USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 339 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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 28 MET CE :methyl -155:sc= -0.0352 (180deg=-0.484) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 17 SER OG : rot 76:sc= 1.04 USER MOD Single : A 19 THR OG1 : rot 90:sc= -0.821! USER MOD Single : A 21 MET CE :methyl 166:sc=-0.00763 (180deg=-0.242) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.36 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 71:sc= 0.594 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 CA PRO A 6 16.540 2.492 78.519 1.00 0.00 C ATOM 2 C PRO A 6 15.457 2.668 77.468 1.00 0.00 C ATOM 3 O PRO A 6 15.387 1.913 76.501 1.00 0.00 O ATOM 5 N ALA A 7 14.613 3.675 77.675 1.00 0.00 N ATOM 6 CA ALA A 7 13.518 3.977 76.759 1.00 0.00 C ATOM 7 C ALA A 7 14.055 4.545 75.456 1.00 0.00 C ATOM 8 O ALA A 7 13.539 4.254 74.380 1.00 0.00 O ATOM 9 CB ALA A 7 12.576 4.998 77.378 1.00 0.00 C ATOM 0 H ALA A 7 14.668 4.301 78.478 1.00 0.00 H new ATOM 0 HA ALA A 7 12.981 3.049 76.563 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.765 5.213 76.683 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.164 4.598 78.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.124 5.916 77.591 1.00 0.00 H new ATOM 15 N LYS A 8 15.098 5.365 75.573 1.00 0.00 N ATOM 16 CA LYS A 8 15.731 5.992 74.416 1.00 0.00 C ATOM 17 C LYS A 8 16.071 4.950 73.364 1.00 0.00 C ATOM 18 O LYS A 8 15.828 5.148 72.176 1.00 0.00 O ATOM 19 CB LYS A 8 17.023 6.700 74.830 1.00 0.00 C ATOM 20 CG LYS A 8 17.717 7.437 73.697 1.00 0.00 C ATOM 21 CD LYS A 8 18.960 8.162 74.189 1.00 0.00 C ATOM 22 CE LYS A 8 19.662 8.887 73.053 1.00 0.00 C ATOM 23 NZ LYS A 8 20.875 9.612 73.522 1.00 0.00 N ATOM 0 H LYS A 8 15.525 5.612 76.466 1.00 0.00 H new ATOM 0 HA LYS A 8 15.027 6.716 74.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.797 7.410 75.626 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.711 5.964 75.245 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.992 6.730 72.915 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.028 8.154 73.251 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.684 8.877 74.964 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.644 7.447 74.645 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.944 8.169 72.283 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.972 9.594 72.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.325 10.093 72.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.604 10.315 74.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.545 8.934 73.939 1.00 0.00 H new ATOM 37 N ALA A 9 16.638 3.836 73.820 1.00 0.00 N ATOM 38 CA ALA A 9 17.026 2.740 72.937 1.00 0.00 C ATOM 39 C ALA A 9 15.796 2.000 72.436 1.00 0.00 C ATOM 40 O ALA A 9 15.768 1.516 71.307 1.00 0.00 O ATOM 41 CB ALA A 9 17.915 1.752 73.677 1.00 0.00 C ATOM 0 H ALA A 9 16.840 3.668 74.806 1.00 0.00 H new ATOM 0 HA ALA A 9 17.569 3.167 72.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.196 0.941 73.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.813 2.261 74.026 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.374 1.345 74.531 1.00 0.00 H new ATOM 47 N ALA A 10 14.781 1.924 73.292 1.00 0.00 N ATOM 48 CA ALA A 10 13.531 1.247 72.962 1.00 0.00 C ATOM 49 C ALA A 10 12.780 2.012 71.884 1.00 0.00 C ATOM 50 O ALA A 10 12.308 1.429 70.911 1.00 0.00 O ATOM 51 CB ALA A 10 12.641 1.148 74.192 1.00 0.00 C ATOM 0 H ALA A 10 14.801 2.327 74.229 1.00 0.00 H new ATOM 0 HA ALA A 10 13.777 0.248 72.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.713 0.641 73.929 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.156 0.583 74.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.416 2.149 74.560 1.00 0.00 H new ATOM 57 N PHE A 11 12.680 3.325 72.073 1.00 0.00 N ATOM 58 CA PHE A 11 11.991 4.199 71.129 1.00 0.00 C ATOM 59 C PHE A 11 12.826 4.388 69.873 1.00 0.00 C ATOM 60 O PHE A 11 12.305 4.356 68.759 1.00 0.00 O ATOM 61 CB PHE A 11 11.741 5.572 71.755 1.00 0.00 C ATOM 62 CG PHE A 11 10.997 6.521 70.858 1.00 0.00 C ATOM 63 CD1 PHE A 11 9.628 6.409 70.691 1.00 0.00 C ATOM 64 CD2 PHE A 11 11.667 7.525 70.182 1.00 0.00 C ATOM 65 CE1 PHE A 11 8.944 7.281 69.867 1.00 0.00 C ATOM 66 CE2 PHE A 11 10.983 8.398 69.357 1.00 0.00 C ATOM 67 CZ PHE A 11 9.627 8.279 69.198 1.00 0.00 C ATOM 0 H PHE A 11 13.072 3.810 72.880 1.00 0.00 H new ATOM 0 HA PHE A 11 11.040 3.730 70.874 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.177 5.443 72.679 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.698 6.017 72.025 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.088 5.631 71.211 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.736 7.628 70.300 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.875 7.183 69.745 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.519 9.177 68.836 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.095 8.962 68.553 1.00 0.00 H new ATOM 77 N ASP A 12 14.124 4.585 70.071 1.00 0.00 N ATOM 78 CA ASP A 12 15.062 4.783 68.968 1.00 0.00 C ATOM 79 C ASP A 12 15.296 3.478 68.226 1.00 0.00 C ATOM 80 O ASP A 12 15.412 3.460 67.003 1.00 0.00 O ATOM 81 CB ASP A 12 16.408 5.288 69.493 1.00 0.00 C ATOM 82 CG ASP A 12 17.345 5.712 68.380 1.00 0.00 C ATOM 83 OD1 ASP A 12 16.953 6.579 67.571 1.00 0.00 O ATOM 84 OD2 ASP A 12 18.472 5.177 68.316 1.00 0.00 O ATOM 0 H ASP A 12 14.556 4.612 70.995 1.00 0.00 H new ATOM 0 HA ASP A 12 14.628 5.520 68.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.239 6.132 70.162 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.882 4.503 70.083 1.00 0.00 H new ATOM 90 N SER A 13 15.362 2.387 68.986 1.00 0.00 N ATOM 91 CA SER A 13 15.581 1.058 68.427 1.00 0.00 C ATOM 92 C SER A 13 14.409 0.649 67.549 1.00 0.00 C ATOM 93 O SER A 13 14.594 0.137 66.447 1.00 0.00 O ATOM 94 CB SER A 13 15.731 0.024 69.545 1.00 0.00 C ATOM 95 OG SER A 13 15.944 -1.272 69.016 1.00 0.00 O ATOM 0 H SER A 13 15.266 2.400 70.001 1.00 0.00 H new ATOM 0 HA SER A 13 16.494 1.095 67.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.566 0.299 70.189 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.836 0.024 70.167 1.00 0.00 H new ATOM 0 HG SER A 13 16.038 -1.914 69.751 1.00 0.00 H new ATOM 101 N LEU A 14 13.201 0.888 68.054 1.00 0.00 N ATOM 102 CA LEU A 14 11.975 0.555 67.335 1.00 0.00 C ATOM 103 C LEU A 14 11.856 1.388 66.070 1.00 0.00 C ATOM 104 O LEU A 14 11.576 0.866 64.994 1.00 0.00 O ATOM 105 CB LEU A 14 10.750 0.828 68.210 1.00 0.00 C ATOM 106 CG LEU A 14 9.389 0.499 67.593 1.00 0.00 C ATOM 107 CD1 LEU A 14 9.274 -0.991 67.307 1.00 0.00 C ATOM 108 CD2 LEU A 14 8.262 0.890 68.536 1.00 0.00 C ATOM 0 H LEU A 14 13.045 1.315 68.967 1.00 0.00 H new ATOM 0 HA LEU A 14 12.018 -0.503 67.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.854 0.257 69.133 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.755 1.883 68.486 1.00 0.00 H new ATOM 0 HG LEU A 14 9.308 1.063 66.664 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.299 -1.203 66.869 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.058 -1.289 66.610 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.383 -1.549 68.237 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.303 0.647 68.078 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.365 0.343 69.473 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.309 1.961 68.734 1.00 0.00 H new ATOM 120 N GLN A 15 12.075 2.693 66.219 1.00 0.00 N ATOM 121 CA GLN A 15 11.997 3.630 65.101 1.00 0.00 C ATOM 122 C GLN A 15 12.912 3.186 63.971 1.00 0.00 C ATOM 123 O GLN A 15 12.551 3.260 62.799 1.00 0.00 O ATOM 124 CB GLN A 15 12.421 5.031 65.546 1.00 0.00 C ATOM 125 CG GLN A 15 12.291 6.091 64.464 1.00 0.00 C ATOM 126 CD GLN A 15 12.658 7.477 64.959 1.00 0.00 C ATOM 127 OE1 GLN A 15 13.029 7.653 66.120 1.00 0.00 O ATOM 128 NE2 GLN A 15 12.554 8.465 64.079 1.00 0.00 N ATOM 0 H GLN A 15 12.310 3.128 67.111 1.00 0.00 H new ATOM 0 HA GLN A 15 10.964 3.650 64.754 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.817 5.327 66.404 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.457 4.996 65.883 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.933 5.828 63.623 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.267 6.101 64.092 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.242 8.270 63.128 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.786 9.419 64.354 1.00 0.00 H new ATOM 137 N ALA A 16 14.103 2.722 64.345 1.00 0.00 N ATOM 138 CA ALA A 16 15.096 2.257 63.380 1.00 0.00 C ATOM 139 C ALA A 16 14.677 0.922 62.787 1.00 0.00 C ATOM 140 O ALA A 16 14.697 0.737 61.572 1.00 0.00 O ATOM 141 CB ALA A 16 16.449 2.082 64.053 1.00 0.00 C ATOM 0 H ALA A 16 14.405 2.658 65.317 1.00 0.00 H new ATOM 0 HA ALA A 16 15.169 3.005 62.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.178 1.735 63.320 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.776 3.036 64.466 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.364 1.349 64.855 1.00 0.00 H new ATOM 147 N SER A 17 14.300 -0.003 63.664 1.00 0.00 N ATOM 148 CA SER A 17 13.868 -1.337 63.255 1.00 0.00 C ATOM 149 C SER A 17 12.708 -1.244 62.278 1.00 0.00 C ATOM 150 O SER A 17 12.762 -1.799 61.182 1.00 0.00 O ATOM 151 CB SER A 17 13.414 -2.149 64.470 1.00 0.00 C ATOM 152 OG SER A 17 14.498 -2.408 65.345 1.00 0.00 O ATOM 0 H SER A 17 14.285 0.148 64.673 1.00 0.00 H new ATOM 0 HA SER A 17 14.715 -1.829 62.777 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.634 -1.606 65.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.977 -3.091 64.139 1.00 0.00 H new ATOM 0 HG SER A 17 14.708 -1.598 65.855 1.00 0.00 H new ATOM 158 N ALA A 18 11.661 -0.536 62.691 1.00 0.00 N ATOM 159 CA ALA A 18 10.470 -0.352 61.870 1.00 0.00 C ATOM 160 C ALA A 18 10.773 0.549 60.684 1.00 0.00 C ATOM 161 O ALA A 18 10.168 0.419 59.622 1.00 0.00 O ATOM 162 CB ALA A 18 9.356 0.286 62.687 1.00 0.00 C ATOM 0 H ALA A 18 11.615 -0.076 63.600 1.00 0.00 H new ATOM 0 HA ALA A 18 10.155 -1.334 61.516 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.474 0.417 62.060 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.109 -0.358 63.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.686 1.257 63.056 1.00 0.00 H new ATOM 168 N THR A 19 11.720 1.463 60.883 1.00 0.00 N ATOM 169 CA THR A 19 12.128 2.403 59.844 1.00 0.00 C ATOM 170 C THR A 19 12.972 1.701 58.792 1.00 0.00 C ATOM 171 O THR A 19 12.691 1.787 57.598 1.00 0.00 O ATOM 172 CB THR A 19 12.962 3.560 60.425 1.00 0.00 C ATOM 173 OG1 THR A 19 12.174 4.293 61.371 1.00 0.00 O ATOM 174 CG2 THR A 19 13.408 4.503 59.319 1.00 0.00 C ATOM 0 H THR A 19 12.223 1.572 61.764 1.00 0.00 H new ATOM 0 HA THR A 19 11.215 2.799 59.400 1.00 0.00 H new ATOM 0 HB THR A 19 13.841 3.141 60.915 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.284 3.900 62.262 1.00 0.00 H new ATOM 0 HG21 THR A 19 13.996 5.314 59.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 14.016 3.956 58.598 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.533 4.915 58.817 1.00 0.00 H new ATOM 182 N GLU A 20 14.007 1.006 59.256 1.00 0.00 N ATOM 183 CA GLU A 20 14.913 0.274 58.375 1.00 0.00 C ATOM 184 C GLU A 20 14.165 -0.816 57.627 1.00 0.00 C ATOM 185 O GLU A 20 14.374 -1.019 56.434 1.00 0.00 O ATOM 186 CB GLU A 20 16.036 -0.379 59.184 1.00 0.00 C ATOM 187 CG GLU A 20 17.023 0.608 59.784 1.00 0.00 C ATOM 188 CD GLU A 20 18.090 -0.070 60.621 1.00 0.00 C ATOM 189 OE1 GLU A 20 18.026 -1.308 60.774 1.00 0.00 O ATOM 190 OE2 GLU A 20 18.989 0.636 61.124 1.00 0.00 O ATOM 0 H GLU A 20 14.241 0.934 60.246 1.00 0.00 H new ATOM 0 HA GLU A 20 15.333 0.987 57.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 15.595 -0.969 59.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 16.578 -1.072 58.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.499 1.172 58.982 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.483 1.326 60.402 1.00 0.00 H new ATOM 198 N MET A 21 13.290 -1.512 58.349 1.00 0.00 N ATOM 199 CA MET A 21 12.492 -2.591 57.777 1.00 0.00 C ATOM 200 C MET A 21 11.542 -2.051 56.721 1.00 0.00 C ATOM 201 O MET A 21 11.308 -2.690 55.697 1.00 0.00 O ATOM 202 CB MET A 21 11.664 -3.279 58.864 1.00 0.00 C ATOM 203 CG MET A 21 10.863 -4.474 58.371 1.00 0.00 C ATOM 204 SD MET A 21 9.927 -5.275 59.688 1.00 0.00 S ATOM 205 CE MET A 21 8.668 -4.042 60.007 1.00 0.00 C ATOM 0 H MET A 21 13.116 -1.345 59.340 1.00 0.00 H new ATOM 0 HA MET A 21 13.179 -3.307 57.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.331 -3.606 59.661 1.00 0.00 H new ATOM 0 HB3 MET A 21 10.980 -2.551 59.300 1.00 0.00 H new ATOM 0 HG2 MET A 21 10.177 -4.149 57.589 1.00 0.00 H new ATOM 0 HG3 MET A 21 11.540 -5.199 57.919 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.873 -4.481 60.610 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.109 -3.202 60.544 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.255 -3.691 59.061 1.00 0.00 H new ATOM 215 N ILE A 22 11.000 -0.866 56.988 1.00 0.00 N ATOM 216 CA ILE A 22 10.067 -0.211 56.075 1.00 0.00 C ATOM 217 C ILE A 22 10.708 -0.016 54.711 1.00 0.00 C ATOM 218 O ILE A 22 10.032 -0.057 53.685 1.00 0.00 O ATOM 219 CB ILE A 22 9.640 1.172 56.601 1.00 0.00 C ATOM 220 CG1 ILE A 22 8.414 1.677 55.838 1.00 0.00 C ATOM 221 CG2 ILE A 22 10.766 2.180 56.424 1.00 0.00 C ATOM 222 CD1 ILE A 22 7.747 2.875 56.479 1.00 0.00 C ATOM 0 H ILE A 22 11.193 -0.335 57.837 1.00 0.00 H new ATOM 0 HA ILE A 22 9.192 -0.856 55.998 1.00 0.00 H new ATOM 0 HB ILE A 22 9.401 1.067 57.659 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.712 1.939 54.823 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.688 0.868 55.759 1.00 0.00 H new ATOM 0 HG21 ILE A 22 10.447 3.152 56.801 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.644 1.846 56.978 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.015 2.265 55.366 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.886 3.175 55.881 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.417 2.613 57.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.457 3.701 56.534 1.00 0.00 H new ATOM 234 N GLY A 23 12.021 0.197 54.717 1.00 0.00 N ATOM 235 CA GLY A 23 12.784 0.404 53.490 1.00 0.00 C ATOM 236 C GLY A 23 12.902 -0.897 52.711 1.00 0.00 C ATOM 237 O GLY A 23 12.938 -0.895 51.483 1.00 0.00 O ATOM 0 H GLY A 23 12.583 0.231 55.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.297 1.160 52.875 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.778 0.782 53.732 1.00 0.00 H new ATOM 241 N TYR A 24 12.963 -2.002 53.446 1.00 0.00 N ATOM 242 CA TYR A 24 13.078 -3.331 52.850 1.00 0.00 C ATOM 243 C TYR A 24 11.828 -3.668 52.054 1.00 0.00 C ATOM 244 O TYR A 24 11.910 -4.145 50.924 1.00 0.00 O ATOM 245 CB TYR A 24 13.259 -4.392 53.937 1.00 0.00 C ATOM 246 CG TYR A 24 13.372 -5.802 53.404 1.00 0.00 C ATOM 247 CD1 TYR A 24 14.559 -6.258 52.843 1.00 0.00 C ATOM 248 CD2 TYR A 24 12.292 -6.674 53.464 1.00 0.00 C ATOM 249 CE1 TYR A 24 14.671 -7.545 52.354 1.00 0.00 C ATOM 250 CE2 TYR A 24 12.387 -7.965 52.979 1.00 0.00 C ATOM 251 CZ TYR A 24 13.589 -8.396 52.421 1.00 0.00 C ATOM 252 OH TYR A 24 13.699 -9.678 51.934 1.00 0.00 O ATOM 0 H TYR A 24 12.934 -2.004 54.466 1.00 0.00 H new ATOM 0 HA TYR A 24 13.946 -3.325 52.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 14.155 -4.159 54.513 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.415 -4.341 54.625 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.409 -5.594 52.788 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.362 -6.337 53.897 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.601 -7.883 51.922 1.00 0.00 H new ATOM 0 HE2 TYR A 24 11.539 -8.632 53.032 1.00 0.00 H new ATOM 0 HH TYR A 24 12.848 -10.149 52.057 1.00 0.00 H new ATOM 262 N ALA A 25 10.672 -3.410 52.660 1.00 0.00 N ATOM 263 CA ALA A 25 9.383 -3.676 52.029 1.00 0.00 C ATOM 264 C ALA A 25 9.249 -2.887 50.737 1.00 0.00 C ATOM 265 O ALA A 25 8.885 -3.434 49.699 1.00 0.00 O ATOM 266 CB ALA A 25 8.246 -3.277 52.957 1.00 0.00 C ATOM 0 H ALA A 25 10.602 -3.013 53.597 1.00 0.00 H new ATOM 0 HA ALA A 25 9.331 -4.744 51.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.292 -3.482 52.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.313 -3.850 53.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.317 -2.213 53.183 1.00 0.00 H new ATOM 272 N TRP A 26 9.551 -1.594 50.820 1.00 0.00 N ATOM 273 CA TRP A 26 9.473 -0.701 49.668 1.00 0.00 C ATOM 274 C TRP A 26 10.448 -1.140 48.587 1.00 0.00 C ATOM 275 O TRP A 26 10.113 -1.154 47.404 1.00 0.00 O ATOM 276 CB TRP A 26 9.818 0.732 50.077 1.00 0.00 C ATOM 277 CG TRP A 26 9.750 1.712 48.945 1.00 0.00 C ATOM 278 CD1 TRP A 26 10.803 2.267 48.277 1.00 0.00 C ATOM 279 CD2 TRP A 26 8.565 2.253 48.349 1.00 0.00 C ATOM 280 NE1 TRP A 26 10.349 3.120 47.301 1.00 0.00 N ATOM 281 CE2 TRP A 26 8.976 3.129 47.325 1.00 0.00 C ATOM 282 CE3 TRP A 26 7.196 2.083 48.579 1.00 0.00 C ATOM 283 CZ2 TRP A 26 8.069 3.832 46.533 1.00 0.00 C ATOM 284 CZ3 TRP A 26 6.301 2.782 47.793 1.00 0.00 C ATOM 285 CH2 TRP A 26 6.737 3.645 46.782 1.00 0.00 C ATOM 0 H TRP A 26 9.854 -1.139 51.681 1.00 0.00 H new ATOM 0 HA TRP A 26 8.453 -0.741 49.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 9.135 1.051 50.864 1.00 0.00 H new ATOM 0 HB3 TRP A 26 10.822 0.748 50.501 1.00 0.00 H new ATOM 0 HD1 TRP A 26 11.843 2.065 48.486 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.935 3.658 46.663 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.846 1.419 49.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.405 4.499 45.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.241 2.660 47.963 1.00 0.00 H new ATOM 0 HH2 TRP A 26 6.008 4.174 46.186 1.00 0.00 H new ATOM 296 N ALA A 27 11.656 -1.498 49.012 1.00 0.00 N ATOM 297 CA ALA A 27 12.703 -1.945 48.099 1.00 0.00 C ATOM 298 C ALA A 27 12.323 -3.273 47.463 1.00 0.00 C ATOM 299 O ALA A 27 12.453 -3.454 46.255 1.00 0.00 O ATOM 300 CB ALA A 27 14.016 -2.126 48.846 1.00 0.00 C ATOM 0 H ALA A 27 11.936 -1.487 49.993 1.00 0.00 H new ATOM 0 HA ALA A 27 12.819 -1.186 47.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.787 -2.460 48.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.315 -1.177 49.291 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.888 -2.871 49.631 1.00 0.00 H new ATOM 306 N MET A 28 11.856 -4.198 48.297 1.00 0.00 N ATOM 307 CA MET A 28 11.447 -5.524 47.843 1.00 0.00 C ATOM 308 C MET A 28 10.183 -5.434 47.003 1.00 0.00 C ATOM 309 O MET A 28 10.115 -5.982 45.906 1.00 0.00 O ATOM 310 CB MET A 28 11.168 -6.437 49.038 1.00 0.00 C ATOM 311 CG MET A 28 12.408 -6.814 49.834 1.00 0.00 C ATOM 312 SD MET A 28 13.612 -7.730 48.854 1.00 0.00 S ATOM 313 CE MET A 28 12.734 -9.269 48.591 1.00 0.00 C ATOM 0 H MET A 28 11.751 -4.051 49.301 1.00 0.00 H new ATOM 0 HA MET A 28 12.260 -5.935 47.245 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.460 -5.942 49.702 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.687 -7.348 48.681 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.875 -5.909 50.222 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.114 -7.415 50.695 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.451 -10.071 48.412 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.139 -9.504 49.474 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.077 -9.170 47.727 1.00 0.00 H new ATOM 323 N VAL A 29 9.187 -4.732 47.538 1.00 0.00 N ATOM 324 CA VAL A 29 7.909 -4.550 46.858 1.00 0.00 C ATOM 325 C VAL A 29 8.098 -3.772 45.566 1.00 0.00 C ATOM 326 O VAL A 29 7.608 -4.173 44.512 1.00 0.00 O ATOM 327 CB VAL A 29 6.909 -3.774 47.735 1.00 0.00 C ATOM 328 CG1 VAL A 29 5.665 -3.417 46.935 1.00 0.00 C ATOM 329 CG2 VAL A 29 6.487 -4.613 48.931 1.00 0.00 C ATOM 0 H VAL A 29 9.243 -4.276 48.449 1.00 0.00 H new ATOM 0 HA VAL A 29 7.517 -5.546 46.651 1.00 0.00 H new ATOM 0 HB VAL A 29 7.403 -2.864 48.077 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.969 -2.869 47.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.945 -2.796 46.084 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.188 -4.330 46.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.780 -4.049 49.540 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.014 -5.531 48.583 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.364 -4.861 49.529 1.00 0.00 H new ATOM 339 N VAL A 30 8.815 -2.657 45.666 1.00 0.00 N ATOM 340 CA VAL A 30 9.087 -1.800 44.518 1.00 0.00 C ATOM 341 C VAL A 30 9.778 -2.586 43.416 1.00 0.00 C ATOM 342 O VAL A 30 9.458 -2.439 42.239 1.00 0.00 O ATOM 343 CB VAL A 30 9.999 -0.619 44.899 1.00 0.00 C ATOM 344 CG1 VAL A 30 10.438 0.138 43.655 1.00 0.00 C ATOM 345 CG2 VAL A 30 9.265 0.347 45.815 1.00 0.00 C ATOM 0 H VAL A 30 9.222 -2.324 46.540 1.00 0.00 H new ATOM 0 HA VAL A 30 8.125 -1.422 44.172 1.00 0.00 H new ATOM 0 HB VAL A 30 10.871 -1.025 45.412 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.082 0.969 43.943 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.986 -0.534 42.995 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.561 0.522 43.134 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.925 1.175 46.074 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.382 0.732 45.305 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.961 -0.173 46.724 1.00 0.00 H new ATOM 355 N VAL A 31 10.731 -3.423 43.820 1.00 0.00 N ATOM 356 CA VAL A 31 11.489 -4.251 42.886 1.00 0.00 C ATOM 357 C VAL A 31 10.631 -5.393 42.367 1.00 0.00 C ATOM 358 O VAL A 31 10.580 -5.650 41.167 1.00 0.00 O ATOM 359 CB VAL A 31 12.734 -4.862 43.556 1.00 0.00 C ATOM 360 CG1 VAL A 31 13.403 -5.862 42.625 1.00 0.00 C ATOM 361 CG2 VAL A 31 13.742 -3.776 43.898 1.00 0.00 C ATOM 0 H VAL A 31 10.998 -3.546 44.797 1.00 0.00 H new ATOM 0 HA VAL A 31 11.797 -3.601 42.067 1.00 0.00 H new ATOM 0 HB VAL A 31 12.408 -5.364 44.467 1.00 0.00 H new ATOM 0 HG11 VAL A 31 14.281 -6.284 43.114 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.702 -6.661 42.385 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.706 -5.358 41.707 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.615 -4.226 44.371 1.00 0.00 H new ATOM 0 HG22 VAL A 31 14.047 -3.263 42.986 1.00 0.00 H new ATOM 0 HG23 VAL A 31 13.287 -3.060 44.583 1.00 0.00 H new ATOM 371 N ILE A 32 9.956 -6.071 43.292 1.00 0.00 N ATOM 372 CA ILE A 32 9.088 -7.195 42.957 1.00 0.00 C ATOM 373 C ILE A 32 7.951 -6.739 42.055 1.00 0.00 C ATOM 374 O ILE A 32 7.710 -7.322 41.001 1.00 0.00 O ATOM 375 CB ILE A 32 8.469 -7.825 44.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 9.551 -8.499 45.065 1.00 0.00 C ATOM 377 CG2 ILE A 32 7.434 -8.873 43.837 1.00 0.00 C ATOM 378 CD1 ILE A 32 9.075 -8.927 46.435 1.00 0.00 C ATOM 0 H ILE A 32 9.995 -5.858 44.289 1.00 0.00 H new ATOM 0 HA ILE A 32 9.708 -7.933 42.448 1.00 0.00 H new ATOM 0 HB ILE A 32 7.994 -7.028 44.790 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.925 -9.373 44.531 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.390 -7.812 45.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.007 -9.308 44.741 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.643 -8.407 43.250 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.910 -9.657 43.247 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.897 -9.396 46.976 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.728 -8.055 46.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.257 -9.639 46.330 1.00 0.00 H new ATOM 390 N VAL A 33 7.260 -5.686 42.487 1.00 0.00 N ATOM 391 CA VAL A 33 6.140 -5.127 41.737 1.00 0.00 C ATOM 392 C VAL A 33 6.645 -4.342 40.535 1.00 0.00 C ATOM 393 O VAL A 33 6.156 -4.514 39.421 1.00 0.00 O ATOM 394 CB VAL A 33 5.298 -4.174 42.606 1.00 0.00 C ATOM 395 CG1 VAL A 33 4.253 -3.465 41.759 1.00 0.00 C ATOM 396 CG2 VAL A 33 4.584 -4.947 43.704 1.00 0.00 C ATOM 0 H VAL A 33 7.460 -5.200 43.361 1.00 0.00 H new ATOM 0 HA VAL A 33 5.523 -5.966 41.415 1.00 0.00 H new ATOM 0 HB VAL A 33 5.974 -3.442 43.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.667 -2.796 42.389 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.748 -2.888 40.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.594 -4.203 41.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.994 -4.259 44.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.926 -5.692 43.256 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.320 -5.445 44.335 1.00 0.00 H new ATOM 406 N GLY A 34 7.626 -3.484 40.782 1.00 0.00 N ATOM 407 CA GLY A 34 8.219 -2.654 39.735 1.00 0.00 C ATOM 408 C GLY A 34 9.128 -3.487 38.847 1.00 0.00 C ATOM 409 O GLY A 34 8.989 -3.487 37.626 1.00 0.00 O ATOM 0 H GLY A 34 8.033 -3.342 41.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.432 -2.198 39.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.787 -1.840 40.186 1.00 0.00 H new ATOM 413 N ALA A 35 10.056 -4.197 39.480 1.00 0.00 N ATOM 414 CA ALA A 35 11.007 -5.049 38.770 1.00 0.00 C ATOM 415 C ALA A 35 10.305 -6.273 38.203 1.00 0.00 C ATOM 416 O ALA A 35 10.378 -6.545 37.007 1.00 0.00 O ATOM 417 CB ALA A 35 12.106 -5.517 39.712 1.00 0.00 C ATOM 0 H ALA A 35 10.171 -4.199 40.493 1.00 0.00 H new ATOM 0 HA ALA A 35 11.439 -4.463 37.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.806 -6.151 39.168 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.635 -4.652 40.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.665 -6.084 40.532 1.00 0.00 H new ATOM 423 N THR A 36 9.624 -7.004 39.082 1.00 0.00 N ATOM 424 CA THR A 36 8.895 -8.210 38.697 1.00 0.00 C ATOM 425 C THR A 36 7.771 -7.866 37.734 1.00 0.00 C ATOM 426 O THR A 36 7.688 -8.420 36.640 1.00 0.00 O ATOM 427 CB THR A 36 8.274 -8.909 39.921 1.00 0.00 C ATOM 428 OG1 THR A 36 9.312 -9.316 40.820 1.00 0.00 O ATOM 429 CG2 THR A 36 7.486 -10.137 39.490 1.00 0.00 C ATOM 0 H THR A 36 9.562 -6.779 40.075 1.00 0.00 H new ATOM 0 HA THR A 36 9.614 -8.878 38.223 1.00 0.00 H new ATOM 0 HB THR A 36 7.603 -8.208 40.416 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.028 -10.119 41.305 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.054 -10.619 40.367 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.688 -9.837 38.811 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.151 -10.836 38.983 1.00 0.00 H new ATOM 437 N ILE A 37 6.911 -6.945 38.158 1.00 0.00 N ATOM 438 CA ILE A 37 5.777 -6.505 37.351 1.00 0.00 C ATOM 439 C ILE A 37 6.249 -5.615 36.212 1.00 0.00 C ATOM 440 O ILE A 37 5.716 -5.672 35.105 1.00 0.00 O ATOM 441 CB ILE A 37 4.764 -5.704 38.190 1.00 0.00 C ATOM 442 CG1 ILE A 37 4.099 -6.609 39.229 1.00 0.00 C ATOM 443 CG2 ILE A 37 3.681 -5.116 37.299 1.00 0.00 C ATOM 444 CD1 ILE A 37 3.276 -5.859 40.254 1.00 0.00 C ATOM 0 H ILE A 37 6.979 -6.485 39.066 1.00 0.00 H new ATOM 0 HA ILE A 37 5.297 -7.403 36.962 1.00 0.00 H new ATOM 0 HB ILE A 37 5.306 -4.901 38.690 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.458 -7.326 38.716 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.870 -7.182 39.744 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.974 -4.553 37.909 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.135 -4.452 36.564 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.156 -5.921 36.785 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.836 -6.567 40.956 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.916 -5.162 40.795 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.482 -5.307 39.750 1.00 0.00 H new ATOM 456 N GLY A 38 7.254 -4.793 36.502 1.00 0.00 N ATOM 457 CA GLY A 38 7.820 -3.877 35.517 1.00 0.00 C ATOM 458 C GLY A 38 8.539 -4.647 34.422 1.00 0.00 C ATOM 459 O GLY A 38 8.350 -4.384 33.236 1.00 0.00 O ATOM 0 H GLY A 38 7.696 -4.743 37.420 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.028 -3.268 35.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.515 -3.194 36.005 1.00 0.00 H new ATOM 463 N ILE A 39 9.365 -5.603 34.839 1.00 0.00 N ATOM 464 CA ILE A 39 10.129 -6.433 33.913 1.00 0.00 C ATOM 465 C ILE A 39 9.197 -7.185 32.976 1.00 0.00 C ATOM 466 O ILE A 39 9.448 -7.277 31.777 1.00 0.00 O ATOM 467 CB ILE A 39 10.986 -7.471 34.661 1.00 0.00 C ATOM 468 CG1 ILE A 39 12.095 -6.777 35.453 1.00 0.00 C ATOM 469 CG2 ILE A 39 11.628 -8.439 33.679 1.00 0.00 C ATOM 470 CD1 ILE A 39 13.052 -5.980 34.594 1.00 0.00 C ATOM 0 H ILE A 39 9.523 -5.823 35.822 1.00 0.00 H new ATOM 0 HA ILE A 39 10.777 -5.762 33.349 1.00 0.00 H new ATOM 0 HB ILE A 39 10.331 -8.016 35.341 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.642 -6.112 36.188 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.658 -7.528 36.007 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.230 -9.165 34.225 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.850 -8.959 33.120 1.00 0.00 H new ATOM 0 HG23 ILE A 39 12.265 -7.887 32.987 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.810 -5.518 35.226 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.534 -6.643 33.876 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.502 -5.205 34.060 1.00 0.00 H new ATOM 482 N LYS A 40 8.118 -7.716 33.545 1.00 0.00 N ATOM 483 CA LYS A 40 7.126 -8.466 32.782 1.00 0.00 C ATOM 484 C LYS A 40 6.579 -7.622 31.643 1.00 0.00 C ATOM 485 O LYS A 40 6.454 -8.091 30.514 1.00 0.00 O ATOM 486 CB LYS A 40 5.959 -8.879 33.681 1.00 0.00 C ATOM 487 CG LYS A 40 4.898 -9.711 32.978 1.00 0.00 C ATOM 488 CD LYS A 40 3.800 -10.132 33.940 1.00 0.00 C ATOM 489 CE LYS A 40 2.732 -10.951 33.234 1.00 0.00 C ATOM 490 NZ LYS A 40 1.654 -11.382 34.168 1.00 0.00 N ATOM 0 H LYS A 40 7.908 -7.639 34.540 1.00 0.00 H new ATOM 0 HA LYS A 40 7.617 -9.353 32.382 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.349 -9.446 34.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.492 -7.982 34.087 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.466 -9.136 32.159 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.359 -10.596 32.539 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.230 -10.716 34.754 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.347 -9.248 34.387 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.298 -10.362 32.426 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.190 -11.829 32.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.946 -11.938 33.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.064 -11.965 34.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.199 -10.544 34.584 1.00 0.00 H new ATOM 504 N LEU A 41 6.255 -6.373 31.958 1.00 0.00 N ATOM 505 CA LEU A 41 5.714 -5.434 30.978 1.00 0.00 C ATOM 506 C LEU A 41 6.645 -5.325 29.780 1.00 0.00 C ATOM 507 O LEU A 41 6.198 -5.141 28.650 1.00 0.00 O ATOM 508 CB LEU A 41 5.556 -4.044 31.598 1.00 0.00 C ATOM 509 CG LEU A 41 4.847 -2.995 30.739 1.00 0.00 C ATOM 510 CD1 LEU A 41 3.409 -3.407 30.465 1.00 0.00 C ATOM 511 CD2 LEU A 41 4.829 -1.647 31.442 1.00 0.00 C ATOM 0 H LEU A 41 6.359 -5.983 32.895 1.00 0.00 H new ATOM 0 HA LEU A 41 4.741 -5.807 30.659 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.007 -4.147 32.534 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.547 -3.667 31.850 1.00 0.00 H new ATOM 0 HG LEU A 41 5.396 -2.917 29.801 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.923 -2.647 29.853 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.398 -4.360 29.937 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.874 -3.509 31.409 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.320 -0.916 30.814 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.302 -1.739 32.392 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.852 -1.319 31.625 1.00 0.00 H new ATOM 523 N PHE A 42 7.943 -5.441 30.046 1.00 0.00 N ATOM 524 CA PHE A 42 8.963 -5.360 29.005 1.00 0.00 C ATOM 525 C PHE A 42 8.778 -6.476 27.991 1.00 0.00 C ATOM 526 O PHE A 42 8.856 -6.251 26.785 1.00 0.00 O ATOM 527 CB PHE A 42 10.361 -5.487 29.614 1.00 0.00 C ATOM 528 CG PHE A 42 10.816 -4.258 30.348 1.00 0.00 C ATOM 529 CD1 PHE A 42 10.147 -3.056 30.197 1.00 0.00 C ATOM 530 CD2 PHE A 42 11.912 -4.304 31.192 1.00 0.00 C ATOM 531 CE1 PHE A 42 10.565 -1.925 30.873 1.00 0.00 C ATOM 532 CE2 PHE A 42 12.330 -3.174 31.868 1.00 0.00 C ATOM 533 CZ PHE A 42 11.662 -1.988 31.711 1.00 0.00 C ATOM 0 H PHE A 42 8.316 -5.593 30.983 1.00 0.00 H new ATOM 0 HA PHE A 42 8.860 -4.393 28.513 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.373 -6.334 30.300 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.074 -5.710 28.820 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.289 -3.001 29.544 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.446 -5.233 31.324 1.00 0.00 H new ATOM 0 HE1 PHE A 42 10.035 -0.993 30.746 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.187 -3.226 32.523 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.991 -1.106 32.240 1.00 0.00 H new ATOM 543 N LYS A 43 8.533 -7.681 28.498 1.00 0.00 N ATOM 544 CA LYS A 43 8.330 -8.856 27.656 1.00 0.00 C ATOM 545 C LYS A 43 6.999 -8.769 26.928 1.00 0.00 C ATOM 546 O LYS A 43 6.909 -9.067 25.740 1.00 0.00 O ATOM 547 CB LYS A 43 8.333 -10.130 28.504 1.00 0.00 C ATOM 548 CG LYS A 43 9.695 -10.493 29.072 1.00 0.00 C ATOM 549 CD LYS A 43 9.629 -11.773 29.889 1.00 0.00 C ATOM 550 CE LYS A 43 10.991 -12.136 30.458 1.00 0.00 C ATOM 551 NZ LYS A 43 10.938 -13.381 31.273 1.00 0.00 N ATOM 0 H LYS A 43 8.470 -7.870 29.498 1.00 0.00 H new ATOM 0 HA LYS A 43 9.145 -8.889 26.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.629 -10.008 29.327 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.972 -10.959 27.896 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.410 -10.615 28.258 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.060 -9.678 29.697 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.913 -11.651 30.702 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.265 -12.588 29.263 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.702 -12.266 29.642 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.358 -11.315 31.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.886 -13.594 31.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.279 -13.249 32.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.612 -14.171 30.680 1.00 0.00 H new ATOM 565 N LYS A 44 5.969 -8.354 27.662 1.00 0.00 N ATOM 566 CA LYS A 44 4.626 -8.217 27.112 1.00 0.00 C ATOM 567 C LYS A 44 4.538 -6.987 26.221 1.00 0.00 C ATOM 568 O LYS A 44 3.989 -7.041 25.123 1.00 0.00 O ATOM 569 CB LYS A 44 3.598 -8.074 28.237 1.00 0.00 C ATOM 570 CG LYS A 44 3.375 -9.346 29.039 1.00 0.00 C ATOM 571 CD LYS A 44 2.754 -10.437 28.182 1.00 0.00 C ATOM 572 CE LYS A 44 2.488 -11.693 28.996 1.00 0.00 C ATOM 573 NZ LYS A 44 1.915 -12.784 28.161 1.00 0.00 N ATOM 0 H LYS A 44 6.043 -8.105 28.648 1.00 0.00 H new ATOM 0 HA LYS A 44 4.413 -9.113 26.528 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.923 -7.283 28.913 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.648 -7.756 27.808 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.325 -9.695 29.443 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.726 -9.134 29.888 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.821 -10.076 27.750 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.419 -10.673 27.351 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.418 -12.034 29.451 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.801 -11.460 29.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.748 -13.623 28.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.015 -12.468 27.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.581 -13.025 27.399 1.00 0.00 H new ATOM 587 N PHE A 45 5.088 -5.882 26.713 1.00 0.00 N ATOM 588 CA PHE A 45 5.089 -4.619 25.981 1.00 0.00 C ATOM 589 C PHE A 45 6.106 -4.658 24.851 1.00 0.00 C ATOM 590 O PHE A 45 5.834 -4.207 23.741 1.00 0.00 O ATOM 591 CB PHE A 45 5.447 -3.460 26.913 1.00 0.00 C ATOM 592 CG PHE A 45 5.430 -2.116 26.243 1.00 0.00 C ATOM 593 CD1 PHE A 45 4.234 -1.468 25.988 1.00 0.00 C ATOM 594 CD2 PHE A 45 6.611 -1.498 25.868 1.00 0.00 C ATOM 595 CE1 PHE A 45 4.218 -0.232 25.371 1.00 0.00 C ATOM 596 CE2 PHE A 45 6.595 -0.262 25.251 1.00 0.00 C ATOM 597 CZ PHE A 45 5.406 0.372 25.002 1.00 0.00 C ATOM 0 H PHE A 45 5.543 -5.835 27.625 1.00 0.00 H new ATOM 0 HA PHE A 45 4.089 -4.471 25.573 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.747 -3.448 27.748 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.438 -3.635 27.331 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.303 -1.934 26.275 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.554 -1.987 26.060 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.278 0.263 25.177 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.524 0.207 24.963 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.397 1.338 24.520 1.00 0.00 H new ATOM 607 N THR A 46 7.281 -5.205 25.152 1.00 0.00 N ATOM 608 CA THR A 46 8.362 -5.319 24.178 1.00 0.00 C ATOM 609 C THR A 46 8.067 -6.430 23.184 1.00 0.00 C ATOM 610 O THR A 46 8.259 -6.267 21.981 1.00 0.00 O ATOM 611 CB THR A 46 9.705 -5.638 24.860 1.00 0.00 C ATOM 612 OG1 THR A 46 10.053 -4.576 25.757 1.00 0.00 O ATOM 613 CG2 THR A 46 10.807 -5.788 23.823 1.00 0.00 C ATOM 0 H THR A 46 7.510 -5.580 26.073 1.00 0.00 H new ATOM 0 HA THR A 46 8.432 -4.358 23.668 1.00 0.00 H new ATOM 0 HB THR A 46 9.600 -6.574 25.409 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.450 -4.590 26.530 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.749 -6.013 24.323 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.556 -6.599 23.140 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.907 -4.859 23.262 1.00 0.00 H new ATOM 621 N SER A 47 7.599 -7.559 23.705 1.00 0.00 N ATOM 622 CA SER A 47 7.268 -8.720 22.884 1.00 0.00 C ATOM 623 C SER A 47 5.964 -8.489 22.138 1.00 0.00 C ATOM 624 O SER A 47 5.845 -8.813 20.959 1.00 0.00 O ATOM 625 CB SER A 47 7.112 -9.967 23.757 1.00 0.00 C ATOM 626 OG SER A 47 6.779 -11.100 22.974 1.00 0.00 O ATOM 0 H SER A 47 7.439 -7.696 24.703 1.00 0.00 H new ATOM 0 HA SER A 47 8.081 -8.867 22.172 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.040 -10.155 24.297 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.337 -9.797 24.504 1.00 0.00 H new ATOM 0 HG SER A 47 6.687 -11.884 23.555 1.00 0.00 H new ATOM 632 N LYS A 48 4.990 -7.925 22.846 1.00 0.00 N ATOM 633 CA LYS A 48 3.676 -7.637 22.276 1.00 0.00 C ATOM 634 C LYS A 48 3.748 -6.430 21.356 1.00 0.00 C ATOM 635 O LYS A 48 3.136 -6.411 20.290 1.00 0.00 O ATOM 636 CB LYS A 48 2.664 -7.340 23.385 1.00 0.00 C ATOM 637 CG LYS A 48 2.286 -8.552 24.221 1.00 0.00 C ATOM 638 CD LYS A 48 1.547 -9.588 23.389 1.00 0.00 C ATOM 639 CE LYS A 48 1.128 -10.779 24.235 1.00 0.00 C ATOM 640 NZ LYS A 48 0.436 -11.819 23.426 1.00 0.00 N ATOM 0 H LYS A 48 5.087 -7.656 23.825 1.00 0.00 H new ATOM 0 HA LYS A 48 3.360 -8.514 21.712 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.075 -6.573 24.041 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.761 -6.925 22.937 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.185 -8.998 24.646 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.660 -8.239 25.056 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.666 -9.133 22.936 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.186 -9.926 22.573 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.007 -11.214 24.710 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.468 -10.442 25.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.167 -12.614 24.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.417 -11.411 22.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.074 -12.159 22.679 1.00 0.00 H new ATOM 654 N ALA A 49 4.506 -5.424 21.785 1.00 0.00 N ATOM 655 CA ALA A 49 4.679 -4.195 21.017 1.00 0.00 C ATOM 0 H ALA A 49 5.014 -5.437 22.669 1.00 0.00 H new