 0.00 N ATOM 467 CA GLU A 33 5.673 -17.978 -6.734 1.00 0.00 C ATOM 468 C GLU A 33 6.980 -18.273 -6.004 1.00 0.00 C ATOM 469 O GLU A 33 7.914 -18.828 -6.581 1.00 0.00 O ATOM 470 CB GLU A 33 4.852 -19.262 -6.873 1.00 0.00 C ATOM 471 CG GLU A 33 3.511 -19.207 -6.161 1.00 0.00 C ATOM 472 CD GLU A 33 2.916 -20.583 -5.930 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.677 -21.506 -5.574 1.00 0.00 O ATOM 474 OE2 GLU A 33 1.689 -20.735 -6.104 1.00 0.00 O ATOM 0 H GLU A 33 5.557 -17.936 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 33 5.106 -17.254 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.684 -19.463 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.430 -20.097 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.633 -18.703 -5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.816 -18.609 -6.750 1.00 0.00 H new ATOM 481 N GLY A 34 7.038 -17.897 -4.730 1.00 0.00 N ATOM 482 CA GLY A 34 8.234 -18.129 -3.942 1.00 0.00 C ATOM 483 C GLY A 34 9.291 -17.066 -4.167 1.00 0.00 C ATOM 484 O GLY A 34 10.473 -17.293 -3.911 1.00 0.00 O ATOM 0 H GLY A 34 6.278 -17.436 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.969 -18.156 -2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.647 -19.106 -4.192 1.00 0.00 H new ATOM 488 N ALA A 35 8.866 -15.903 -4.650 1.00 0.00 N ATOM 489 CA ALA A 35 9.785 -14.802 -4.909 1.00 0.00 C ATOM 490 C ALA A 35 9.343 -13.535 -4.185 1.00 0.00 C ATOM 491 O ALA A 35 8.416 -13.562 -3.374 1.00 0.00 O ATOM 492 CB ALA A 35 9.893 -14.546 -6.405 1.00 0.00 C ATOM 0 H ALA A 35 7.891 -15.699 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 35 10.766 -15.084 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.583 -13.721 -6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.263 -15.443 -6.902 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.911 -14.290 -6.802 1.00 0.00 H new ATOM 498 N THR A 36 10.012 -12.425 -4.481 1.00 0.00 N ATOM 499 CA THR A 36 9.689 -11.149 -3.856 1.00 0.00 C ATOM 500 C THR A 36 9.138 -10.160 -4.878 1.00 0.00 C ATOM 501 O THR A 36 9.694 -10.001 -5.964 1.00 0.00 O ATOM 502 CB THR A 36 10.923 -10.530 -3.173 1.00 0.00 C ATOM 503 OG1 THR A 36 11.540 -11.492 -2.311 1.00 0.00 O ATOM 504 CG2 THR A 36 10.535 -9.297 -2.369 1.00 0.00 C ATOM 0 H THR A 36 10.781 -12.384 -5.150 1.00 0.00 H new ATOM 0 HA THR A 36 8.928 -11.350 -3.102 1.00 0.00 H new ATOM 0 HB THR A 36 11.629 -10.232 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.325 -11.091 -1.882 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.423 -8.877 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.092 -8.554 -3.033 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.812 -9.575 -1.602 1.00 0.00 H new ATOM 512 N ALA A 37 8.042 -9.498 -4.522 1.00 0.00 N ATOM 513 CA ALA A 37 7.418 -8.522 -5.407 1.00 0.00 C ATOM 514 C ALA A 37 7.142 -7.214 -4.675 1.00 0.00 C ATOM 515 O ALA A 37 6.469 -7.198 -3.644 1.00 0.00 O ATOM 516 CB ALA A 37 6.130 -9.086 -5.989 1.00 0.00 C ATOM 0 H ALA A 37 7.568 -9.620 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 37 8.111 -8.312 -6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.674 -8.347 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.352 -9.990 -6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.440 -9.326 -5.180 1.00 0.00 H new ATOM 522 N VAL A 38 7.667 -6.117 -5.213 1.00 0.00 N ATOM 523 CA VAL A 38 7.476 -4.803 -4.610 1.00 0.00 C ATOM 524 C VAL A 38 6.811 -3.841 -5.588 1.00 0.00 C ATOM 525 O VAL A 38 7.314 -3.611 -6.689 1.00 0.00 O ATOM 526 CB VAL A 38 8.814 -4.200 -4.144 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.805 -4.142 -5.297 1.00 0.00 C ATOM 528 CG2 VAL A 38 8.596 -2.818 -3.548 1.00 0.00 C ATOM 0 H VAL A 38 8.228 -6.112 -6.065 1.00 0.00 H new ATOM 0 HA VAL A 38 6.828 -4.943 -3.745 1.00 0.00 H new ATOM 0 HB VAL A 38 9.232 -4.843 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.744 -3.713 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.984 -5.149 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.398 -3.522 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.552 -2.407 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.155 -2.163 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.924 -2.892 -2.693 1.00 0.00 H new ATOM 538 N LEU A 39 5.677 -3.282 -5.181 1.00 0.00 N ATOM 539 CA LEU A 39 4.942 -2.343 -6.021 1.00 0.00 C ATOM 540 C LEU A 39 5.536 -0.942 -5.921 1.00 0.00 C ATOM 541 O LEU A 39 5.993 -0.525 -4.857 1.00 0.00 O ATOM 542 CB LEU A 39 3.467 -2.314 -5.617 1.00 0.00 C ATOM 543 CG LEU A 39 2.594 -3.436 -6.179 1.00 0.00 C ATOM 544 CD1 LEU A 39 1.535 -3.847 -5.167 1.00 0.00 C ATOM 545 CD2 LEU A 39 1.946 -3.004 -7.486 1.00 0.00 C ATOM 0 H LEU A 39 5.246 -3.463 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 39 5.023 -2.679 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.409 -2.346 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.044 -1.360 -5.931 1.00 0.00 H new ATOM 0 HG LEU A 39 3.230 -4.299 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.923 -4.647 -5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.019 -4.199 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.903 -2.990 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.328 -3.815 -7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.324 -2.126 -7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.721 -2.761 -8.213 1.00 0.00 H new ATOM 557 N ARG A 40 5.525 -0.219 -7.036 1.00 0.00 N ATOM 558 CA ARG A 40 6.062 1.135 -7.074 1.00 0.00 C ATOM 559 C ARG A 40 4.961 2.149 -7.374 1.00 0.00 C ATOM 560 O ARG A 40 4.100 1.911 -8.222 1.00 0.00 O ATOM 561 CB ARG A 40 7.167 1.240 -8.128 1.00 0.00 C ATOM 562 CG ARG A 40 8.182 0.111 -8.059 1.00 0.00 C ATOM 563 CD ARG A 40 8.106 -0.782 -9.288 1.00 0.00 C ATOM 564 NE ARG A 40 9.301 -1.608 -9.439 1.00 0.00 N ATOM 565 CZ ARG A 40 9.652 -2.192 -10.580 1.00 0.00 C ATOM 566 NH1 ARG A 40 8.903 -2.041 -11.663 1.00 0.00 N ATOM 567 NH2 ARG A 40 10.754 -2.928 -10.638 1.00 0.00 N ATOM 0 H ARG A 40 5.150 -0.549 -7.925 1.00 0.00 H new ATOM 0 HA ARG A 40 6.482 1.359 -6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.713 1.249 -9.119 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.685 2.191 -8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.186 0.527 -7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.005 -0.485 -7.163 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.228 -1.424 -9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.977 -0.165 -10.177 1.00 0.00 H new ATOM 0 HE ARG A 40 9.899 -1.744 -8.624 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.055 -1.476 -11.622 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.175 -2.490 -12.538 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.333 -3.046 -9.806 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.023 -3.376 -11.514 1.00 0.00 H new ATOM 581 N CYS A 41 4.996 3.277 -6.674 1.00 0.00 N ATOM 582 CA CYS A 41 4.001 4.326 -6.864 1.00 0.00 C ATOM 583 C CYS A 41 4.562 5.687 -6.466 1.00 0.00 C ATOM 584 O CYS A 41 5.169 5.832 -5.405 1.00 0.00 O ATOM 585 CB CYS A 41 2.745 4.020 -6.047 1.00 0.00 C ATOM 586 SG CYS A 41 3.073 3.588 -4.322 1.00 0.00 S ATOM 0 H CYS A 41 5.703 3.489 -5.970 1.00 0.00 H new ATOM 0 HA CYS A 41 3.739 4.357 -7.922 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.087 4.888 -6.074 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.208 3.198 -6.520 1.00 0.00 H new ATOM 0 HG CYS A 41 2.508 2.450 -4.045 1.00 0.00 H new ATOM 592 N GLU A 42 4.357 6.680 -7.324 1.00 0.00 N ATOM 593 CA GLU A 42 4.845 8.029 -7.062 1.00 0.00 C ATOM 594 C GLU A 42 3.686 8.985 -6.796 1.00 0.00 C ATOM 595 O GLU A 42 2.533 8.684 -7.109 1.00 0.00 O ATOM 596 CB GLU A 42 5.675 8.533 -8.245 1.00 0.00 C ATOM 597 CG GLU A 42 6.831 9.432 -7.838 1.00 0.00 C ATOM 598 CD GLU A 42 7.753 9.758 -8.997 1.00 0.00 C ATOM 599 OE1 GLU A 42 8.292 8.814 -9.611 1.00 0.00 O ATOM 600 OE2 GLU A 42 7.935 10.958 -9.290 1.00 0.00 O ATOM 0 H GLU A 42 3.856 6.576 -8.207 1.00 0.00 H new ATOM 0 HA GLU A 42 5.475 7.994 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.067 7.677 -8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.024 9.079 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.436 10.359 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.404 8.946 -7.049 1.00 0.00 H new ATOM 607 N LEU A 43 4.000 10.138 -6.215 1.00 0.00 N ATOM 608 CA LEU A 43 2.986 11.140 -5.905 1.00 0.00 C ATOM 609 C LEU A 43 3.375 12.502 -6.471 1.00 0.00 C ATOM 610 O LEU A 43 4.461 12.668 -7.026 1.00 0.00 O ATOM 611 CB LEU A 43 2.786 11.241 -4.392 1.00 0.00 C ATOM 612 CG LEU A 43 1.983 10.113 -3.744 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.443 9.883 -2.313 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.494 10.427 -3.784 1.00 0.00 C ATOM 0 H LEU A 43 4.949 10.402 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 43 2.050 10.829 -6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.767 11.280 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.288 12.186 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 43 2.157 9.198 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.860 9.077 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.499 9.612 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.301 10.795 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.062 9.613 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.303 11.353 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.174 10.539 -4.820 1.00 0.00 H new ATOM 626 N SER A 44 2.482 13.475 -6.323 1.00 0.00 N ATOM 627 CA SER A 44 2.731 14.823 -6.820 1.00 0.00 C ATOM 628 C SER A 44 3.566 15.624 -5.825 1.00 0.00 C ATOM 629 O SER A 44 4.316 16.523 -6.206 1.00 0.00 O ATOM 630 CB SER A 44 1.408 15.543 -7.089 1.00 0.00 C ATOM 631 OG SER A 44 1.542 16.478 -8.146 1.00 0.00 O ATOM 0 H SER A 44 1.580 13.355 -5.863 1.00 0.00 H new ATOM 0 HA SER A 44 3.289 14.742 -7.753 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.638 14.814 -7.340 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.079 16.056 -6.185 1.00 0.00 H new ATOM 0 HG SER A 44 0.683 16.924 -8.299 1.00 0.00 H new ATOM 637 N LYS A 45 3.429 15.291 -4.546 1.00 0.00 N ATOM 638 CA LYS A 45 4.170 15.976 -3.493 1.00 0.00 C ATOM 639 C LYS A 45 4.306 15.090 -2.259 1.00 0.00 C ATOM 640 O LYS A 45 3.462 14.232 -2.003 1.00 0.00 O ATOM 641 CB LYS A 45 3.472 17.285 -3.119 1.00 0.00 C ATOM 642 CG LYS A 45 4.404 18.485 -3.094 1.00 0.00 C ATOM 643 CD LYS A 45 4.325 19.225 -1.769 1.00 0.00 C ATOM 644 CE LYS A 45 3.293 20.341 -1.814 1.00 0.00 C ATOM 645 NZ LYS A 45 3.837 21.621 -1.282 1.00 0.00 N ATOM 0 H LYS A 45 2.811 14.551 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 45 5.168 16.198 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.668 17.475 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.010 17.174 -2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.428 18.155 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.146 19.164 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.070 18.524 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.302 19.641 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.960 20.487 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.417 20.050 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.070 22.168 -0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.569 21.418 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.252 22.172 -2.060 1.00 0.00 H new ATOM 659 N MET A 46 5.374 15.304 -1.497 1.00 0.00 N ATOM 660 CA MET A 46 5.618 14.527 -0.288 1.00 0.00 C ATOM 661 C MET A 46 4.394 14.539 0.623 1.00 0.00 C ATOM 662 O MET A 46 3.852 15.598 0.936 1.00 0.00 O ATOM 663 CB MET A 46 6.832 15.078 0.463 1.00 0.00 C ATOM 664 CG MET A 46 7.152 14.320 1.741 1.00 0.00 C ATOM 665 SD MET A 46 8.567 15.008 2.621 1.00 0.00 S ATOM 666 CE MET A 46 7.884 16.558 3.203 1.00 0.00 C ATOM 0 H MET A 46 6.084 16.009 -1.696 1.00 0.00 H new ATOM 0 HA MET A 46 5.819 13.497 -0.583 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.700 15.047 -0.195 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.654 16.125 0.707 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.280 14.334 2.395 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.352 13.276 1.499 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.521 16.964 3.988 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.831 17.266 2.376 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.883 16.388 3.600 1.00 0.00 H new ATOM 676 N ALA A 47 3.964 13.354 1.045 1.00 0.00 N ATOM 677 CA ALA A 47 2.806 13.229 1.921 1.00 0.00 C ATOM 678 C ALA A 47 2.590 11.780 2.343 1.00 0.00 C ATOM 679 O ALA A 47 3.082 10.844 1.711 1.00 0.00 O ATOM 680 CB ALA A 47 1.562 13.771 1.231 1.00 0.00 C ATOM 0 H ALA A 47 4.401 12.467 0.794 1.00 0.00 H new ATOM 0 HA ALA A 47 2.996 13.817 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.704 13.672 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.711 14.823 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.379 13.208 0.316 1.00 0.00 H new ATOM 686 N PRO A 48 1.839 11.587 3.437 1.00 0.00 N ATOM 687 CA PRO A 48 1.542 10.254 3.968 1.00 0.00 C ATOM 688 C PRO A 48 0.600 9.466 3.063 1.00 0.00 C ATOM 689 O PRO A 48 -0.320 10.027 2.469 1.00 0.00 O ATOM 690 CB PRO A 48 0.870 10.548 5.312 1.00 0.00 C ATOM 691 CG PRO A 48 0.288 11.911 5.153 1.00 0.00 C ATOM 692 CD PRO A 48 1.221 12.656 4.240 1.00 0.00 C ATOM 0 HA PRO A 48 2.439 9.639 4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.099 9.812 5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.590 10.518 6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.715 11.860 4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.201 12.413 6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.686 13.370 3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.967 13.220 4.801 1.00 0.00 H new ATOM 700 N VAL A 49 0.836 8.162 2.963 1.00 0.00 N ATOM 701 CA VAL A 49 0.008 7.296 2.132 1.00 0.00 C ATOM 702 C VAL A 49 -0.483 6.086 2.918 1.00 0.00 C ATOM 703 O VAL A 49 0.133 5.682 3.903 1.00 0.00 O ATOM 704 CB VAL A 49 0.776 6.810 0.889 1.00 0.00 C ATOM 705 CG1 VAL A 49 1.277 7.993 0.073 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.930 5.906 1.295 1.00 0.00 C ATOM 0 H VAL A 49 1.594 7.682 3.447 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.849 7.889 1.812 1.00 0.00 H new ATOM 0 HB VAL A 49 0.093 6.232 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.817 7.629 -0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.429 8.597 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.944 8.601 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.461 5.572 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.614 6.457 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.542 5.040 1.832 1.00 0.00 H new ATOM 716 N GLU A 50 -1.597 5.511 2.473 1.00 0.00 N ATOM 717 CA GLU A 50 -2.171 4.346 3.136 1.00 0.00 C ATOM 718 C GLU A 50 -2.429 3.223 2.136 1.00 0.00 C ATOM 719 O GLU A 50 -3.107 3.420 1.127 1.00 0.00 O ATOM 720 CB GLU A 50 -3.474 4.724 3.843 1.00 0.00 C ATOM 721 CG GLU A 50 -3.270 5.593 5.073 1.00 0.00 C ATOM 722 CD GLU A 50 -3.315 7.075 4.754 1.00 0.00 C ATOM 723 OE1 GLU A 50 -3.291 7.426 3.556 1.00 0.00 O ATOM 724 OE2 GLU A 50 -3.375 7.884 5.704 1.00 0.00 O ATOM 0 H GLU A 50 -2.119 5.833 1.658 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.454 3.992 3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.119 5.250 3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.997 3.813 4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.039 5.360 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.309 5.352 5.528 1.00 0.00 H new ATOM 731 N TRP A 51 -1.884 2.047 2.422 1.00 0.00 N ATOM 732 CA TRP A 51 -2.055 0.892 1.548 1.00 0.00 C ATOM 733 C TRP A 51 -3.307 0.106 1.921 1.00 0.00 C ATOM 734 O TRP A 51 -3.531 -0.202 3.092 1.00 0.00 O ATOM 735 CB TRP A 51 -0.826 -0.016 1.622 1.00 0.00 C ATOM 736 CG TRP A 51 0.413 0.614 1.064 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.302 1.407 1.732 1.00 0.00 C ATOM 738 CD2 TRP A 51 0.900 0.505 -0.278 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.312 1.798 0.886 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.089 1.257 -0.352 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.449 -0.157 -1.423 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.829 1.365 -1.527 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.185 -0.048 -2.588 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.364 0.707 -2.633 1.00 0.00 C ATOM 0 H TRP A 51 -1.320 1.867 3.252 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.169 1.255 0.527 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.648 -0.291 2.662 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.032 -0.939 1.079 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.223 1.686 2.772 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.100 2.394 1.139 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.458 -0.743 -1.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.738 1.947 -1.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.845 -0.554 -3.479 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.917 0.771 -3.559 1.00 0.00 H new ATOM 755 N TRP A 52 -4.119 -0.215 0.921 1.00 0.00 N ATOM 756 CA TRP A 52 -5.349 -0.965 1.146 1.00 0.00 C ATOM 757 C TRP A 52 -5.474 -2.116 0.153 1.00 0.00 C ATOM 758 O TRP A 52 -5.225 -1.949 -1.041 1.00 0.00 O ATOM 759 CB TRP A 52 -6.563 -0.042 1.030 1.00 0.00 C ATOM 760 CG TRP A 52 -6.631 0.988 2.117 1.00 0.00 C ATOM 761 CD1 TRP A 52 -5.951 2.172 2.168 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.420 0.925 3.309 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.271 2.848 3.320 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.171 2.105 4.037 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.316 -0.012 3.832 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -7.784 2.369 5.259 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -8.923 0.251 5.045 1.00 0.00 C ATOM 768 CH2 TRP A 52 -8.656 1.434 5.747 1.00 0.00 C ATOM 0 H TRP A 52 -3.948 0.032 -0.054 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.312 -1.380 2.153 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.537 0.461 0.063 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.472 -0.644 1.052 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.263 2.524 1.414 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -5.899 3.756 3.597 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.530 -0.926 3.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.579 3.279 5.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -9.615 -0.467 5.459 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.148 1.611 6.692 1.00 0.00 H new ATOM 779 N LYS A 53 -5.861 -3.284 0.654 1.00 0.00 N ATOM 780 CA LYS A 53 -6.021 -4.463 -0.189 1.00 0.00 C ATOM 781 C LYS A 53 -7.346 -5.161 0.097 1.00 0.00 C ATOM 782 O LYS A 53 -7.441 -5.987 1.004 1.00 0.00 O ATOM 783 CB LYS A 53 -4.861 -5.437 0.035 1.00 0.00 C ATOM 784 CG LYS A 53 -4.938 -6.683 -0.829 1.00 0.00 C ATOM 785 CD LYS A 53 -3.555 -7.180 -1.216 1.00 0.00 C ATOM 786 CE LYS A 53 -3.356 -8.636 -0.823 1.00 0.00 C ATOM 787 NZ LYS A 53 -3.040 -8.782 0.625 1.00 0.00 N ATOM 0 H LYS A 53 -6.070 -3.440 1.640 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.019 -4.137 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.921 -4.923 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.843 -5.733 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.470 -7.468 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.513 -6.467 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.415 -7.070 -2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.797 -6.564 -0.731 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.258 -9.202 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.548 -9.065 -1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.912 -9.789 0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.165 -8.263 0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.822 -8.396 1.192 1.00 0.00 H new ATOM 801 N GLY A 54 -8.368 -4.824 -0.684 1.00 0.00 N ATOM 802 CA GLY A 54 -9.674 -5.429 -0.499 1.00 0.00 C ATOM 803 C GLY A 54 -10.398 -4.886 0.717 1.00 0.00 C ATOM 804 O GLY A 54 -10.812 -5.645 1.593 1.00 0.00 O ATOM 0 H GLY A 54 -8.315 -4.143 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.281 -5.254 -1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.560 -6.508 -0.398 1.00 0.00 H new ATOM 808 N HIS A 55 -10.550 -3.566 0.772 1.00 0.00 N ATOM 809 CA HIS A 55 -11.228 -2.921 1.891 1.00 0.00 C ATOM 810 C HIS A 55 -10.547 -3.267 3.212 1.00 0.00 C ATOM 811 O HIS A 55 -11.190 -3.309 4.260 1.00 0.00 O ATOM 812 CB HIS A 55 -12.697 -3.342 1.936 1.00 0.00 C ATOM 813 CG HIS A 55 -13.522 -2.758 0.831 1.00 0.00 C ATOM 814 ND1 HIS A 55 -13.839 -1.418 0.757 1.00 0.00 N ATOM 815 CD2 HIS A 55 -14.095 -3.339 -0.249 1.00 0.00 C ATOM 816 CE1 HIS A 55 -14.572 -1.200 -0.320 1.00 0.00 C ATOM 817 NE2 HIS A 55 -14.742 -2.350 -0.948 1.00 0.00 N ATOM 0 H HIS A 55 -10.213 -2.923 0.055 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.171 -1.842 1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.756 -4.429 1.887 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.123 -3.042 2.894 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.051 -4.386 -0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -14.965 -0.244 -0.634 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -15.268 -2.482 -1.812 1.00 0.00 H new ATOM 825 N GLU A 56 -9.242 -3.515 3.152 1.00 0.00 N ATOM 826 CA GLU A 56 -8.475 -3.859 4.343 1.00 0.00 C ATOM 827 C GLU A 56 -7.150 -3.102 4.375 1.00 0.00 C ATOM 828 O GLU A 56 -6.488 -2.942 3.349 1.00 0.00 O ATOM 829 CB GLU A 56 -8.215 -5.366 4.393 1.00 0.00 C ATOM 830 CG GLU A 56 -7.448 -5.811 5.626 1.00 0.00 C ATOM 831 CD GLU A 56 -8.180 -5.492 6.915 1.00 0.00 C ATOM 832 OE1 GLU A 56 -9.353 -5.898 7.049 1.00 0.00 O ATOM 833 OE2 GLU A 56 -7.579 -4.835 7.791 1.00 0.00 O ATOM 0 H GLU A 56 -8.695 -3.484 2.292 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.060 -3.570 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.169 -5.892 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.658 -5.660 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.269 -6.885 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.472 -5.326 5.637 1.00 0.00 H new ATOM 840 N THR A 57 -6.769 -2.638 5.561 1.00 0.00 N ATOM 841 CA THR A 57 -5.525 -1.896 5.727 1.00 0.00 C ATOM 842 C THR A 57 -4.351 -2.839 5.969 1.00 0.00 C ATOM 843 O THR A 57 -4.428 -3.740 6.806 1.00 0.00 O ATOM 844 CB THR A 57 -5.617 -0.899 6.897 1.00 0.00 C ATOM 845 OG1 THR A 57 -6.969 -0.815 7.363 1.00 0.00 O ATOM 846 CG2 THR A 57 -5.136 0.480 6.472 1.00 0.00 C ATOM 0 H THR A 57 -7.304 -2.763 6.421 1.00 0.00 H new ATOM 0 HA THR A 57 -5.360 -1.344 4.802 1.00 0.00 H new ATOM 0 HB THR A 57 -4.976 -1.258 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.518 -0.355 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.210 1.167 7.315 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.098 0.418 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.754 0.844 5.652 1.00 0.00 H new ATOM 854 N LEU A 58 -3.266 -2.626 5.234 1.00 0.00 N ATOM 855 CA LEU A 58 -2.074 -3.456 5.370 1.00 0.00 C ATOM 856 C LEU A 58 -1.149 -2.908 6.452 1.00 0.00 C ATOM 857 O LEU A 58 -1.130 -1.706 6.715 1.00 0.00 O ATOM 858 CB LEU A 58 -1.329 -3.535 4.037 1.00 0.00 C ATOM 859 CG LEU A 58 -2.160 -3.963 2.827 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.342 -3.849 1.550 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.673 -5.385 3.009 1.00 0.00 C ATOM 0 H LEU A 58 -3.187 -1.885 4.537 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.390 -4.457 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.896 -2.557 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.500 -4.234 4.148 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.018 -3.296 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.950 -4.158 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.024 -2.815 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.465 -4.492 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.262 -5.673 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.828 -6.065 3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.296 -5.436 3.902 1.00 0.00 H new ATOM 873 N ARG A 59 -0.382 -3.798 7.073 1.00 0.00 N ATOM 874 CA ARG A 59 0.547 -3.404 8.126 1.00 0.00 C ATOM 875 C ARG A 59 1.991 -3.638 7.692 1.00 0.00 C ATOM 876 O ARG A 59 2.251 -4.351 6.723 1.00 0.00 O ATOM 877 CB ARG A 59 0.256 -4.182 9.410 1.00 0.00 C ATOM 878 CG ARG A 59 -0.958 -3.672 10.170 1.00 0.00 C ATOM 879 CD ARG A 59 -2.254 -4.081 9.488 1.00 0.00 C ATOM 880 NE ARG A 59 -3.297 -4.419 10.453 1.00 0.00 N ATOM 881 CZ ARG A 59 -3.309 -5.545 11.159 1.00 0.00 C ATOM 882 NH1 ARG A 59 -2.338 -6.436 11.008 1.00 0.00 N ATOM 883 NH2 ARG A 59 -4.292 -5.780 12.018 1.00 0.00 N ATOM 0 H ARG A 59 -0.385 -4.797 6.865 1.00 0.00 H new ATOM 0 HA ARG A 59 0.411 -2.339 8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.104 -5.232 9.162 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.129 -4.132 10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.942 -4.062 11.188 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.912 -2.586 10.245 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.600 -3.268 8.850 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.068 -4.938 8.840 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.058 -3.754 10.593 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.580 -6.258 10.349 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.349 -7.299 11.551 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.040 -5.096 12.137 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.300 -6.644 12.559 1.00 0.00 H new ATOM 897 N ASP A 60 2.926 -3.032 8.416 1.00 0.00 N ATOM 898 CA ASP A 60 4.344 -3.174 8.107 1.00 0.00 C ATOM 899 C ASP A 60 5.014 -4.151 9.068 1.00 0.00 C ATOM 900 O ASP A 60 4.764 -4.123 10.272 1.00 0.00 O ATOM 901 CB ASP A 60 5.041 -1.815 8.173 1.00 0.00 C ATOM 902 CG ASP A 60 4.737 -1.070 9.458 1.00 0.00 C ATOM 903 OD1 ASP A 60 5.226 -1.501 10.524 1.00 0.00 O ATOM 904 OD2 ASP A 60 4.011 -0.056 9.398 1.00 0.00 O ATOM 0 H ASP A 60 2.727 -2.438 9.221 1.00 0.00 H new ATOM 0 HA ASP A 60 4.432 -3.569 7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.118 -1.958 8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.730 -1.209 7.323 1.00 0.00 H new ATOM 909 N GLY A 61 5.866 -5.016 8.526 1.00 0.00 N ATOM 910 CA GLY A 61 6.558 -5.990 9.349 1.00 0.00 C ATOM 911 C GLY A 61 7.562 -6.807 8.561 1.00 0.00 C ATOM 912 O GLY A 61 8.334 -6.262 7.772 1.00 0.00 O ATOM 0 H GLY A 61 6.089 -5.059 7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.071 -5.475 10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.828 -6.659 9.806 1.00 0.00 H new ATOM 916 N ASP A 62 7.554 -8.118 8.774 1.00 0.00 N ATOM 917 CA ASP A 62 8.472 -9.012 8.078 1.00 0.00 C ATOM 918 C ASP A 62 7.895 -9.443 6.733 1.00 0.00 C ATOM 919 O ASP A 62 8.457 -9.141 5.680 1.00 0.00 O ATOM 920 CB ASP A 62 8.769 -10.243 8.936 1.00 0.00 C ATOM 921 CG ASP A 62 10.194 -10.734 8.770 1.00 0.00 C ATOM 922 OD1 ASP A 62 11.110 -10.096 9.330 1.00 0.00 O ATOM 923 OD2 ASP A 62 10.392 -11.757 8.082 1.00 0.00 O ATOM 0 H ASP A 62 6.922 -8.586 9.423 1.00 0.00 H new ATOM 0 HA ASP A 62 9.401 -8.471 7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.590 -10.004 9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.079 -11.043 8.670 1.00 0.00 H new ATOM 928 N ARG A 63 6.771 -10.151 6.776 1.00 0.00 N ATOM 929 CA ARG A 63 6.119 -10.625 5.561 1.00 0.00 C ATOM 930 C ARG A 63 5.903 -9.478 4.577 1.00 0.00 C ATOM 931 O ARG A 63 5.922 -9.677 3.362 1.00 0.00 O ATOM 932 CB ARG A 63 4.779 -11.281 5.898 1.00 0.00 C ATOM 933 CG ARG A 63 4.912 -12.547 6.729 1.00 0.00 C ATOM 934 CD ARG A 63 3.882 -12.592 7.846 1.00 0.00 C ATOM 935 NE ARG A 63 4.115 -11.555 8.848 1.00 0.00 N ATOM 936 CZ ARG A 63 3.191 -11.145 9.710 1.00 0.00 C ATOM 937 NH1 ARG A 63 1.979 -11.681 9.692 1.00 0.00 N ATOM 938 NH2 ARG A 63 3.479 -10.197 10.592 1.00 0.00 N ATOM 0 H ARG A 63 6.293 -10.409 7.639 1.00 0.00 H new ATOM 0 HA ARG A 63 6.770 -11.364 5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.160 -10.565 6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.257 -11.518 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.792 -13.419 6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.914 -12.600 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.884 -12.471 7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.909 -13.571 8.325 1.00 0.00 H new ATOM 0 HE ARG A 63 5.038 -11.122 8.888 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.754 -12.410 9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.271 -11.364 10.355 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.411 -9.782 10.609 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.769 -9.883 11.253 1.00 0.00 H new ATOM 952 N HIS A 64 5.697 -8.278 5.111 1.00 0.00 N ATOM 953 CA HIS A 64 5.478 -7.100 4.280 1.00 0.00 C ATOM 954 C HIS A 64 6.398 -5.958 4.702 1.00 0.00 C ATOM 955 O HIS A 64 6.613 -5.729 5.892 1.00 0.00 O ATOM 956 CB HIS A 64 4.018 -6.652 4.368 1.00 0.00 C ATOM 957 CG HIS A 64 3.060 -7.603 3.718 1.00 0.00 C ATOM 958 ND1 HIS A 64 2.648 -8.778 4.310 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.431 -7.546 2.521 1.00 0.00 C ATOM 960 CE1 HIS A 64 1.809 -9.404 3.505 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.660 -8.676 2.412 1.00 0.00 N ATOM 0 H HIS A 64 5.677 -8.096 6.114 1.00 0.00 H new ATOM 0 HA HIS A 64 5.708 -7.366 3.248 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.745 -6.534 5.417 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.918 -5.672 3.901 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.519 -6.758 1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.327 -10.349 3.706 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.068 -8.915 1.617 1.00 0.00 H new ATOM 969 N SER A 65 6.939 -5.247 3.718 1.00 0.00 N ATOM 970 CA SER A 65 7.840 -4.132 3.988 1.00 0.00 C ATOM 971 C SER A 65 7.315 -2.845 3.359 1.00 0.00 C ATOM 972 O SER A 65 6.845 -2.843 2.221 1.00 0.00 O ATOM 973 CB SER A 65 9.240 -4.440 3.453 1.00 0.00 C ATOM 974 OG SER A 65 9.373 -5.814 3.131 1.00 0.00 O ATOM 0 H SER A 65 6.770 -5.423 2.728 1.00 0.00 H new ATOM 0 HA SER A 65 7.893 -3.993 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.435 -3.835 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.986 -4.164 4.198 1.00 0.00 H new ATOM 0 HG SER A 65 10.276 -5.984 2.790 1.00 0.00 H new ATOM 980 N LEU A 66 7.399 -1.751 4.109 1.00 0.00 N ATOM 981 CA LEU A 66 6.932 -0.456 3.627 1.00 0.00 C ATOM 982 C LEU A 66 8.064 0.566 3.631 1.00 0.00 C ATOM 983 O LEU A 66 8.768 0.724 4.629 1.00 0.00 O ATOM 984 CB LEU A 66 5.774 0.045 4.492 1.00 0.00 C ATOM 985 CG LEU A 66 4.419 -0.620 4.250 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.394 -2.016 4.853 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.297 0.231 4.825 1.00 0.00 C ATOM 0 H LEU A 66 7.786 -1.735 5.053 1.00 0.00 H new ATOM 0 HA LEU A 66 6.584 -0.581 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.043 -0.094 5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.664 1.117 4.331 1.00 0.00 H new ATOM 0 HG LEU A 66 4.266 -0.708 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.422 -2.474 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.173 -2.625 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.569 -1.952 5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.340 -0.258 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.445 0.352 5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.301 1.210 4.346 1.00 0.00 H new ATOM 999 N ARG A 67 8.233 1.259 2.510 1.00 0.00 N ATOM 1000 CA ARG A 67 9.279 2.267 2.384 1.00 0.00 C ATOM 1001 C ARG A 67 8.729 3.547 1.761 1.00 0.00 C ATOM 1002 O ARG A 67 7.966 3.500 0.796 1.00 0.00 O ATOM 1003 CB ARG A 67 10.435 1.731 1.538 1.00 0.00 C ATOM 1004 CG ARG A 67 10.983 0.401 2.029 1.00 0.00 C ATOM 1005 CD ARG A 67 12.215 -0.018 1.242 1.00 0.00 C ATOM 1006 NE ARG A 67 13.449 0.237 1.980 1.00 0.00 N ATOM 1007 CZ ARG A 67 14.642 -0.195 1.588 1.00 0.00 C ATOM 1008 NH1 ARG A 67 14.762 -0.899 0.471 1.00 0.00 N ATOM 1009 NH2 ARG A 67 15.719 0.078 2.313 1.00 0.00 N ATOM 0 H ARG A 67 7.659 1.141 1.675 1.00 0.00 H new ATOM 0 HA ARG A 67 9.647 2.499 3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.098 1.617 0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.240 2.466 1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.234 0.478 3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.214 -0.366 1.939 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.149 -1.079 1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.241 0.521 0.295 1.00 0.00 H new ATOM 0 HE ARG A 67 13.391 0.776 2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.937 -1.110 -0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.680 -1.229 0.173 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.631 0.620 3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.635 -0.254 2.011 1.00 0.00 H new ATOM 1023 N GLN A 68 9.121 4.687 2.320 1.00 0.00 N ATOM 1024 CA GLN A 68 8.666 5.979 1.819 1.00 0.00 C ATOM 1025 C GLN A 68 9.819 6.974 1.753 1.00 0.00 C ATOM 1026 O GLN A 68 10.506 7.210 2.747 1.00 0.00 O ATOM 1027 CB GLN A 68 7.551 6.530 2.709 1.00 0.00 C ATOM 1028 CG GLN A 68 6.785 7.683 2.080 1.00 0.00 C ATOM 1029 CD GLN A 68 6.057 8.529 3.107 1.00 0.00 C ATOM 1030 OE1 GLN A 68 6.126 8.264 4.307 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.353 9.553 2.639 1.00 0.00 N ATOM 0 H GLN A 68 9.752 4.743 3.119 1.00 0.00 H new ATOM 0 HA GLN A 68 8.278 5.834 0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.853 5.726 2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.982 6.863 3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.478 8.313 1.521 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.065 7.288 1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.324 9.736 1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.841 10.157 3.283 1.00 0.00 H new ATOM 1040 N ASP A 69 10.026 7.555 0.577 1.00 0.00 N ATOM 1041 CA ASP A 69 11.096 8.526 0.381 1.00 0.00 C ATOM 1042 C ASP A 69 10.576 9.773 -0.328 1.00 0.00 C ATOM 1043 O ASP A 69 10.692 9.901 -1.546 1.00 0.00 O ATOM 1044 CB ASP A 69 12.237 7.904 -0.426 1.00 0.00 C ATOM 1045 CG ASP A 69 13.061 6.929 0.392 1.00 0.00 C ATOM 1046 OD1 ASP A 69 12.577 5.804 0.637 1.00 0.00 O ATOM 1047 OD2 ASP A 69 14.188 7.292 0.789 1.00 0.00 O ATOM 0 H ASP A 69 9.467 7.370 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 69 11.472 8.818 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.825 7.388 -1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.885 8.695 -0.803 1.00 0.00 H new ATOM 1052 N GLY A 70 10.001 10.690 0.444 1.00 0.00 N ATOM 1053 CA GLY A 70 9.471 11.914 -0.127 1.00 0.00 C ATOM 1054 C GLY A 70 8.226 11.674 -0.958 1.00 0.00 C ATOM 1055 O GLY A 70 7.123 11.573 -0.422 1.00 0.00 O ATOM 0 H GLY A 70 9.893 10.607 1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.239 12.615 0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.234 12.382 -0.749 1.00 0.00 H new ATOM 1059 N ALA A 71 8.403 11.584 -2.273 1.00 0.00 N ATOM 1060 CA ALA A 71 7.285 11.353 -3.179 1.00 0.00 C ATOM 1061 C ALA A 71 7.274 9.914 -3.682 1.00 0.00 C ATOM 1062 O ALA A 71 6.218 9.366 -4.001 1.00 0.00 O ATOM 1063 CB ALA A 71 7.347 12.323 -4.350 1.00 0.00 C ATOM 0 H ALA A 71 9.309 11.668 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 71 6.361 11.524 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.506 12.140 -5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.298 13.346 -3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.281 12.179 -4.893 1.00 0.00 H new ATOM 1069 N ARG A 72 8.454 9.307 -3.752 1.00 0.00 N ATOM 1070 CA ARG A 72 8.579 7.931 -4.219 1.00 0.00 C ATOM 1071 C ARG A 72 8.324 6.946 -3.082 1.00 0.00 C ATOM 1072 O ARG A 72 9.025 6.957 -2.069 1.00 0.00 O ATOM 1073 CB ARG A 72 9.970 7.696 -4.810 1.00 0.00 C ATOM 1074 CG ARG A 72 10.000 7.725 -6.329 1.00 0.00 C ATOM 1075 CD ARG A 72 11.347 7.272 -6.869 1.00 0.00 C ATOM 1076 NE ARG A 72 12.093 8.373 -7.472 1.00 0.00 N ATOM 1077 CZ ARG A 72 13.396 8.325 -7.728 1.00 0.00 C ATOM 1078 NH1 ARG A 72 14.092 7.235 -7.435 1.00 0.00 N ATOM 1079 NH2 ARG A 72 14.004 9.368 -8.278 1.00 0.00 N ATOM 0 H ARG A 72 9.337 9.746 -3.491 1.00 0.00 H new ATOM 0 HA ARG A 72 7.830 7.766 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.651 8.456 -4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.343 6.731 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.214 7.080 -6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.788 8.735 -6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.934 6.836 -6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.195 6.488 -7.611 1.00 0.00 H new ATOM 0 HE ARG A 72 11.586 9.226 -7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.627 6.431 -7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.092 7.200 -7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.471 10.208 -8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.004 9.330 -8.474 1.00 0.00 H new ATOM 1093 N CYS A 73 7.317 6.098 -3.256 1.00 0.00 N ATOM 1094 CA CYS A 73 6.968 5.107 -2.244 1.00 0.00 C ATOM 1095 C CYS A 73 7.211 3.693 -2.761 1.00 0.00 C ATOM 1096 O CYS A 73 7.227 3.459 -3.968 1.00 0.00 O ATOM 1097 CB CYS A 73 5.505 5.267 -1.827 1.00 0.00 C ATOM 1098 SG CYS A 73 5.030 6.967 -1.434 1.00 0.00 S ATOM 0 H CYS A 73 6.728 6.076 -4.088 1.00 0.00 H new ATOM 0 HA CYS A 73 7.606 5.271 -1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.867 4.900 -2.631 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.316 4.638 -0.957 1.00 0.00 H new ATOM 0 HG CYS A 73 3.951 6.960 -0.709 1.00 0.00 H new ATOM 1104 N GLU A 74 7.400 2.755 -1.838 1.00 0.00 N ATOM 1105 CA GLU A 74 7.645 1.365 -2.202 1.00 0.00 C ATOM 1106 C GLU A 74 7.076 0.419 -1.148 1.00 0.00 C ATOM 1107 O GLU A 74 7.114 0.708 0.048 1.00 0.00 O ATOM 1108 CB GLU A 74 9.145 1.115 -2.370 1.00 0.00 C ATOM 1109 CG GLU A 74 9.712 1.663 -3.669 1.00 0.00 C ATOM 1110 CD GLU A 74 8.942 1.190 -4.887 1.00 0.00 C ATOM 1111 OE1 GLU A 74 8.542 0.007 -4.914 1.00 0.00 O ATOM 1112 OE2 GLU A 74 8.739 2.003 -5.813 1.00 0.00 O ATOM 0 H GLU A 74 7.388 2.933 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 74 7.143 1.170 -3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.676 1.567 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.333 0.042 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.699 2.752 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.755 1.360 -3.763 1.00 0.00 H new ATOM 1119 N LEU A 75 6.548 -0.713 -1.602 1.00 0.00 N ATOM 1120 CA LEU A 75 5.969 -1.703 -0.700 1.00 0.00 C ATOM 1121 C LEU A 75 6.356 -3.116 -1.123 1.00 0.00 C ATOM 1122 O LEU A 75 5.843 -3.639 -2.113 1.00 0.00 O ATOM 1123 CB LEU A 75 4.446 -1.565 -0.669 1.00 0.00 C ATOM 1124 CG LEU A 75 3.683 -2.706 0.005 1.00 0.00 C ATOM 1125 CD1 LEU A 75 3.965 -2.726 1.500 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.189 -2.576 -0.256 1.00 0.00 C ATOM 0 H LEU A 75 6.509 -0.968 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 75 6.363 -1.523 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.196 -0.635 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.089 -1.471 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 75 4.025 -3.649 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.414 -3.544 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.033 -2.867 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.651 -1.781 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.662 -3.396 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.831 -1.627 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.003 -2.612 -1.329 1.00 0.00 H new ATOM 1138 N GLN A 76 7.260 -3.729 -0.366 1.00 0.00 N ATOM 1139 CA GLN A 76 7.713 -5.083 -0.662 1.00 0.00 C ATOM 1140 C GLN A 76 6.784 -6.117 -0.036 1.00 0.00 C ATOM 1141 O GLN A 76 6.283 -5.925 1.073 1.00 0.00 O ATOM 1142 CB GLN A 76 9.141 -5.288 -0.154 1.00 0.00 C ATOM 1143 CG GLN A 76 9.615 -6.730 -0.238 1.00 0.00 C ATOM 1144 CD GLN A 76 11.058 -6.896 0.197 1.00 0.00 C ATOM 1145 OE1 GLN A 76 11.364 -7.697 1.081 1.00 0.00 O ATOM 1146 NE2 GLN A 76 11.955 -6.138 -0.424 1.00 0.00 N ATOM 0 H GLN A 76 7.693 -3.310 0.457 1.00 0.00 H new ATOM 0 HA GLN A 76 7.697 -5.216 -1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.817 -4.658 -0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.201 -4.954 0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.977 -7.355 0.387 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.505 -7.086 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.657 -5.487 -1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.941 -6.207 -0.174 1.00 0.00 H new ATOM 1155 N ILE A 77 6.558 -7.213 -0.752 1.00 0.00 N ATOM 1156 CA ILE A 77 5.689 -8.278 -0.265 1.00 0.00 C ATOM 1157 C ILE A 77 6.375 -9.636 -0.365 1.00 0.00 C ATOM 1158 O ILE A 77 6.391 -10.258 -1.428 1.00 0.00 O ATOM 1159 CB ILE A 77 4.364 -8.326 -1.048 1.00 0.00 C ATOM 1160 CG1 ILE A 77 3.638 -6.983 -0.948 1.00 0.00 C ATOM 1161 CG2 ILE A 77 3.482 -9.451 -0.528 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.134 -6.468 -2.278 1.00 0.00 C ATOM 0 H ILE A 77 6.964 -7.387 -1.671 1.00 0.00 H new ATOM 0 HA ILE A 77 5.476 -8.057 0.781 1.00 0.00 H new ATOM 0 HB ILE A 77 4.586 -8.520 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.795 -7.085 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.313 -6.245 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.549 -9.472 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.999 -10.403 -0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.265 -9.285 0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.630 -5.513 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.975 -6.334 -2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.433 -7.186 -2.704 1.00 0.00 H new ATOM 1174 N ARG A 78 6.941 -10.091 0.748 1.00 0.00 N ATOM 1175 CA ARG A 78 7.628 -11.376 0.786 1.00 0.00 C ATOM 1176 C ARG A 78 6.664 -12.497 1.163 1.00 0.00 C ATOM 1177 O ARG A 78 5.886 -12.370 2.108 1.00 0.00 O ATOM 1178 CB ARG A 78 8.787 -11.329 1.783 1.00 0.00 C ATOM 1179 CG ARG A 78 10.059 -10.725 1.210 1.00 0.00 C ATOM 1180 CD ARG A 78 11.199 -10.769 2.216 1.00 0.00 C ATOM 1181 NE ARG A 78 11.029 -9.783 3.279 1.00 0.00 N ATOM 1182 CZ ARG A 78 11.944 -9.543 4.212 1.00 0.00 C ATOM 1183 NH1 ARG A 78 13.088 -10.214 4.211 1.00 0.00 N ATOM 1184 NH2 ARG A 78 11.717 -8.630 5.147 1.00 0.00 N ATOM 0 H ARG A 78 6.937 -9.588 1.636 1.00 0.00 H new ATOM 0 HA ARG A 78 8.022 -11.579 -0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.482 -10.751 2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.999 -12.341 2.129 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.346 -11.267 0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.872 -9.692 0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.259 -11.766 2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.143 -10.589 1.702 1.00 0.00 H new ATOM 0 HE ARG A 78 10.160 -9.249 3.307 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.267 -10.916 3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.789 -10.028 4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.839 -8.111 5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.420 -8.447 5.863 1.00 0.00 H new ATOM 1198 N GLY A 79 6.721 -13.596 0.416 1.00 0.00 N ATOM 1199 CA GLY A 79 5.847 -14.723 0.687 1.00 0.00 C ATOM 1200 C GLY A 79 4.818 -14.935 -0.405 1.00 0.00 C ATOM 1201 O GLY A 79 3.714 -15.414 -0.144 1.00 0.00 O ATOM 0 H GLY A 79 7.356 -13.726 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.447 -15.626 0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.337 -14.563 1.637 1.00 0.00 H new ATOM 1205 N LEU A 80 5.179 -14.576 -1.632 1.00 0.00 N ATOM 1206 CA LEU A 80 4.277 -14.728 -2.770 1.00 0.00 C ATOM 1207 C LEU A 80 3.923 -16.195 -2.991 1.00 0.00 C ATOM 1208 O LEU A 80 4.719 -16.963 -3.532 1.00 0.00 O ATOM 1209 CB LEU A 80 4.917 -14.150 -4.033 1.00 0.00 C ATOM 1210 CG LEU A 80 5.158 -12.640 -4.033 1.00 0.00 C ATOM 1211 CD1 LEU A 80 6.179 -12.262 -5.094 1.00 0.00 C ATOM 1212 CD2 LEU A 80 3.852 -11.892 -4.257 1.00 0.00 C ATOM 0 H LEU A 80 6.089 -14.178 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 80 3.360 -14.181 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.872 -14.650 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.281 -14.396 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 80 5.555 -12.355 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.337 -11.184 -5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.121 -12.770 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.811 -12.561 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.042 -10.819 -4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.427 -12.182 -5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.150 -12.138 -3.460 1.00 0.00 H new ATOM 1224 N VAL A 81 2.721 -16.578 -2.571 1.00 0.00 N ATOM 1225 CA VAL A 81 2.259 -17.952 -2.726 1.00 0.00 C ATOM 1226 C VAL A 81 0.900 -18.001 -3.415 1.00 0.00 C ATOM 1227 O VAL A 81 0.637 -18.884 -4.231 1.00 0.00 O ATOM 1228 CB VAL A 81 2.159 -18.668 -1.366 1.00 0.00 C ATOM 1229 CG1 VAL A 81 0.990 -18.122 -0.560 1.00 0.00 C ATOM 1230 CG2 VAL A 81 2.026 -20.171 -1.563 1.00 0.00 C ATOM 0 H VAL A 81 2.050 -15.956 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 81 2.995 -18.465 -3.345 1.00 0.00 H new ATOM 0 HB VAL A 81 3.075 -18.478 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.935 -18.640 0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.133 -17.055 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.063 -18.279 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.957 -20.661 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.127 -20.384 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.899 -20.547 -2.097 1.00 0.00 H new ATOM 1240 N ALA A 82 0.039 -17.045 -3.081 1.00 0.00 N ATOM 1241 CA ALA A 82 -1.293 -16.976 -3.669 1.00 0.00 C ATOM 1242 C ALA A 82 -2.138 -15.904 -2.990 1.00 0.00 C ATOM 1243 O ALA A 82 -3.023 -15.315 -3.609 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.980 -18.330 -3.577 1.00 0.00 C ATOM 0 H ALA A 82 0.241 -16.307 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.187 -16.705 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.974 -18.265 -4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.392 -19.074 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.067 -18.623 -2.531 1.00 0.00 H new ATOM 1250 N GLU A 83 -1.860 -15.657 -1.713 1.00 0.00 N ATOM 1251 CA GLU A 83 -2.597 -14.657 -0.951 1.00 0.00 C ATOM 1252 C GLU A 83 -2.068 -13.255 -1.239 1.00 0.00 C ATOM 1253 O GLU A 83 -2.815 -12.277 -1.194 1.00 0.00 O ATOM 1254 CB GLU A 83 -2.501 -14.952 0.547 1.00 0.00 C ATOM 1255 CG GLU A 83 -3.802 -15.448 1.155 1.00 0.00 C ATOM 1256 CD GLU A 83 -4.155 -14.732 2.444 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -3.253 -14.550 3.288 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -5.333 -14.352 2.608 1.00 0.00 O ATOM 0 H GLU A 83 -1.130 -16.136 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.642 -14.702 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.725 -15.699 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.189 -14.047 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.610 -15.312 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.724 -16.518 1.348 1.00 0.00 H new ATOM 1265 N ASP A 84 -0.776 -13.165 -1.536 1.00 0.00 N ATOM 1266 CA ASP A 84 -0.146 -11.884 -1.832 1.00 0.00 C ATOM 1267 C ASP A 84 -0.747 -11.261 -3.089 1.00 0.00 C ATOM 1268 O ASP A 84 -0.733 -10.042 -3.256 1.00 0.00 O ATOM 1269 CB ASP A 84 1.363 -12.062 -2.007 1.00 0.00 C ATOM 1270 CG ASP A 84 2.072 -12.312 -0.691 1.00 0.00 C ATOM 1271 OD1 ASP A 84 1.410 -12.233 0.365 1.00 0.00 O ATOM 1272 OD2 ASP A 84 3.289 -12.589 -0.717 1.00 0.00 O ATOM 0 H ASP A 84 -0.144 -13.965 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.330 -11.214 -0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.552 -12.896 -2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.779 -11.171 -2.477 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.272 -12.107 -3.969 1.00 0.00 N ATOM 1278 CA ALA A 85 -1.877 -11.639 -5.210 1.00 0.00 C ATOM 1279 C ALA A 85 -3.219 -10.966 -4.946 1.00 0.00 C ATOM 1280 O ALA A 85 -3.868 -11.228 -3.934 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.048 -12.797 -6.183 1.00 0.00 C ATOM 0 H ALA A 85 -1.291 -13.119 -3.846 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.210 -10.900 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.501 -12.433 -7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.074 -13.233 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.692 -13.555 -5.737 1.00 0.00 H new ATOM 1287 N GLY A 86 -3.630 -10.095 -5.863 1.00 0.00 N ATOM 1288 CA GLY A 86 -4.893 -9.396 -5.710 1.00 0.00 C ATOM 1289 C GLY A 86 -4.812 -7.949 -6.153 1.00 0.00 C ATOM 1290 O GLY A 86 -3.864 -7.553 -6.831 1.00 0.00 O ATOM 0 H GLY A 86 -3.111 -9.861 -6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.661 -9.908 -6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.203 -9.436 -4.666 1.00 0.00 H new ATOM 1294 N GLU A 87 -5.810 -7.158 -5.772 1.00 0.00 N ATOM 1295 CA GLU A 87 -5.848 -5.747 -6.137 1.00 0.00 C ATOM 1296 C GLU A 87 -5.346 -4.874 -4.991 1.00 0.00 C ATOM 1297 O GLU A 87 -5.908 -4.886 -3.895 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.271 -5.335 -6.522 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.415 -3.852 -6.823 1.00 0.00 C ATOM 1300 CD GLU A 87 -8.551 -3.560 -7.784 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -8.572 -4.163 -8.877 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.418 -2.729 -7.443 1.00 0.00 O ATOM 0 H GLU A 87 -6.603 -7.470 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.191 -5.602 -6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.582 -5.907 -7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.949 -5.600 -5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.583 -3.311 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.482 -3.478 -7.245 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.286 -4.118 -5.251 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.706 -3.241 -4.241 1.00 0.00 C ATOM 1311 C TYR A 88 -4.214 -1.811 -4.403 1.00 0.00 C ATOM 1312 O TYR A 88 -4.785 -1.456 -5.436 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.179 -3.264 -4.331 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.552 -4.478 -3.683 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.698 -5.741 -4.243 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.814 -4.361 -2.512 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.128 -6.853 -3.653 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.239 -5.467 -1.917 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.399 -6.711 -2.491 1.00 0.00 C ATOM 1320 OH TYR A 88 0.172 -7.816 -1.902 1.00 0.00 O ATOM 0 H TYR A 88 -3.810 -4.095 -6.153 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.012 -3.607 -3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.885 -3.230 -5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.782 -2.365 -3.859 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.266 -5.856 -5.154 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.688 -3.389 -2.059 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.253 -7.828 -4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.333 -5.358 -1.007 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.035 -8.613 -2.433 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.003 -0.995 -3.377 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.439 0.397 -3.404 1.00 0.00 C ATOM 1332 C LEU A 89 -3.463 1.287 -2.641 1.00 0.00 C ATOM 1333 O LEU A 89 -2.610 0.798 -1.899 1.00 0.00 O ATOM 1334 CB LEU A 89 -5.840 0.525 -2.804 1.00 0.00 C ATOM 1335 CG LEU A 89 -6.895 1.178 -3.697 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.146 0.316 -3.763 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.233 2.573 -3.190 1.00 0.00 C ATOM 0 H LEU A 89 -3.533 -1.273 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.465 0.724 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.189 -0.471 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.767 1.101 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.487 1.267 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.886 0.797 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.893 -0.662 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.557 0.194 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.986 3.023 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.622 2.507 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.334 3.190 -3.195 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.596 2.596 -2.827 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.727 3.556 -2.155 1.00 0.00 C ATOM 1351 C CYS A 90 -3.356 4.946 -2.147 1.00 0.00 C ATOM 1352 O CYS A 90 -3.171 5.726 -3.081 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.361 3.604 -2.840 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.008 4.114 -1.753 1.00 0.00 S ATOM 0 H CYS A 90 -4.297 3.017 -3.437 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.596 3.231 -1.123 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.135 2.618 -3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.414 4.292 -3.684 1.00 0.00 H new ATOM 0 HG CYS A 90 0.633 3.063 -1.336 1.00 0.00 H new ATOM 1360 N MET A 91 -4.100 5.247 -1.088 1.00 0.00 N ATOM 1361 CA MET A 91 -4.756 6.543 -0.960 1.00 0.00 C ATOM 1362 C MET A 91 -3.831 7.558 -0.296 1.00 0.00 C ATOM 1363 O MET A 91 -3.141 7.241 0.674 1.00 0.00 O ATOM 1364 CB MET A 91 -6.047 6.407 -0.150 1.00 0.00 C ATOM 1365 CG MET A 91 -6.956 5.291 -0.639 1.00 0.00 C ATOM 1366 SD MET A 91 -8.616 5.391 0.058 1.00 0.00 S ATOM 1367 CE MET A 91 -8.576 4.031 1.223 1.00 0.00 C ATOM 0 H MET A 91 -4.264 4.612 -0.307 1.00 0.00 H new ATOM 0 HA MET A 91 -4.999 6.899 -1.961 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.794 6.227 0.895 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.591 7.351 -0.188 1.00 0.00 H new ATOM 0 HG2 MET A 91 -7.020 5.330 -1.726 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.515 4.329 -0.380 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.588 3.814 1.564 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.160 3.148 0.738 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.955 4.302 2.077 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.820 8.776 -0.824 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.978 9.837 -0.283 1.00 0.00 C ATOM 1379 C CYS A 92 -3.774 11.126 -0.105 1.00 0.00 C ATOM 1380 O CYS A 92 -3.870 11.940 -1.023 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.781 10.085 -1.202 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.732 11.466 -0.691 1.00 0.00 S ATOM 0 H CYS A 92 -4.385 9.054 -1.627 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.616 9.517 0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.176 9.179 -1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -2.145 10.273 -2.212 1.00 0.00 H new ATOM 0 HG CYS A 92 -0.327 11.275 0.529 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.345 11.304 1.082 1.00 0.00 N ATOM 1389 CA GLY A 93 -5.128 12.494 1.358 1.00 0.00 C ATOM 1390 C GLY A 93 -6.488 12.462 0.691 1.00 0.00 C ATOM 1391 O GLY A 93 -7.505 12.236 1.347 1.00 0.00 O ATOM 0 H GLY A 93 -4.279 10.645 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.258 12.598 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.580 13.372 1.017 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.509 12.691 -0.618 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.754 12.688 -1.376 1.00 0.00 C ATOM 1397 C LYS A 94 -7.678 11.710 -2.544 1.00 0.00 C ATOM 1398 O LYS A 94 -8.549 10.856 -2.708 1.00 0.00 O ATOM 1399 CB LYS A 94 -8.063 14.094 -1.894 1.00 0.00 C ATOM 1400 CG LYS A 94 -7.999 15.166 -0.820 1.00 0.00 C ATOM 1401 CD LYS A 94 -9.295 15.955 -0.742 1.00 0.00 C ATOM 1402 CE LYS A 94 -9.536 16.759 -2.011 1.00 0.00 C ATOM 1403 NZ LYS A 94 -10.785 17.566 -1.928 1.00 0.00 N ATOM 0 H LYS A 94 -5.677 12.881 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.555 12.369 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.357 14.343 -2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.058 14.097 -2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.795 14.703 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.171 15.844 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.129 15.272 -0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.262 16.628 0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.688 17.420 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.597 16.082 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.913 18.099 -2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.598 16.934 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.717 18.230 -1.130 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.629 11.840 -3.351 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.440 10.966 -4.503 1.00 0.00 C ATOM 1419 C GLU A 95 -5.997 9.573 -4.063 1.00 0.00 C ATOM 1420 O GLU A 95 -5.757 9.332 -2.880 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.407 11.563 -5.460 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.969 12.646 -6.365 1.00 0.00 C ATOM 1423 CD GLU A 95 -7.152 12.165 -7.185 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -7.033 11.105 -7.833 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -8.196 12.851 -7.177 1.00 0.00 O ATOM 0 H GLU A 95 -5.898 12.541 -3.228 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.395 10.878 -5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.583 11.978 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.992 10.766 -6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.275 13.499 -5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.185 12.997 -7.036 1.00 0.00 H new ATOM 1432 N ARG A 96 -5.892 8.661 -5.024 1.00 0.00 N ATOM 1433 CA ARG A 96 -5.480 7.292 -4.736 1.00 0.00 C ATOM 1434 C ARG A 96 -5.112 6.554 -6.020 1.00 0.00 C ATOM 1435 O ARG A 96 -5.313 7.064 -7.122 1.00 0.00 O ATOM 1436 CB ARG A 96 -6.597 6.544 -4.006 1.00 0.00 C ATOM 1437 CG ARG A 96 -7.918 6.538 -4.758 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.031 5.923 -3.923 1.00 0.00 C ATOM 1439 NE ARG A 96 -10.118 6.868 -3.679 1.00 0.00 N ATOM 1440 CZ ARG A 96 -10.970 7.267 -4.617 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -10.861 6.805 -5.855 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -11.932 8.129 -4.317 1.00 0.00 N ATOM 0 H ARG A 96 -6.086 8.845 -6.008 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.599 7.331 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.282 5.515 -3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.748 6.999 -3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.187 7.558 -5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.807 5.979 -5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.423 5.043 -4.433 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.624 5.584 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.229 7.242 -2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.122 6.142 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.516 7.113 -6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.018 8.486 -3.365 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.586 8.435 -5.038 1.00 0.00 H new ATOM 1456 N THR A 97 -4.572 5.349 -5.869 1.00 0.00 N ATOM 1457 CA THR A 97 -4.174 4.541 -7.015 1.00 0.00 C ATOM 1458 C THR A 97 -4.252 3.053 -6.692 1.00 0.00 C ATOM 1459 O THR A 97 -3.862 2.623 -5.606 1.00 0.00 O ATOM 1460 CB THR A 97 -2.744 4.881 -7.473 1.00 0.00 C ATOM 1461 OG1 THR A 97 -2.410 4.124 -8.642 1.00 0.00 O ATOM 1462 CG2 THR A 97 -1.738 4.589 -6.369 1.00 0.00 C ATOM 0 H THR A 97 -4.400 4.911 -4.964 1.00 0.00 H new ATOM 0 HA THR A 97 -4.870 4.772 -7.821 1.00 0.00 H new ATOM 0 HB THR A 97 -2.705 5.945 -7.707 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.932 4.451 -9.404 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.735 4.837 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.977 5.189 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.781 3.531 -6.108 1.00 0.00 H new ATOM 1470 N SER A 98 -4.756 2.272 -7.641 1.00 0.00 N ATOM 1471 CA SER A 98 -4.888 0.831 -7.456 1.00 0.00 C ATOM 1472 C SER A 98 -4.186 0.073 -8.579 1.00 0.00 C ATOM 1473 O SER A 98 -3.901 0.632 -9.637 1.00 0.00 O ATOM 1474 CB SER A 98 -6.364 0.435 -7.404 1.00 0.00 C ATOM 1475 OG SER A 98 -7.194 1.502 -7.829 1.00 0.00 O ATOM 0 H SER A 98 -5.080 2.612 -8.546 1.00 0.00 H new ATOM 0 HA SER A 98 -4.415 0.566 -6.510 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.533 -0.436 -8.038 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.630 0.146 -6.387 1.00 0.00 H new ATOM 0 HG SER A 98 -8.132 1.223 -7.788 1.00 0.00 H new ATOM 1481 N ALA A 99 -3.909 -1.205 -8.338 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.242 -2.041 -9.328 1.00 0.00 C ATOM 1483 C ALA A 99 -3.587 -3.513 -9.125 1.00 0.00 C ATOM 1484 O ALA A 99 -4.096 -3.901 -8.074 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.736 -1.836 -9.264 1.00 0.00 C ATOM 0 H ALA A 99 -4.136 -1.683 -7.466 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.596 -1.745 -10.315 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.251 -2.467 -10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.502 -0.791 -9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.374 -2.103 -8.271 1.00 0.00 H new ATOM 1491 N MET A 100 -3.306 -4.327 -10.138 1.00 0.00 N ATOM 1492 CA MET A 100 -3.586 -5.756 -10.069 1.00 0.00 C ATOM 1493 C MET A 100 -2.292 -6.563 -10.039 1.00 0.00 C ATOM 1494 O MET A 100 -1.509 -6.536 -10.989 1.00 0.00 O ATOM 1495 CB MET A 100 -4.442 -6.188 -11.261 1.00 0.00 C ATOM 1496 CG MET A 100 -5.930 -5.947 -11.060 1.00 0.00 C ATOM 1497 SD MET A 100 -6.873 -7.480 -10.950 1.00 0.00 S ATOM 1498 CE MET A 100 -6.258 -8.145 -9.405 1.00 0.00 C ATOM 0 H MET A 100 -2.885 -4.021 -11.015 1.00 0.00 H new ATOM 0 HA MET A 100 -4.135 -5.949 -9.147 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.112 -5.649 -12.149 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.276 -7.248 -11.451 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.080 -5.366 -10.150 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.312 -5.348 -11.887 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.889 -8.976 -9.090 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.236 -8.498 -9.542 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.274 -7.367 -8.642 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.073 -7.280 -8.942 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.872 -8.095 -8.788 1.00 0.00 C ATOM 1510 C LEU A 101 -1.165 -9.559 -9.098 1.00 0.00 C ATOM 1511 O LEU A 101 -2.199 -10.096 -8.697 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.321 -7.962 -7.368 1.00 0.00 C ATOM 1513 CG LEU A 101 1.131 -8.399 -7.168 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.080 -7.247 -7.458 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.341 -8.922 -5.755 1.00 0.00 C ATOM 0 H LEU A 101 -2.711 -7.314 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.125 -7.736 -9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.412 -6.920 -7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.951 -8.548 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 101 1.347 -9.206 -7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.108 -7.577 -7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.949 -6.918 -8.489 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.864 -6.419 -6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.380 -9.228 -5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.106 -8.136 -5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.688 -9.777 -5.583 1.00 0.00 H new ATOM 1527 N THR A 102 -0.247 -10.203 -9.812 1.00 0.00 N ATOM 1528 CA THR A 102 -0.406 -11.606 -10.174 1.00 0.00 C ATOM 1529 C THR A 102 0.760 -12.442 -9.659 1.00 0.00 C ATOM 1530 O THR A 102 1.895 -11.971 -9.598 1.00 0.00 O ATOM 1531 CB THR A 102 -0.515 -11.783 -11.700 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.561 -10.952 -12.216 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.792 -13.236 -12.058 1.00 0.00 C ATOM 0 H THR A 102 0.615 -9.775 -10.151 1.00 0.00 H new ATOM 0 HA THR A 102 -1.330 -11.950 -9.709 1.00 0.00 H new ATOM 0 HB THR A 102 0.435 -11.490 -12.146 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.623 -11.069 -13.187 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.865 -13.336 -13.141 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.020 -13.863 -11.689 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.730 -13.551 -11.601 1.00 0.00 H new ATOM 1541 N VAL A 103 0.472 -13.686 -9.290 1.00 0.00 N ATOM 1542 CA VAL A 103 1.498 -14.590 -8.782 1.00 0.00 C ATOM 1543 C VAL A 103 1.527 -15.891 -9.576 1.00 0.00 C ATOM 1544 O VAL A 103 0.664 -16.752 -9.408 1.00 0.00 O ATOM 1545 CB VAL A 103 1.272 -14.915 -7.293 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.335 -15.878 -6.790 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.262 -13.639 -6.465 1.00 0.00 C ATOM 0 H VAL A 103 -0.463 -14.091 -9.333 1.00 0.00 H new ATOM 0 HA VAL A 103 2.454 -14.078 -8.894 1.00 0.00 H new ATOM 0 HB VAL A 103 0.300 -15.397 -7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.159 -16.096 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.289 -16.803 -7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.320 -15.426 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.101 -13.887 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.218 -13.127 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.460 -12.987 -6.811 1.00 0.00 H new ATOM 1557 N ARG A 104 2.526 -16.027 -10.442 1.00 0.00 N ATOM 1558 CA ARG A 104 2.668 -17.223 -11.263 1.00 0.00 C ATOM 1559 C ARG A 104 2.979 -18.442 -10.400 1.00 0.00 C ATOM 1560 O ARG A 104 3.102 -18.335 -9.180 1.00 0.00 O ATOM 1561 CB ARG A 104 3.773 -17.025 -12.303 1.00 0.00 C ATOM 1562 CG ARG A 104 3.460 -15.946 -13.326 1.00 0.00 C ATOM 1563 CD ARG A 104 2.498 -16.450 -14.391 1.00 0.00 C ATOM 1564 NE ARG A 104 1.595 -15.399 -14.853 1.00 0.00 N ATOM 1565 CZ ARG A 104 0.579 -15.616 -15.681 1.00 0.00 C ATOM 1566 NH1 ARG A 104 0.338 -16.838 -16.135 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -0.200 -14.609 -16.056 1.00 0.00 N ATOM 0 H ARG A 104 3.249 -15.323 -10.593 1.00 0.00 H new ATOM 0 HA ARG A 104 1.722 -17.395 -11.776 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.701 -16.770 -11.791 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.944 -17.968 -12.823 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.027 -15.081 -12.823 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.384 -15.611 -13.798 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.065 -16.839 -15.237 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.915 -17.279 -13.990 1.00 0.00 H new ATOM 0 HE ARG A 104 1.753 -14.447 -14.522 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.933 -17.615 -15.849 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.443 -17.001 -16.771 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.019 -13.667 -15.708 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.980 -14.777 -16.692 1.00 0.00 H new ATOM 1581 N ALA A 105 3.104 -19.599 -11.041 1.00 0.00 N ATOM 1582 CA ALA A 105 3.402 -20.837 -10.333 1.00 0.00 C ATOM 1583 C ALA A 105 4.804 -21.335 -10.663 1.00 0.00 C ATOM 1584 O ALA A 105 5.235 -21.286 -11.815 1.00 0.00 O ATOM 1585 CB ALA A 105 2.368 -21.901 -10.672 1.00 0.00 C ATOM 0 H ALA A 105 3.003 -19.705 -12.051 1.00 0.00 H new ATOM 0 HA ALA A 105 3.360 -20.633 -9.263 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.603 -22.821 -10.136 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.378 -21.553 -10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.382 -22.093 -11.745 1.00 0.00 H new ATOM 1591 N MET A 106 5.513 -21.813 -9.645 1.00 0.00 N ATOM 1592 CA MET A 106 6.868 -22.320 -9.829 1.00 0.00 C ATOM 1593 C MET A 106 6.895 -23.434 -10.871 1.00 0.00 C ATOM 1594 O MET A 106 5.874 -24.047 -11.185 1.00 0.00 O ATOM 1595 CB MET A 106 7.427 -22.834 -8.501 1.00 0.00 C ATOM 1596 CG MET A 106 8.250 -21.802 -7.748 1.00 0.00 C ATOM 1597 SD MET A 106 9.880 -22.416 -7.285 1.00 0.00 S ATOM 1598 CE MET A 106 10.176 -21.492 -5.779 1.00 0.00 C ATOM 0 H MET A 106 5.172 -21.860 -8.685 1.00 0.00 H new ATOM 0 HA MET A 106 7.491 -21.500 -10.184 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.600 -23.158 -7.869 1.00 0.00 H new ATOM 0 HB3 MET A 106 8.045 -23.711 -8.692 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.364 -20.912 -8.367 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.712 -21.499 -6.850 1.00 0.00 H new ATOM 0 HE1 MET A 106 11.150 -21.763 -5.371 1.00 0.00 H new ATOM 0 HE2 MET A 106 10.159 -20.424 -5.998 1.00 0.00 H new ATOM 0 HE3 MET A 106 9.400 -21.725 -5.050 1.00 0.00 H new ATOM 1608 N PRO A 107 8.088 -23.702 -11.421 1.00 0.00 N ATOM 1609 CA PRO A 107 8.276 -24.743 -12.436 1.00 0.00 C ATOM 1610 C PRO A 107 8.114 -26.147 -11.863 1.00 0.00 C ATOM 1611 O PRO A 107 8.600 -26.442 -10.771 1.00 0.00 O ATOM 1612 CB PRO A 107 9.714 -24.522 -12.910 1.00 0.00 C ATOM 1613 CG PRO A 107 10.394 -23.859 -11.761 1.00 0.00 C ATOM 1614 CD PRO A 107 9.346 -23.011 -11.094 1.00 0.00 C ATOM 0 HA PRO A 107 7.535 -24.674 -13.233 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.196 -25.466 -13.165 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.745 -23.897 -13.803 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.798 -24.597 -11.068 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.231 -23.249 -12.102 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.503 -22.951 -10.017 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.354 -21.990 -11.474 1.00 0.00 H new ATOM 1622 N SER A 108 7.429 -27.010 -12.606 1.00 0.00 N ATOM 1623 CA SER A 108 7.201 -28.383 -12.170 1.00 0.00 C ATOM 1624 C SER A 108 8.147 -29.344 -12.883 1.00 0.00 C ATOM 1625 O SER A 108 7.722 -30.362 -13.427 1.00 0.00 O ATOM 1626 CB SER A 108 5.750 -28.789 -12.433 1.00 0.00 C ATOM 1627 OG SER A 108 5.499 -28.915 -13.822 1.00 0.00 O ATOM 0 H SER A 108 7.022 -26.783 -13.513 1.00 0.00 H new ATOM 0 HA SER A 108 7.397 -28.435 -11.099 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.538 -29.735 -11.935 1.00 0.00 H new ATOM 0 HB3 SER A 108 5.078 -28.045 -12.005 1.00 0.00 H new ATOM 0 HG SER A 108 6.112 -29.576 -14.206 1.00 0.00 H new ATOM 1633 N GLY A 109 9.435 -29.011 -12.876 1.00 0.00 N ATOM 1634 CA GLY A 109 10.422 -29.854 -13.524 1.00 0.00 C ATOM 1635 C GLY A 109 11.738 -29.136 -13.750 1.00 0.00 C ATOM 1636 O GLY A 109 11.961 -28.032 -13.254 1.00 0.00 O ATOM 0 H GLY A 109 9.812 -28.173 -12.433 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.595 -30.740 -12.914 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.030 -30.198 -14.481 1.00 0.00 H new ATOM 1640 N PRO A 110 12.639 -29.771 -14.515 1.00 0.00 N ATOM 1641 CA PRO A 110 13.956 -29.205 -14.822 1.00 0.00 C ATOM 1642 C PRO A 110 13.867 -28.002 -15.755 1.00 0.00 C ATOM 1643 O PRO A 110 12.774 -27.558 -16.108 1.00 0.00 O ATOM 1644 CB PRO A 110 14.688 -30.360 -15.509 1.00 0.00 C ATOM 1645 CG PRO A 110 13.604 -31.205 -16.085 1.00 0.00 C ATOM 1646 CD PRO A 110 12.441 -31.090 -15.139 1.00 0.00 C ATOM 0 HA PRO A 110 14.458 -28.835 -13.928 1.00 0.00 H new ATOM 0 HB2 PRO A 110 15.361 -29.996 -16.285 1.00 0.00 H new ATOM 0 HB3 PRO A 110 15.294 -30.923 -14.799 1.00 0.00 H new ATOM 0 HG2 PRO A 110 13.331 -30.862 -17.083 1.00 0.00 H new ATOM 0 HG3 PRO A 110 13.927 -32.242 -16.182 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.488 -31.147 -15.665 1.00 0.00 H new ATOM 0 HD3 PRO A 110 12.445 -31.890 -14.398 1.00 0.00 H new ATOM 1654 N SER A 111 15.023 -27.478 -16.150 1.00 0.00 N ATOM 1655 CA SER A 111 15.074 -26.324 -17.039 1.00 0.00 C ATOM 1656 C SER A 111 16.394 -26.285 -17.804 1.00 0.00 C ATOM 1657 O SER A 111 16.419 -26.043 -19.010 1.00 0.00 O ATOM 1658 CB SER A 111 14.896 -25.030 -16.242 1.00 0.00 C ATOM 1659 OG SER A 111 15.171 -25.237 -14.867 1.00 0.00 O ATOM 0 H SER A 111 15.936 -27.834 -15.868 1.00 0.00 H new ATOM 0 HA SER A 111 14.259 -26.415 -17.758 1.00 0.00 H new ATOM 0 HB2 SER A 111 15.560 -24.261 -16.637 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.877 -24.663 -16.361 1.00 0.00 H new ATOM 0 HG SER A 111 15.052 -24.395 -14.379 1.00 0.00 H new ATOM 1665 N SER A 112 17.490 -26.527 -17.092 1.00 0.00 N ATOM 1666 CA SER A 112 18.815 -26.517 -17.701 1.00 0.00 C ATOM 1667 C SER A 112 18.941 -27.622 -18.745 1.00 0.00 C ATOM 1668 O SER A 112 18.467 -28.739 -18.544 1.00 0.00 O ATOM 1669 CB SER A 112 19.894 -26.687 -16.629 1.00 0.00 C ATOM 1670 OG SER A 112 20.349 -25.430 -16.160 1.00 0.00 O ATOM 0 H SER A 112 17.487 -26.732 -16.093 1.00 0.00 H new ATOM 0 HA SER A 112 18.953 -25.556 -18.196 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.496 -27.267 -15.796 1.00 0.00 H new ATOM 0 HB3 SER A 112 20.732 -27.251 -17.038 1.00 0.00 H new ATOM 0 HG SER A 112 21.036 -25.566 -15.475 1.00 0.00 H new ATOM 1676 N GLY A 113 19.586 -27.301 -19.863 1.00 0.00 N ATOM 1677 CA GLY A 113 19.763 -28.275 -20.923 1.00 0.00 C ATOM 1678 C GLY A 113 21.168 -28.263 -21.493 1.00 0.00 C ATOM 1679 O GLY A 113 21.935 -29.204 -21.292 1.00 0.00 O ATOM 0 H GLY A 113 19.989 -26.383 -20.053 1.00 0.00 H new ATOM 0 HA2 GLY A 113 19.539 -29.270 -20.539 1.00 0.00 H new ATOM 0 HA3 GLY A 113 19.049 -28.073 -21.721 1.00 0.00 H new TER 1683 GLY A 113