USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 474 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 17 TYR OH : rot -81:sc= 0.383 USER MOD Set 1.2: A 20 GLN : amide:sc= -1.34! C(o=-0.96!,f=-6.1!) USER MOD Set 2.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.164 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.868 K(o=-0.87,f=-2.8!) USER MOD Single : A 11 TYR OH : rot 86:sc= 0.473 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.398 K(o=-0.4,f=-1.1!) USER MOD Single : A 28 SER OG : rot -113:sc= 0.00145 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.88 K(o=-0.88,f=-0.37) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.00095) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -111:sc= -0.126 (180deg=-2.21!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0548 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.778 16.338 -7.088 1.00 0.00 N ATOM 2 CA GLY A 1 2.366 16.420 -7.409 1.00 0.00 C ATOM 3 C GLY A 1 1.586 17.233 -6.395 1.00 0.00 C ATOM 4 O GLY A 1 1.041 16.685 -5.437 1.00 0.00 O ATOM 0 H1 GLY A 1 4.266 15.772 -7.811 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.185 17.295 -7.064 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.897 15.888 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.247 16.866 -8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.950 15.414 -7.461 1.00 0.00 H new ATOM 8 N SER A 2 1.535 18.545 -6.604 1.00 0.00 N ATOM 9 CA SER A 2 0.821 19.436 -5.696 1.00 0.00 C ATOM 10 C SER A 2 1.151 19.109 -4.243 1.00 0.00 C ATOM 11 O SER A 2 0.270 19.098 -3.383 1.00 0.00 O ATOM 12 CB SER A 2 -0.688 19.330 -5.925 1.00 0.00 C ATOM 13 OG SER A 2 -1.114 20.225 -6.938 1.00 0.00 O ATOM 0 H SER A 2 1.979 19.014 -7.393 1.00 0.00 H new ATOM 0 HA SER A 2 1.141 20.457 -5.902 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.946 18.309 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.216 19.548 -4.997 1.00 0.00 H new ATOM 0 HG SER A 2 -2.082 20.137 -7.067 1.00 0.00 H new ATOM 19 N SER A 3 2.426 18.844 -3.977 1.00 0.00 N ATOM 20 CA SER A 3 2.873 18.514 -2.629 1.00 0.00 C ATOM 21 C SER A 3 4.255 19.098 -2.356 1.00 0.00 C ATOM 22 O SER A 3 4.981 19.463 -3.281 1.00 0.00 O ATOM 23 CB SER A 3 2.901 16.996 -2.437 1.00 0.00 C ATOM 24 OG SER A 3 3.998 16.416 -3.122 1.00 0.00 O ATOM 0 H SER A 3 3.168 18.851 -4.677 1.00 0.00 H new ATOM 0 HA SER A 3 2.168 18.951 -1.922 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.967 16.762 -1.374 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.970 16.563 -2.802 1.00 0.00 H new ATOM 0 HG SER A 3 3.995 15.446 -2.983 1.00 0.00 H new ATOM 30 N GLY A 4 4.613 19.185 -1.079 1.00 0.00 N ATOM 31 CA GLY A 4 5.907 19.726 -0.705 1.00 0.00 C ATOM 32 C GLY A 4 6.799 18.693 -0.046 1.00 0.00 C ATOM 33 O GLY A 4 7.515 17.958 -0.725 1.00 0.00 O ATOM 0 H GLY A 4 4.030 18.890 -0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.404 20.117 -1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.764 20.565 -0.024 1.00 0.00 H new ATOM 37 N SER A 5 6.757 18.638 1.281 1.00 0.00 N ATOM 38 CA SER A 5 7.572 17.691 2.033 1.00 0.00 C ATOM 39 C SER A 5 6.734 16.508 2.506 1.00 0.00 C ATOM 40 O SER A 5 7.090 15.351 2.281 1.00 0.00 O ATOM 41 CB SER A 5 8.220 18.384 3.234 1.00 0.00 C ATOM 42 OG SER A 5 7.237 18.913 4.108 1.00 0.00 O ATOM 0 H SER A 5 6.167 19.238 1.858 1.00 0.00 H new ATOM 0 HA SER A 5 8.354 17.318 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.847 17.674 3.773 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.872 19.185 2.887 1.00 0.00 H new ATOM 0 HG SER A 5 7.676 19.349 4.868 1.00 0.00 H new ATOM 48 N SER A 6 5.617 16.806 3.162 1.00 0.00 N ATOM 49 CA SER A 6 4.729 15.768 3.671 1.00 0.00 C ATOM 50 C SER A 6 3.269 16.126 3.409 1.00 0.00 C ATOM 51 O SER A 6 2.749 17.098 3.955 1.00 0.00 O ATOM 52 CB SER A 6 4.954 15.563 5.170 1.00 0.00 C ATOM 53 OG SER A 6 4.447 14.310 5.596 1.00 0.00 O ATOM 0 H SER A 6 5.306 17.758 3.353 1.00 0.00 H new ATOM 0 HA SER A 6 4.958 14.840 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.019 15.622 5.392 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.467 16.364 5.727 1.00 0.00 H new ATOM 0 HG SER A 6 4.605 14.203 6.557 1.00 0.00 H new ATOM 59 N GLY A 7 2.613 15.332 2.567 1.00 0.00 N ATOM 60 CA GLY A 7 1.220 15.581 2.246 1.00 0.00 C ATOM 61 C GLY A 7 0.414 14.302 2.132 1.00 0.00 C ATOM 62 O GLY A 7 0.005 13.726 3.139 1.00 0.00 O ATOM 0 H GLY A 7 3.022 14.521 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.781 16.216 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.159 16.130 1.306 1.00 0.00 H new ATOM 66 N ALA A 8 0.183 13.859 0.901 1.00 0.00 N ATOM 67 CA ALA A 8 -0.579 12.640 0.658 1.00 0.00 C ATOM 68 C ALA A 8 0.345 11.470 0.336 1.00 0.00 C ATOM 69 O ALA A 8 0.627 11.194 -0.829 1.00 0.00 O ATOM 70 CB ALA A 8 -1.574 12.856 -0.472 1.00 0.00 C ATOM 0 H ALA A 8 0.513 14.326 0.056 1.00 0.00 H new ATOM 0 HA ALA A 8 -1.127 12.396 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.136 11.938 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.262 13.658 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.038 13.128 -1.382 1.00 0.00 H new ATOM 76 N GLN A 9 0.811 10.787 1.377 1.00 0.00 N ATOM 77 CA GLN A 9 1.704 9.647 1.203 1.00 0.00 C ATOM 78 C GLN A 9 1.198 8.722 0.102 1.00 0.00 C ATOM 79 O GLN A 9 0.029 8.339 0.089 1.00 0.00 O ATOM 80 CB GLN A 9 1.837 8.872 2.516 1.00 0.00 C ATOM 81 CG GLN A 9 2.812 9.502 3.498 1.00 0.00 C ATOM 82 CD GLN A 9 4.249 9.434 3.019 1.00 0.00 C ATOM 83 OE1 GLN A 9 4.972 8.485 3.323 1.00 0.00 O ATOM 84 NE2 GLN A 9 4.670 10.442 2.265 1.00 0.00 N ATOM 0 H GLN A 9 0.586 11.003 2.348 1.00 0.00 H new ATOM 0 HA GLN A 9 2.684 10.026 0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.856 8.799 2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.161 7.855 2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.536 10.544 3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.730 8.997 4.460 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.036 11.208 2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.627 10.450 1.913 1.00 0.00 H new ATOM 93 N GLU A 10 2.087 8.366 -0.821 1.00 0.00 N ATOM 94 CA GLU A 10 1.729 7.487 -1.927 1.00 0.00 C ATOM 95 C GLU A 10 2.152 6.049 -1.638 1.00 0.00 C ATOM 96 O GLU A 10 3.198 5.808 -1.033 1.00 0.00 O ATOM 97 CB GLU A 10 2.380 7.971 -3.224 1.00 0.00 C ATOM 98 CG GLU A 10 1.816 9.287 -3.734 1.00 0.00 C ATOM 99 CD GLU A 10 2.088 9.506 -5.209 1.00 0.00 C ATOM 100 OE1 GLU A 10 3.037 8.888 -5.736 1.00 0.00 O ATOM 101 OE2 GLU A 10 1.352 10.295 -5.837 1.00 0.00 O ATOM 0 H GLU A 10 3.060 8.673 -0.824 1.00 0.00 H new ATOM 0 HA GLU A 10 0.645 7.513 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.452 8.083 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.251 7.208 -3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.740 9.309 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.248 10.109 -3.163 1.00 0.00 H new ATOM 108 N TYR A 11 1.334 5.099 -2.074 1.00 0.00 N ATOM 109 CA TYR A 11 1.621 3.685 -1.860 1.00 0.00 C ATOM 110 C TYR A 11 1.678 2.934 -3.187 1.00 0.00 C ATOM 111 O TYR A 11 0.773 3.044 -4.015 1.00 0.00 O ATOM 112 CB TYR A 11 0.560 3.059 -0.953 1.00 0.00 C ATOM 113 CG TYR A 11 0.671 3.488 0.493 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.285 4.761 0.893 1.00 0.00 C ATOM 115 CD2 TYR A 11 1.161 2.618 1.460 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.386 5.157 2.212 1.00 0.00 C ATOM 117 CE2 TYR A 11 1.264 3.005 2.782 1.00 0.00 C ATOM 118 CZ TYR A 11 0.876 4.275 3.153 1.00 0.00 C ATOM 119 OH TYR A 11 0.976 4.665 4.469 1.00 0.00 O ATOM 0 H TYR A 11 0.466 5.282 -2.578 1.00 0.00 H new ATOM 0 HA TYR A 11 2.595 3.607 -1.376 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.429 3.325 -1.327 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.641 1.973 -1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.101 5.453 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.466 1.623 1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.083 6.151 2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.646 2.317 3.521 1.00 0.00 H new ATOM 0 HH TYR A 11 0.119 4.516 4.920 1.00 0.00 H new ATOM 129 N ARG A 12 2.749 2.171 -3.382 1.00 0.00 N ATOM 130 CA ARG A 12 2.926 1.402 -4.607 1.00 0.00 C ATOM 131 C ARG A 12 2.452 -0.036 -4.420 1.00 0.00 C ATOM 132 O ARG A 12 3.018 -0.789 -3.627 1.00 0.00 O ATOM 133 CB ARG A 12 4.395 1.414 -5.034 1.00 0.00 C ATOM 134 CG ARG A 12 4.601 1.139 -6.515 1.00 0.00 C ATOM 135 CD ARG A 12 6.078 1.078 -6.870 1.00 0.00 C ATOM 136 NE ARG A 12 6.296 0.563 -8.219 1.00 0.00 N ATOM 137 CZ ARG A 12 6.077 1.272 -9.321 1.00 0.00 C ATOM 138 NH1 ARG A 12 5.637 2.519 -9.233 1.00 0.00 N ATOM 139 NH2 ARG A 12 6.299 0.733 -10.513 1.00 0.00 N ATOM 0 H ARG A 12 3.507 2.069 -2.707 1.00 0.00 H new ATOM 0 HA ARG A 12 2.323 1.866 -5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.828 2.384 -4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.939 0.667 -4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.123 0.196 -6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.117 1.919 -7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.512 2.075 -6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.598 0.444 -6.152 1.00 0.00 H new ATOM 0 HE ARG A 12 6.635 -0.394 -8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.466 2.936 -8.318 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.469 3.062 -10.080 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.638 -0.226 -10.584 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.131 1.278 -11.359 1.00 0.00 H new ATOM 153 N ALA A 13 1.409 -0.411 -5.154 1.00 0.00 N ATOM 154 CA ALA A 13 0.860 -1.758 -5.070 1.00 0.00 C ATOM 155 C ALA A 13 1.971 -2.800 -4.987 1.00 0.00 C ATOM 156 O ALA A 13 3.065 -2.600 -5.517 1.00 0.00 O ATOM 157 CB ALA A 13 -0.039 -2.037 -6.265 1.00 0.00 C ATOM 0 H ALA A 13 0.928 0.200 -5.814 1.00 0.00 H new ATOM 0 HA ALA A 13 0.266 -1.825 -4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.442 -3.047 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.859 -1.319 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.539 -1.945 -7.184 1.00 0.00 H new ATOM 163 N LEU A 14 1.685 -3.911 -4.318 1.00 0.00 N ATOM 164 CA LEU A 14 2.660 -4.985 -4.164 1.00 0.00 C ATOM 165 C LEU A 14 2.224 -6.231 -4.928 1.00 0.00 C ATOM 166 O LEU A 14 3.048 -6.931 -5.516 1.00 0.00 O ATOM 167 CB LEU A 14 2.850 -5.321 -2.684 1.00 0.00 C ATOM 168 CG LEU A 14 3.668 -4.319 -1.868 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.339 -4.441 -0.388 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.157 -4.529 -2.104 1.00 0.00 C ATOM 0 H LEU A 14 0.785 -4.092 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 14 3.609 -4.642 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.866 -5.416 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.331 -6.296 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 14 3.406 -3.313 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.930 -3.720 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.279 -4.241 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.572 -5.449 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.724 -3.808 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.434 -5.540 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.381 -4.390 -3.162 1.00 0.00 H new ATOM 182 N TYR A 15 0.923 -6.499 -4.918 1.00 0.00 N ATOM 183 CA TYR A 15 0.377 -7.661 -5.610 1.00 0.00 C ATOM 184 C TYR A 15 -1.001 -7.352 -6.188 1.00 0.00 C ATOM 185 O TYR A 15 -1.725 -6.499 -5.675 1.00 0.00 O ATOM 186 CB TYR A 15 0.286 -8.853 -4.656 1.00 0.00 C ATOM 187 CG TYR A 15 1.523 -9.045 -3.807 1.00 0.00 C ATOM 188 CD1 TYR A 15 2.608 -9.773 -4.280 1.00 0.00 C ATOM 189 CD2 TYR A 15 1.607 -8.497 -2.533 1.00 0.00 C ATOM 190 CE1 TYR A 15 3.739 -9.951 -3.508 1.00 0.00 C ATOM 191 CE2 TYR A 15 2.735 -8.669 -1.754 1.00 0.00 C ATOM 192 CZ TYR A 15 3.798 -9.397 -2.246 1.00 0.00 C ATOM 193 OH TYR A 15 4.924 -9.571 -1.474 1.00 0.00 O ATOM 0 H TYR A 15 0.227 -5.928 -4.439 1.00 0.00 H new ATOM 0 HA TYR A 15 1.048 -7.912 -6.431 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.576 -8.720 -4.002 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.109 -9.759 -5.236 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.566 -10.207 -5.268 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.776 -7.927 -2.145 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.573 -10.521 -3.890 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.784 -8.236 -0.766 1.00 0.00 H new ATOM 0 HH TYR A 15 4.804 -9.117 -0.614 1.00 0.00 H new ATOM 203 N ASP A 16 -1.356 -8.053 -7.259 1.00 0.00 N ATOM 204 CA ASP A 16 -2.647 -7.856 -7.908 1.00 0.00 C ATOM 205 C ASP A 16 -3.765 -8.513 -7.104 1.00 0.00 C ATOM 206 O ASP A 16 -3.975 -9.723 -7.188 1.00 0.00 O ATOM 207 CB ASP A 16 -2.620 -8.426 -9.327 1.00 0.00 C ATOM 208 CG ASP A 16 -2.052 -9.831 -9.377 1.00 0.00 C ATOM 209 OD1 ASP A 16 -0.824 -9.979 -9.207 1.00 0.00 O ATOM 210 OD2 ASP A 16 -2.835 -10.781 -9.586 1.00 0.00 O ATOM 0 H ASP A 16 -0.768 -8.763 -7.696 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.841 -6.785 -7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.632 -8.432 -9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.025 -7.774 -9.966 1.00 0.00 H new ATOM 215 N TYR A 17 -4.477 -7.707 -6.324 1.00 0.00 N ATOM 216 CA TYR A 17 -5.571 -8.210 -5.502 1.00 0.00 C ATOM 217 C TYR A 17 -6.889 -8.176 -6.269 1.00 0.00 C ATOM 218 O TYR A 17 -7.119 -7.292 -7.095 1.00 0.00 O ATOM 219 CB TYR A 17 -5.692 -7.386 -4.219 1.00 0.00 C ATOM 220 CG TYR A 17 -6.996 -7.600 -3.483 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.151 -8.659 -2.597 1.00 0.00 C ATOM 222 CD2 TYR A 17 -8.073 -6.742 -3.673 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.340 -8.859 -1.924 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.265 -6.934 -3.003 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.394 -7.993 -2.130 1.00 0.00 C ATOM 226 OH TYR A 17 -10.581 -8.188 -1.460 1.00 0.00 O ATOM 0 H TYR A 17 -4.316 -6.703 -6.244 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.351 -9.245 -5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.864 -7.638 -3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.593 -6.329 -4.465 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.327 -9.338 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.976 -5.911 -4.356 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.444 -9.689 -1.240 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.092 -6.258 -3.162 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.104 -8.881 -1.915 1.00 0.00 H new ATOM 236 N THR A 18 -7.755 -9.145 -5.988 1.00 0.00 N ATOM 237 CA THR A 18 -9.050 -9.228 -6.650 1.00 0.00 C ATOM 238 C THR A 18 -10.185 -8.929 -5.677 1.00 0.00 C ATOM 239 O THR A 18 -10.442 -9.699 -4.753 1.00 0.00 O ATOM 240 CB THR A 18 -9.276 -10.619 -7.272 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.246 -10.902 -8.226 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.636 -10.695 -7.949 1.00 0.00 C ATOM 0 H THR A 18 -7.582 -9.883 -5.306 1.00 0.00 H new ATOM 0 HA THR A 18 -9.047 -8.480 -7.443 1.00 0.00 H new ATOM 0 HB THR A 18 -9.244 -11.360 -6.473 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.396 -11.789 -8.616 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.773 -11.686 -8.381 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.419 -10.508 -7.214 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.692 -9.945 -8.738 1.00 0.00 H new ATOM 250 N ALA A 19 -10.863 -7.806 -5.893 1.00 0.00 N ATOM 251 CA ALA A 19 -11.972 -7.407 -5.036 1.00 0.00 C ATOM 252 C ALA A 19 -13.190 -8.295 -5.265 1.00 0.00 C ATOM 253 O ALA A 19 -13.708 -8.377 -6.378 1.00 0.00 O ATOM 254 CB ALA A 19 -12.328 -5.947 -5.278 1.00 0.00 C ATOM 0 H ALA A 19 -10.663 -7.157 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.658 -7.526 -3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.158 -5.663 -4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.464 -5.320 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.617 -5.811 -6.320 1.00 0.00 H new ATOM 260 N GLN A 20 -13.640 -8.959 -4.206 1.00 0.00 N ATOM 261 CA GLN A 20 -14.797 -9.843 -4.293 1.00 0.00 C ATOM 262 C GLN A 20 -16.077 -9.044 -4.517 1.00 0.00 C ATOM 263 O GLN A 20 -16.838 -9.320 -5.443 1.00 0.00 O ATOM 264 CB GLN A 20 -14.921 -10.683 -3.021 1.00 0.00 C ATOM 265 CG GLN A 20 -13.984 -11.880 -2.989 1.00 0.00 C ATOM 266 CD GLN A 20 -12.537 -11.495 -3.220 1.00 0.00 C ATOM 267 OE1 GLN A 20 -12.120 -10.382 -2.898 1.00 0.00 O ATOM 268 NE2 GLN A 20 -11.761 -12.416 -3.780 1.00 0.00 N ATOM 0 H GLN A 20 -13.222 -8.902 -3.278 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.652 -10.507 -5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.719 -10.050 -2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.949 -11.034 -2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.073 -12.381 -2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.291 -12.597 -3.750 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.149 -13.326 -4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.777 -12.214 -3.959 1.00 0.00 H new ATOM 277 N ASN A 21 -16.307 -8.054 -3.661 1.00 0.00 N ATOM 278 CA ASN A 21 -17.496 -7.216 -3.764 1.00 0.00 C ATOM 279 C ASN A 21 -17.247 -6.030 -4.691 1.00 0.00 C ATOM 280 O ASN A 21 -16.113 -5.590 -4.886 1.00 0.00 O ATOM 281 CB ASN A 21 -17.915 -6.716 -2.380 1.00 0.00 C ATOM 282 CG ASN A 21 -17.548 -7.691 -1.278 1.00 0.00 C ATOM 283 OD1 ASN A 21 -17.594 -8.906 -1.468 1.00 0.00 O ATOM 284 ND2 ASN A 21 -17.181 -7.160 -0.117 1.00 0.00 N ATOM 0 H ASN A 21 -15.686 -7.812 -2.889 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.300 -7.820 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -17.439 -5.755 -2.184 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.992 -6.547 -2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.923 -7.766 0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.157 -6.146 -0.004 1.00 0.00 H new ATOM 291 N PRO A 22 -18.330 -5.499 -5.277 1.00 0.00 N ATOM 292 CA PRO A 22 -18.255 -4.356 -6.192 1.00 0.00 C ATOM 293 C PRO A 22 -17.887 -3.062 -5.474 1.00 0.00 C ATOM 294 O PRO A 22 -17.802 -2.001 -6.093 1.00 0.00 O ATOM 295 CB PRO A 22 -19.672 -4.266 -6.764 1.00 0.00 C ATOM 296 CG PRO A 22 -20.540 -4.890 -5.726 1.00 0.00 C ATOM 297 CD PRO A 22 -19.712 -5.972 -5.090 1.00 0.00 C ATOM 0 HA PRO A 22 -17.483 -4.490 -6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -19.959 -3.231 -6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -19.750 -4.794 -7.714 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -20.855 -4.154 -4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.446 -5.302 -6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -19.955 -6.096 -4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -19.875 -6.937 -5.570 1.00 0.00 H new ATOM 305 N ASP A 23 -17.670 -3.157 -4.167 1.00 0.00 N ATOM 306 CA ASP A 23 -17.309 -1.993 -3.366 1.00 0.00 C ATOM 307 C ASP A 23 -15.801 -1.766 -3.385 1.00 0.00 C ATOM 308 O ASP A 23 -15.335 -0.648 -3.601 1.00 0.00 O ATOM 309 CB ASP A 23 -17.793 -2.169 -1.926 1.00 0.00 C ATOM 310 CG ASP A 23 -19.292 -1.983 -1.791 1.00 0.00 C ATOM 311 OD1 ASP A 23 -20.041 -2.620 -2.561 1.00 0.00 O ATOM 312 OD2 ASP A 23 -19.715 -1.200 -0.915 1.00 0.00 O ATOM 0 H ASP A 23 -17.738 -4.028 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.795 -1.119 -3.800 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.520 -3.164 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.282 -1.452 -1.284 1.00 0.00 H new ATOM 317 N GLU A 24 -15.044 -2.835 -3.156 1.00 0.00 N ATOM 318 CA GLU A 24 -13.588 -2.750 -3.145 1.00 0.00 C ATOM 319 C GLU A 24 -13.046 -2.527 -4.554 1.00 0.00 C ATOM 320 O GLU A 24 -13.767 -2.677 -5.541 1.00 0.00 O ATOM 321 CB GLU A 24 -12.986 -4.026 -2.551 1.00 0.00 C ATOM 322 CG GLU A 24 -13.275 -4.202 -1.070 1.00 0.00 C ATOM 323 CD GLU A 24 -14.749 -4.408 -0.783 1.00 0.00 C ATOM 324 OE1 GLU A 24 -15.416 -5.103 -1.579 1.00 0.00 O ATOM 325 OE2 GLU A 24 -15.236 -3.876 0.236 1.00 0.00 O ATOM 0 H GLU A 24 -15.414 -3.768 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.303 -1.899 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.375 -4.888 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.907 -4.014 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.713 -5.056 -0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.923 -3.324 -0.528 1.00 0.00 H new ATOM 332 N LEU A 25 -11.770 -2.166 -4.639 1.00 0.00 N ATOM 333 CA LEU A 25 -11.129 -1.921 -5.927 1.00 0.00 C ATOM 334 C LEU A 25 -9.885 -2.788 -6.090 1.00 0.00 C ATOM 335 O LEU A 25 -8.965 -2.732 -5.273 1.00 0.00 O ATOM 336 CB LEU A 25 -10.756 -0.443 -6.059 1.00 0.00 C ATOM 337 CG LEU A 25 -11.858 0.484 -6.571 1.00 0.00 C ATOM 338 CD1 LEU A 25 -11.487 1.939 -6.328 1.00 0.00 C ATOM 339 CD2 LEU A 25 -12.119 0.238 -8.049 1.00 0.00 C ATOM 0 H LEU A 25 -11.159 -2.037 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.837 -2.183 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.430 -0.083 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.901 -0.363 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.773 0.267 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.283 2.584 -6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.352 2.107 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.559 2.170 -6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.907 0.907 -8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.207 0.426 -8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.431 -0.796 -8.196 1.00 0.00 H new ATOM 351 N ASP A 26 -9.863 -3.588 -7.150 1.00 0.00 N ATOM 352 CA ASP A 26 -8.730 -4.465 -7.422 1.00 0.00 C ATOM 353 C ASP A 26 -7.449 -3.657 -7.605 1.00 0.00 C ATOM 354 O ASP A 26 -7.422 -2.674 -8.347 1.00 0.00 O ATOM 355 CB ASP A 26 -8.998 -5.307 -8.671 1.00 0.00 C ATOM 356 CG ASP A 26 -9.508 -4.476 -9.832 1.00 0.00 C ATOM 357 OD1 ASP A 26 -9.117 -3.294 -9.931 1.00 0.00 O ATOM 358 OD2 ASP A 26 -10.298 -5.007 -10.640 1.00 0.00 O ATOM 0 H ASP A 26 -10.616 -3.647 -7.835 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.602 -5.128 -6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.080 -5.815 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.728 -6.081 -8.434 1.00 0.00 H new ATOM 363 N LEU A 27 -6.389 -4.077 -6.923 1.00 0.00 N ATOM 364 CA LEU A 27 -5.104 -3.392 -7.009 1.00 0.00 C ATOM 365 C LEU A 27 -4.245 -3.983 -8.122 1.00 0.00 C ATOM 366 O LEU A 27 -4.668 -4.900 -8.826 1.00 0.00 O ATOM 367 CB LEU A 27 -4.363 -3.487 -5.673 1.00 0.00 C ATOM 368 CG LEU A 27 -5.075 -2.874 -4.467 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.355 -3.241 -3.179 1.00 0.00 C ATOM 370 CD2 LEU A 27 -5.168 -1.362 -4.614 1.00 0.00 C ATOM 0 H LEU A 27 -6.394 -4.888 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.294 -2.344 -7.239 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.171 -4.539 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.393 -3.002 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.086 -3.278 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.876 -2.796 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.340 -4.325 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.332 -2.865 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.678 -0.943 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.165 -0.941 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.728 -1.118 -5.517 1.00 0.00 H new ATOM 382 N SER A 28 -3.035 -3.453 -8.274 1.00 0.00 N ATOM 383 CA SER A 28 -2.117 -3.927 -9.303 1.00 0.00 C ATOM 384 C SER A 28 -0.694 -3.455 -9.020 1.00 0.00 C ATOM 385 O SER A 28 -0.380 -2.274 -9.163 1.00 0.00 O ATOM 386 CB SER A 28 -2.564 -3.436 -10.681 1.00 0.00 C ATOM 387 OG SER A 28 -1.724 -3.946 -11.702 1.00 0.00 O ATOM 0 H SER A 28 -2.668 -2.696 -7.698 1.00 0.00 H new ATOM 0 HA SER A 28 -2.129 -5.017 -9.292 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.593 -3.745 -10.864 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.550 -2.346 -10.704 1.00 0.00 H new ATOM 0 HG SER A 28 -1.221 -3.210 -12.110 1.00 0.00 H new ATOM 393 N ALA A 29 0.163 -4.388 -8.616 1.00 0.00 N ATOM 394 CA ALA A 29 1.553 -4.069 -8.314 1.00 0.00 C ATOM 395 C ALA A 29 2.117 -3.069 -9.317 1.00 0.00 C ATOM 396 O ALA A 29 2.127 -3.320 -10.521 1.00 0.00 O ATOM 397 CB ALA A 29 2.394 -5.337 -8.301 1.00 0.00 C ATOM 0 H ALA A 29 -0.081 -5.370 -8.490 1.00 0.00 H new ATOM 0 HA ALA A 29 1.589 -3.612 -7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.430 -5.084 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.012 -6.019 -7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.343 -5.817 -9.278 1.00 0.00 H new ATOM 403 N GLY A 30 2.585 -1.931 -8.812 1.00 0.00 N ATOM 404 CA GLY A 30 3.143 -0.909 -9.678 1.00 0.00 C ATOM 405 C GLY A 30 2.258 0.318 -9.773 1.00 0.00 C ATOM 406 O GLY A 30 2.749 1.446 -9.789 1.00 0.00 O ATOM 0 H GLY A 30 2.587 -1.699 -7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.124 -0.617 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.292 -1.324 -10.675 1.00 0.00 H new ATOM 410 N ASP A 31 0.949 0.097 -9.837 1.00 0.00 N ATOM 411 CA ASP A 31 -0.007 1.194 -9.931 1.00 0.00 C ATOM 412 C ASP A 31 0.143 2.150 -8.751 1.00 0.00 C ATOM 413 O ASP A 31 0.350 1.721 -7.616 1.00 0.00 O ATOM 414 CB ASP A 31 -1.436 0.650 -9.983 1.00 0.00 C ATOM 415 CG ASP A 31 -1.800 0.112 -11.353 1.00 0.00 C ATOM 416 OD1 ASP A 31 -1.144 -0.849 -11.807 1.00 0.00 O ATOM 417 OD2 ASP A 31 -2.742 0.650 -11.970 1.00 0.00 O ATOM 0 H ASP A 31 0.526 -0.831 -9.825 1.00 0.00 H new ATOM 0 HA ASP A 31 0.199 1.744 -10.849 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.547 -0.143 -9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.133 1.442 -9.709 1.00 0.00 H new ATOM 422 N ILE A 32 0.040 3.445 -9.029 1.00 0.00 N ATOM 423 CA ILE A 32 0.165 4.460 -7.991 1.00 0.00 C ATOM 424 C ILE A 32 -1.201 4.849 -7.435 1.00 0.00 C ATOM 425 O ILE A 32 -2.074 5.312 -8.171 1.00 0.00 O ATOM 426 CB ILE A 32 0.870 5.723 -8.520 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.285 5.383 -8.994 1.00 0.00 C ATOM 428 CG2 ILE A 32 0.910 6.798 -7.444 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.154 4.778 -7.915 1.00 0.00 C ATOM 0 H ILE A 32 -0.130 3.816 -9.964 1.00 0.00 H new ATOM 0 HA ILE A 32 0.768 4.024 -7.195 1.00 0.00 H new ATOM 0 HB ILE A 32 0.305 6.108 -9.369 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.222 4.688 -9.831 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.762 6.289 -9.368 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.411 7.684 -7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.107 7.056 -7.150 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.455 6.425 -6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.142 4.562 -8.322 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.248 5.481 -7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.700 3.854 -7.557 1.00 0.00 H new ATOM 441 N LEU A 33 -1.379 4.660 -6.132 1.00 0.00 N ATOM 442 CA LEU A 33 -2.639 4.993 -5.476 1.00 0.00 C ATOM 443 C LEU A 33 -2.409 5.949 -4.310 1.00 0.00 C ATOM 444 O LEU A 33 -1.356 5.925 -3.674 1.00 0.00 O ATOM 445 CB LEU A 33 -3.330 3.722 -4.980 1.00 0.00 C ATOM 446 CG LEU A 33 -3.277 2.518 -5.922 1.00 0.00 C ATOM 447 CD1 LEU A 33 -3.407 1.222 -5.138 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.368 2.618 -6.977 1.00 0.00 C ATOM 0 H LEU A 33 -0.667 4.278 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.281 5.487 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.880 3.435 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.376 3.955 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.311 2.518 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.367 0.376 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.589 1.147 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.358 1.213 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.315 1.753 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.343 2.644 -6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.229 3.529 -7.559 1.00 0.00 H new ATOM 460 N GLU A 34 -3.403 6.787 -4.033 1.00 0.00 N ATOM 461 CA GLU A 34 -3.309 7.750 -2.942 1.00 0.00 C ATOM 462 C GLU A 34 -4.300 7.412 -1.832 1.00 0.00 C ATOM 463 O GLU A 34 -5.512 7.404 -2.048 1.00 0.00 O ATOM 464 CB GLU A 34 -3.568 9.167 -3.458 1.00 0.00 C ATOM 465 CG GLU A 34 -3.397 10.241 -2.398 1.00 0.00 C ATOM 466 CD GLU A 34 -3.983 11.575 -2.819 1.00 0.00 C ATOM 467 OE1 GLU A 34 -5.221 11.726 -2.750 1.00 0.00 O ATOM 468 OE2 GLU A 34 -3.206 12.466 -3.218 1.00 0.00 O ATOM 0 H GLU A 34 -4.282 6.818 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.300 7.700 -2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.889 9.373 -4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.581 9.220 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.875 9.914 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.336 10.367 -2.181 1.00 0.00 H new ATOM 475 N VAL A 35 -3.776 7.133 -0.643 1.00 0.00 N ATOM 476 CA VAL A 35 -4.613 6.795 0.502 1.00 0.00 C ATOM 477 C VAL A 35 -5.187 8.049 1.152 1.00 0.00 C ATOM 478 O VAL A 35 -4.449 8.876 1.688 1.00 0.00 O ATOM 479 CB VAL A 35 -3.825 5.998 1.558 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.471 6.643 1.814 1.00 0.00 C ATOM 481 CG2 VAL A 35 -4.624 5.886 2.847 1.00 0.00 C ATOM 0 H VAL A 35 -2.775 7.134 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.429 6.178 0.126 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.654 4.992 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.929 6.066 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.897 6.665 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.615 7.661 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.052 5.320 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.828 6.883 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.566 5.374 2.648 1.00 0.00 H new ATOM 491 N ILE A 36 -6.508 8.183 1.101 1.00 0.00 N ATOM 492 CA ILE A 36 -7.181 9.336 1.687 1.00 0.00 C ATOM 493 C ILE A 36 -7.334 9.175 3.196 1.00 0.00 C ATOM 494 O ILE A 36 -7.405 10.160 3.932 1.00 0.00 O ATOM 495 CB ILE A 36 -8.572 9.553 1.062 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.455 9.706 -0.456 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.243 10.774 1.673 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.752 10.976 -0.882 1.00 0.00 C ATOM 0 H ILE A 36 -7.133 7.508 0.660 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.558 10.205 1.478 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.189 8.680 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.916 8.849 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.453 9.689 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.225 10.914 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.356 10.628 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.630 11.656 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.705 11.018 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.303 11.839 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.741 10.987 -0.474 1.00 0.00 H new ATOM 510 N LEU A 37 -7.382 7.928 3.650 1.00 0.00 N ATOM 511 CA LEU A 37 -7.524 7.637 5.073 1.00 0.00 C ATOM 512 C LEU A 37 -6.958 6.260 5.406 1.00 0.00 C ATOM 513 O LEU A 37 -7.234 5.282 4.713 1.00 0.00 O ATOM 514 CB LEU A 37 -8.995 7.710 5.484 1.00 0.00 C ATOM 515 CG LEU A 37 -9.266 7.946 6.970 1.00 0.00 C ATOM 516 CD1 LEU A 37 -9.169 9.427 7.303 1.00 0.00 C ATOM 517 CD2 LEU A 37 -10.633 7.399 7.357 1.00 0.00 C ATOM 0 H LEU A 37 -7.325 7.102 3.054 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.960 8.385 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.471 8.510 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.480 6.779 5.190 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.508 7.415 7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.365 9.575 8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.169 9.789 7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.904 9.980 6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.809 7.576 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.404 7.901 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.666 6.328 7.157 1.00 0.00 H new ATOM 529 N GLU A 38 -6.169 6.193 6.474 1.00 0.00 N ATOM 530 CA GLU A 38 -5.566 4.935 6.899 1.00 0.00 C ATOM 531 C GLU A 38 -6.573 4.081 7.665 1.00 0.00 C ATOM 532 O GLU A 38 -7.257 4.567 8.565 1.00 0.00 O ATOM 533 CB GLU A 38 -4.338 5.202 7.772 1.00 0.00 C ATOM 534 CG GLU A 38 -3.173 5.814 7.013 1.00 0.00 C ATOM 535 CD GLU A 38 -2.240 6.602 7.913 1.00 0.00 C ATOM 536 OE1 GLU A 38 -2.229 6.337 9.133 1.00 0.00 O ATOM 537 OE2 GLU A 38 -1.521 7.482 7.395 1.00 0.00 O ATOM 0 H GLU A 38 -5.933 6.994 7.060 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.257 4.390 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.620 5.869 8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.014 4.265 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.611 5.022 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.557 6.469 6.231 1.00 0.00 H new ATOM 544 N GLY A 39 -6.657 2.806 7.300 1.00 0.00 N ATOM 545 CA GLY A 39 -7.583 1.905 7.961 1.00 0.00 C ATOM 546 C GLY A 39 -6.925 1.113 9.074 1.00 0.00 C ATOM 547 O GLY A 39 -5.811 0.616 8.915 1.00 0.00 O ATOM 0 H GLY A 39 -6.101 2.381 6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.414 2.479 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.002 1.216 7.227 1.00 0.00 H new ATOM 551 N GLU A 40 -7.617 0.996 10.204 1.00 0.00 N ATOM 552 CA GLU A 40 -7.091 0.260 11.348 1.00 0.00 C ATOM 553 C GLU A 40 -7.475 -1.215 11.270 1.00 0.00 C ATOM 554 O GLU A 40 -6.824 -2.069 11.871 1.00 0.00 O ATOM 555 CB GLU A 40 -7.610 0.866 12.653 1.00 0.00 C ATOM 556 CG GLU A 40 -9.109 0.710 12.843 1.00 0.00 C ATOM 557 CD GLU A 40 -9.681 1.717 13.822 1.00 0.00 C ATOM 558 OE1 GLU A 40 -9.570 1.484 15.044 1.00 0.00 O ATOM 559 OE2 GLU A 40 -10.239 2.737 13.368 1.00 0.00 O ATOM 0 H GLU A 40 -8.542 1.401 10.351 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.004 0.335 11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.095 0.397 13.491 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.358 1.926 12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.607 0.822 11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.324 -0.298 13.198 1.00 0.00 H new ATOM 566 N ASP A 41 -8.537 -1.504 10.526 1.00 0.00 N ATOM 567 CA ASP A 41 -9.009 -2.875 10.368 1.00 0.00 C ATOM 568 C ASP A 41 -8.415 -3.514 9.117 1.00 0.00 C ATOM 569 O ASP A 41 -8.770 -4.634 8.751 1.00 0.00 O ATOM 570 CB ASP A 41 -10.536 -2.906 10.296 1.00 0.00 C ATOM 571 CG ASP A 41 -11.186 -2.437 11.583 1.00 0.00 C ATOM 572 OD1 ASP A 41 -11.442 -1.221 11.710 1.00 0.00 O ATOM 573 OD2 ASP A 41 -11.440 -3.285 12.463 1.00 0.00 O ATOM 0 H ASP A 41 -9.087 -0.808 10.023 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.682 -3.448 11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.871 -2.275 9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.866 -3.921 10.075 1.00 0.00 H new ATOM 578 N GLY A 42 -7.509 -2.793 8.463 1.00 0.00 N ATOM 579 CA GLY A 42 -6.882 -3.305 7.259 1.00 0.00 C ATOM 580 C GLY A 42 -7.416 -2.647 6.002 1.00 0.00 C ATOM 581 O GLY A 42 -6.662 -2.374 5.068 1.00 0.00 O ATOM 0 H GLY A 42 -7.198 -1.864 8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.805 -3.147 7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.043 -4.381 7.199 1.00 0.00 H new ATOM 585 N TRP A 43 -8.719 -2.393 5.978 1.00 0.00 N ATOM 586 CA TRP A 43 -9.354 -1.764 4.825 1.00 0.00 C ATOM 587 C TRP A 43 -8.984 -0.287 4.738 1.00 0.00 C ATOM 588 O TRP A 43 -9.538 0.544 5.457 1.00 0.00 O ATOM 589 CB TRP A 43 -10.873 -1.918 4.906 1.00 0.00 C ATOM 590 CG TRP A 43 -11.340 -3.327 4.700 1.00 0.00 C ATOM 591 CD1 TRP A 43 -11.944 -4.134 5.622 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.238 -4.096 3.497 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.224 -5.358 5.064 1.00 0.00 N ATOM 594 CE2 TRP A 43 -11.801 -5.360 3.761 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.727 -3.839 2.221 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -11.866 -6.362 2.796 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.792 -4.835 1.265 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.359 -6.083 1.556 1.00 0.00 C ATOM 0 H TRP A 43 -9.357 -2.613 6.743 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.993 -2.263 3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.215 -1.569 5.880 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.336 -1.276 4.157 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.168 -3.851 6.640 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.674 -6.139 5.542 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.290 -2.880 1.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.301 -7.325 3.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.399 -4.648 0.277 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.397 -6.840 0.786 1.00 0.00 H new ATOM 609 N TRP A 44 -8.045 0.032 3.854 1.00 0.00 N ATOM 610 CA TRP A 44 -7.602 1.409 3.674 1.00 0.00 C ATOM 611 C TRP A 44 -8.419 2.107 2.592 1.00 0.00 C ATOM 612 O TRP A 44 -9.012 1.456 1.731 1.00 0.00 O ATOM 613 CB TRP A 44 -6.116 1.446 3.312 1.00 0.00 C ATOM 614 CG TRP A 44 -5.212 1.309 4.500 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.416 0.525 5.599 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.963 1.977 4.707 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.369 0.666 6.477 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.464 1.550 5.953 1.00 0.00 C ATOM 619 CE3 TRP A 44 -3.217 2.893 3.961 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.254 2.010 6.467 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -2.016 3.348 4.472 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.544 2.906 5.715 1.00 0.00 C ATOM 0 H TRP A 44 -7.576 -0.644 3.251 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.753 1.938 4.615 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.901 0.643 2.606 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.896 2.385 2.804 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.274 -0.112 5.755 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.280 0.189 7.374 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.573 3.239 3.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.889 1.671 7.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.431 4.056 3.904 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.601 3.280 6.087 1.00 0.00 H new ATOM 633 N THR A 45 -8.446 3.435 2.641 1.00 0.00 N ATOM 634 CA THR A 45 -9.191 4.221 1.665 1.00 0.00 C ATOM 635 C THR A 45 -8.260 4.828 0.622 1.00 0.00 C ATOM 636 O THR A 45 -7.516 5.765 0.911 1.00 0.00 O ATOM 637 CB THR A 45 -9.990 5.349 2.344 1.00 0.00 C ATOM 638 OG1 THR A 45 -10.888 4.799 3.314 1.00 0.00 O ATOM 639 CG2 THR A 45 -10.774 6.151 1.316 1.00 0.00 C ATOM 0 H THR A 45 -7.960 3.989 3.346 1.00 0.00 H new ATOM 0 HA THR A 45 -9.886 3.539 1.174 1.00 0.00 H new ATOM 0 HB THR A 45 -9.285 6.015 2.840 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.391 5.523 3.742 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.330 6.942 1.819 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.085 6.593 0.597 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.469 5.493 0.795 1.00 0.00 H new ATOM 647 N VAL A 46 -8.307 4.290 -0.592 1.00 0.00 N ATOM 648 CA VAL A 46 -7.469 4.781 -1.679 1.00 0.00 C ATOM 649 C VAL A 46 -8.304 5.115 -2.910 1.00 0.00 C ATOM 650 O VAL A 46 -9.345 4.504 -3.149 1.00 0.00 O ATOM 651 CB VAL A 46 -6.392 3.750 -2.067 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.579 3.343 -0.849 1.00 0.00 C ATOM 653 CG2 VAL A 46 -7.031 2.535 -2.723 1.00 0.00 C ATOM 0 H VAL A 46 -8.917 3.513 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.982 5.687 -1.318 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.715 4.210 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.823 2.614 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.091 4.222 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.239 2.901 -0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.256 1.817 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.731 2.072 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.565 2.845 -3.621 1.00 0.00 H new ATOM 663 N GLU A 47 -7.840 6.088 -3.687 1.00 0.00 N ATOM 664 CA GLU A 47 -8.546 6.504 -4.894 1.00 0.00 C ATOM 665 C GLU A 47 -7.733 6.170 -6.142 1.00 0.00 C ATOM 666 O GLU A 47 -6.505 6.094 -6.093 1.00 0.00 O ATOM 667 CB GLU A 47 -8.839 8.005 -4.849 1.00 0.00 C ATOM 668 CG GLU A 47 -9.651 8.502 -6.033 1.00 0.00 C ATOM 669 CD GLU A 47 -9.828 10.008 -6.028 1.00 0.00 C ATOM 670 OE1 GLU A 47 -10.120 10.567 -4.951 1.00 0.00 O ATOM 671 OE2 GLU A 47 -9.673 10.627 -7.102 1.00 0.00 O ATOM 0 H GLU A 47 -6.979 6.603 -3.503 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.489 5.959 -4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.376 8.234 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.896 8.550 -4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.159 8.201 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.631 8.025 -6.023 1.00 0.00 H new ATOM 678 N ARG A 48 -8.427 5.972 -7.257 1.00 0.00 N ATOM 679 CA ARG A 48 -7.770 5.645 -8.518 1.00 0.00 C ATOM 680 C ARG A 48 -8.668 5.988 -9.703 1.00 0.00 C ATOM 681 O ARG A 48 -9.812 5.542 -9.777 1.00 0.00 O ATOM 682 CB ARG A 48 -7.402 4.161 -8.555 1.00 0.00 C ATOM 683 CG ARG A 48 -6.679 3.745 -9.826 1.00 0.00 C ATOM 684 CD ARG A 48 -6.135 2.329 -9.719 1.00 0.00 C ATOM 685 NE ARG A 48 -6.052 1.675 -11.023 1.00 0.00 N ATOM 686 CZ ARG A 48 -5.890 0.366 -11.179 1.00 0.00 C ATOM 687 NH1 ARG A 48 -5.795 -0.425 -10.119 1.00 0.00 N ATOM 688 NH2 ARG A 48 -5.823 -0.155 -12.398 1.00 0.00 N ATOM 0 H ARG A 48 -9.444 6.032 -7.314 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.859 6.240 -8.590 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.772 3.930 -7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.310 3.567 -8.453 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.362 3.810 -10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.860 4.437 -10.023 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.146 2.354 -9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.776 1.743 -9.060 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.122 2.255 -11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.846 -0.029 -9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.671 -1.430 -10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.896 0.450 -13.216 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.699 -1.160 -12.517 1.00 0.00 H new ATOM 702 N ASN A 49 -8.140 6.784 -10.628 1.00 0.00 N ATOM 703 CA ASN A 49 -8.893 7.187 -11.809 1.00 0.00 C ATOM 704 C ASN A 49 -10.253 7.760 -11.418 1.00 0.00 C ATOM 705 O ASN A 49 -11.238 7.591 -12.135 1.00 0.00 O ATOM 706 CB ASN A 49 -9.081 5.997 -12.752 1.00 0.00 C ATOM 707 CG ASN A 49 -9.490 6.423 -14.148 1.00 0.00 C ATOM 708 OD1 ASN A 49 -8.654 6.830 -14.955 1.00 0.00 O ATOM 709 ND2 ASN A 49 -10.782 6.332 -14.440 1.00 0.00 N ATOM 0 H ASN A 49 -7.194 7.162 -10.582 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.325 7.963 -12.323 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.152 5.430 -12.806 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.839 5.329 -12.343 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.116 6.605 -15.364 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.440 5.989 -13.740 1.00 0.00 H new ATOM 716 N GLY A 50 -10.296 8.439 -10.276 1.00 0.00 N ATOM 717 CA GLY A 50 -11.539 9.026 -9.809 1.00 0.00 C ATOM 718 C GLY A 50 -12.469 8.001 -9.191 1.00 0.00 C ATOM 719 O GLY A 50 -13.679 8.215 -9.121 1.00 0.00 O ATOM 0 H GLY A 50 -9.493 8.593 -9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.318 9.801 -9.075 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.043 9.513 -10.644 1.00 0.00 H new ATOM 723 N GLN A 51 -11.903 6.884 -8.745 1.00 0.00 N ATOM 724 CA GLN A 51 -12.691 5.822 -8.132 1.00 0.00 C ATOM 725 C GLN A 51 -12.218 5.544 -6.709 1.00 0.00 C ATOM 726 O GLN A 51 -11.023 5.384 -6.462 1.00 0.00 O ATOM 727 CB GLN A 51 -12.603 4.545 -8.969 1.00 0.00 C ATOM 728 CG GLN A 51 -13.206 4.685 -10.358 1.00 0.00 C ATOM 729 CD GLN A 51 -14.696 4.404 -10.378 1.00 0.00 C ATOM 730 OE1 GLN A 51 -15.505 5.259 -10.018 1.00 0.00 O ATOM 731 NE2 GLN A 51 -15.066 3.200 -10.800 1.00 0.00 N ATOM 0 H GLN A 51 -10.903 6.691 -8.797 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.729 6.152 -8.092 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.557 4.254 -9.064 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.112 3.739 -8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.025 5.694 -10.728 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.702 4.000 -11.040 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.361 2.522 -11.089 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.055 2.954 -10.835 1.00 0.00 H new ATOM 740 N ARG A 52 -13.164 5.489 -5.776 1.00 0.00 N ATOM 741 CA ARG A 52 -12.843 5.233 -4.378 1.00 0.00 C ATOM 742 C ARG A 52 -13.173 3.792 -3.999 1.00 0.00 C ATOM 743 O ARG A 52 -14.272 3.305 -4.265 1.00 0.00 O ATOM 744 CB ARG A 52 -13.610 6.197 -3.471 1.00 0.00 C ATOM 745 CG ARG A 52 -12.893 6.508 -2.168 1.00 0.00 C ATOM 746 CD ARG A 52 -13.631 7.568 -1.365 1.00 0.00 C ATOM 747 NE ARG A 52 -13.775 8.817 -2.109 1.00 0.00 N ATOM 748 CZ ARG A 52 -14.758 9.050 -2.970 1.00 0.00 C ATOM 749 NH1 ARG A 52 -15.681 8.125 -3.195 1.00 0.00 N ATOM 750 NH2 ARG A 52 -14.821 10.212 -3.609 1.00 0.00 N ATOM 0 H ARG A 52 -14.158 5.618 -5.964 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.773 5.391 -4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.786 7.128 -4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.587 5.770 -3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.803 5.598 -1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.881 6.851 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.617 7.194 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.093 7.759 -0.436 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.082 9.550 -1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.637 7.231 -2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.435 8.307 -3.857 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.114 10.927 -3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.577 10.390 -4.270 1.00 0.00 H new ATOM 764 N GLY A 53 -12.213 3.113 -3.378 1.00 0.00 N ATOM 765 CA GLY A 53 -12.421 1.735 -2.974 1.00 0.00 C ATOM 766 C GLY A 53 -11.663 1.381 -1.710 1.00 0.00 C ATOM 767 O GLY A 53 -10.828 2.154 -1.241 1.00 0.00 O ATOM 0 H GLY A 53 -11.295 3.493 -3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.486 1.563 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.107 1.072 -3.780 1.00 0.00 H new ATOM 771 N PHE A 54 -11.955 0.209 -1.156 1.00 0.00 N ATOM 772 CA PHE A 54 -11.297 -0.246 0.064 1.00 0.00 C ATOM 773 C PHE A 54 -10.440 -1.479 -0.208 1.00 0.00 C ATOM 774 O PHE A 54 -10.919 -2.474 -0.751 1.00 0.00 O ATOM 775 CB PHE A 54 -12.336 -0.561 1.142 1.00 0.00 C ATOM 776 CG PHE A 54 -13.317 0.553 1.372 1.00 0.00 C ATOM 777 CD1 PHE A 54 -12.929 1.714 2.021 1.00 0.00 C ATOM 778 CD2 PHE A 54 -14.628 0.438 0.939 1.00 0.00 C ATOM 779 CE1 PHE A 54 -13.831 2.739 2.234 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.535 1.461 1.149 1.00 0.00 C ATOM 781 CZ PHE A 54 -15.135 2.613 1.797 1.00 0.00 C ATOM 0 H PHE A 54 -12.643 -0.443 -1.532 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.648 0.555 0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.881 -1.461 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.822 -0.781 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.910 1.819 2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.946 -0.461 0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.516 3.639 2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.554 1.359 0.807 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.841 3.414 1.962 1.00 0.00 H new ATOM 791 N VAL A 55 -9.169 -1.404 0.173 1.00 0.00 N ATOM 792 CA VAL A 55 -8.244 -2.513 -0.028 1.00 0.00 C ATOM 793 C VAL A 55 -7.362 -2.722 1.198 1.00 0.00 C ATOM 794 O VAL A 55 -7.047 -1.787 1.934 1.00 0.00 O ATOM 795 CB VAL A 55 -7.347 -2.279 -1.258 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.193 -2.056 -2.502 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.413 -1.102 -1.020 1.00 0.00 C ATOM 0 H VAL A 55 -8.756 -0.587 0.623 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.849 -3.404 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.739 -3.170 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.542 -1.892 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.816 -2.933 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.829 -1.183 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.787 -0.951 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.001 -0.203 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.782 -1.308 -0.156 1.00 0.00 H new ATOM 807 N PRO A 56 -6.952 -3.979 1.424 1.00 0.00 N ATOM 808 CA PRO A 56 -6.099 -4.342 2.560 1.00 0.00 C ATOM 809 C PRO A 56 -4.681 -3.801 2.416 1.00 0.00 C ATOM 810 O PRO A 56 -4.064 -3.921 1.358 1.00 0.00 O ATOM 811 CB PRO A 56 -6.094 -5.872 2.525 1.00 0.00 C ATOM 812 CG PRO A 56 -6.375 -6.220 1.104 1.00 0.00 C ATOM 813 CD PRO A 56 -7.289 -5.143 0.587 1.00 0.00 C ATOM 0 HA PRO A 56 -6.468 -3.925 3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.133 -6.272 2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.851 -6.286 3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.454 -6.262 0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.845 -7.201 1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.115 -4.942 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.338 -5.422 0.690 1.00 0.00 H new ATOM 821 N GLY A 57 -4.168 -3.204 3.488 1.00 0.00 N ATOM 822 CA GLY A 57 -2.825 -2.654 3.459 1.00 0.00 C ATOM 823 C GLY A 57 -1.782 -3.691 3.094 1.00 0.00 C ATOM 824 O GLY A 57 -0.768 -3.370 2.474 1.00 0.00 O ATOM 0 H GLY A 57 -4.658 -3.092 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.786 -1.836 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.587 -2.232 4.436 1.00 0.00 H new ATOM 828 N SER A 58 -2.028 -4.938 3.481 1.00 0.00 N ATOM 829 CA SER A 58 -1.099 -6.025 3.196 1.00 0.00 C ATOM 830 C SER A 58 -0.651 -5.988 1.738 1.00 0.00 C ATOM 831 O SER A 58 0.450 -6.426 1.404 1.00 0.00 O ATOM 832 CB SER A 58 -1.748 -7.375 3.508 1.00 0.00 C ATOM 833 OG SER A 58 -1.730 -7.640 4.899 1.00 0.00 O ATOM 0 H SER A 58 -2.863 -5.221 3.993 1.00 0.00 H new ATOM 0 HA SER A 58 -0.222 -5.897 3.831 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.776 -7.380 3.147 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.220 -8.167 2.977 1.00 0.00 H new ATOM 0 HG SER A 58 -2.152 -8.507 5.072 1.00 0.00 H new ATOM 839 N TYR A 59 -1.512 -5.462 0.874 1.00 0.00 N ATOM 840 CA TYR A 59 -1.208 -5.369 -0.549 1.00 0.00 C ATOM 841 C TYR A 59 -0.795 -3.950 -0.926 1.00 0.00 C ATOM 842 O TYR A 59 -1.081 -3.480 -2.028 1.00 0.00 O ATOM 843 CB TYR A 59 -2.418 -5.798 -1.379 1.00 0.00 C ATOM 844 CG TYR A 59 -2.739 -7.272 -1.267 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.228 -7.808 -0.082 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.553 -8.127 -2.345 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.521 -9.153 0.025 1.00 0.00 C ATOM 848 CE2 TYR A 59 -2.845 -9.474 -2.247 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.328 -9.982 -1.060 1.00 0.00 C ATOM 850 OH TYR A 59 -3.621 -11.323 -0.957 1.00 0.00 O ATOM 0 H TYR A 59 -2.427 -5.093 1.134 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.375 -6.039 -0.761 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.287 -5.221 -1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.235 -5.553 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.381 -7.162 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.174 -7.733 -3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.899 -9.554 0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.696 -10.125 -3.096 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.430 -11.766 -1.810 1.00 0.00 H new ATOM 860 N LEU A 60 -0.121 -3.272 -0.004 1.00 0.00 N ATOM 861 CA LEU A 60 0.333 -1.906 -0.238 1.00 0.00 C ATOM 862 C LEU A 60 1.736 -1.694 0.323 1.00 0.00 C ATOM 863 O LEU A 60 2.083 -2.238 1.371 1.00 0.00 O ATOM 864 CB LEU A 60 -0.638 -0.909 0.397 1.00 0.00 C ATOM 865 CG LEU A 60 -2.018 -0.808 -0.255 1.00 0.00 C ATOM 866 CD1 LEU A 60 -2.966 -0.007 0.624 1.00 0.00 C ATOM 867 CD2 LEU A 60 -1.910 -0.181 -1.637 1.00 0.00 C ATOM 0 H LEU A 60 0.123 -3.646 0.913 1.00 0.00 H new ATOM 0 HA LEU A 60 0.363 -1.739 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.772 -1.180 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.177 0.078 0.379 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.421 -1.815 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.943 0.054 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.067 -0.498 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.568 0.998 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.901 -0.117 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.486 0.819 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.266 -0.795 -2.266 1.00 0.00 H new ATOM 879 N GLU A 61 2.536 -0.900 -0.381 1.00 0.00 N ATOM 880 CA GLU A 61 3.900 -0.616 0.049 1.00 0.00 C ATOM 881 C GLU A 61 4.094 0.878 0.292 1.00 0.00 C ATOM 882 O GLU A 61 4.017 1.685 -0.635 1.00 0.00 O ATOM 883 CB GLU A 61 4.901 -1.107 -0.999 1.00 0.00 C ATOM 884 CG GLU A 61 6.348 -0.805 -0.647 1.00 0.00 C ATOM 885 CD GLU A 61 6.764 -1.407 0.681 1.00 0.00 C ATOM 886 OE1 GLU A 61 7.058 -2.620 0.717 1.00 0.00 O ATOM 887 OE2 GLU A 61 6.796 -0.664 1.684 1.00 0.00 O ATOM 0 H GLU A 61 2.264 -0.442 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 61 4.076 -1.145 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.784 -2.183 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.665 -0.646 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.997 -1.188 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.492 0.275 -0.613 1.00 0.00 H new ATOM 894 N LYS A 62 4.346 1.240 1.545 1.00 0.00 N ATOM 895 CA LYS A 62 4.552 2.636 1.913 1.00 0.00 C ATOM 896 C LYS A 62 5.902 3.137 1.411 1.00 0.00 C ATOM 897 O LYS A 62 6.946 2.821 1.984 1.00 0.00 O ATOM 898 CB LYS A 62 4.467 2.803 3.432 1.00 0.00 C ATOM 899 CG LYS A 62 3.992 4.178 3.867 1.00 0.00 C ATOM 900 CD LYS A 62 5.154 5.140 4.044 1.00 0.00 C ATOM 901 CE LYS A 62 5.936 4.841 5.314 1.00 0.00 C ATOM 902 NZ LYS A 62 7.171 5.668 5.413 1.00 0.00 N ATOM 0 H LYS A 62 4.413 0.585 2.324 1.00 0.00 H new ATOM 0 HA LYS A 62 3.767 3.229 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.790 2.050 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.449 2.613 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.299 4.576 3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.442 4.094 4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.818 5.073 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.779 6.163 4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.304 5.027 6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.204 3.785 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.007 5.059 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.166 6.390 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.204 6.133 6.343 1.00 0.00 H new ATOM 916 N LEU A 63 5.875 3.921 0.338 1.00 0.00 N ATOM 917 CA LEU A 63 7.098 4.467 -0.241 1.00 0.00 C ATOM 918 C LEU A 63 7.787 5.413 0.737 1.00 0.00 C ATOM 919 O LEU A 63 7.493 6.608 0.773 1.00 0.00 O ATOM 920 CB LEU A 63 6.783 5.203 -1.544 1.00 0.00 C ATOM 921 CG LEU A 63 6.201 4.351 -2.673 1.00 0.00 C ATOM 922 CD1 LEU A 63 5.390 5.212 -3.629 1.00 0.00 C ATOM 923 CD2 LEU A 63 7.311 3.623 -3.418 1.00 0.00 C ATOM 0 H LEU A 63 5.020 4.192 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 63 7.773 3.638 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.080 6.007 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.699 5.671 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 63 5.536 3.607 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.984 4.588 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.572 5.686 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.032 5.980 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.879 3.022 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.001 4.351 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.849 2.974 -2.726 1.00 0.00 H new ATOM 935 N SER A 64 8.708 4.871 1.527 1.00 0.00 N ATOM 936 CA SER A 64 9.439 5.667 2.507 1.00 0.00 C ATOM 937 C SER A 64 9.769 7.048 1.948 1.00 0.00 C ATOM 938 O SER A 64 9.642 8.056 2.640 1.00 0.00 O ATOM 939 CB SER A 64 10.727 4.950 2.918 1.00 0.00 C ATOM 940 OG SER A 64 11.414 4.446 1.787 1.00 0.00 O ATOM 0 H SER A 64 8.966 3.884 1.508 1.00 0.00 H new ATOM 0 HA SER A 64 8.804 5.791 3.384 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.373 5.639 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.490 4.132 3.598 1.00 0.00 H new ATOM 0 HG SER A 64 12.234 3.994 2.077 1.00 0.00 H new ATOM 946 N GLY A 65 10.194 7.084 0.688 1.00 0.00 N ATOM 947 CA GLY A 65 10.536 8.345 0.057 1.00 0.00 C ATOM 948 C GLY A 65 12.027 8.497 -0.164 1.00 0.00 C ATOM 949 O GLY A 65 12.707 9.245 0.538 1.00 0.00 O ATOM 0 H GLY A 65 10.307 6.263 0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.020 8.420 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.178 9.167 0.677 1.00 0.00 H new ATOM 953 N PRO A 66 12.559 7.773 -1.160 1.00 0.00 N ATOM 954 CA PRO A 66 13.986 7.813 -1.494 1.00 0.00 C ATOM 955 C PRO A 66 14.400 9.145 -2.109 1.00 0.00 C ATOM 956 O PRO A 66 13.634 9.763 -2.848 1.00 0.00 O ATOM 957 CB PRO A 66 14.144 6.681 -2.512 1.00 0.00 C ATOM 958 CG PRO A 66 12.794 6.531 -3.124 1.00 0.00 C ATOM 959 CD PRO A 66 11.808 6.860 -2.038 1.00 0.00 C ATOM 0 HA PRO A 66 14.615 7.701 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 66 14.894 6.926 -3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.465 5.757 -2.030 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.675 7.201 -3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.644 5.517 -3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.912 7.334 -2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.484 5.966 -1.505 1.00 0.00 H new ATOM 967 N SER A 67 15.617 9.582 -1.800 1.00 0.00 N ATOM 968 CA SER A 67 16.131 10.843 -2.321 1.00 0.00 C ATOM 969 C SER A 67 17.382 10.613 -3.164 1.00 0.00 C ATOM 970 O SER A 67 17.997 9.548 -3.104 1.00 0.00 O ATOM 971 CB SER A 67 16.446 11.803 -1.172 1.00 0.00 C ATOM 972 OG SER A 67 16.812 13.082 -1.661 1.00 0.00 O ATOM 0 H SER A 67 16.265 9.081 -1.192 1.00 0.00 H new ATOM 0 HA SER A 67 15.363 11.286 -2.955 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.576 11.894 -0.522 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.256 11.397 -0.566 1.00 0.00 H new ATOM 0 HG SER A 67 17.007 13.677 -0.907 1.00 0.00 H new ATOM 978 N SER A 68 17.753 11.620 -3.948 1.00 0.00 N ATOM 979 CA SER A 68 18.928 11.527 -4.807 1.00 0.00 C ATOM 980 C SER A 68 20.142 12.164 -4.137 1.00 0.00 C ATOM 981 O SER A 68 21.229 11.589 -4.120 1.00 0.00 O ATOM 982 CB SER A 68 18.659 12.206 -6.151 1.00 0.00 C ATOM 983 OG SER A 68 17.952 11.344 -7.025 1.00 0.00 O ATOM 0 H SER A 68 17.257 12.509 -4.006 1.00 0.00 H new ATOM 0 HA SER A 68 19.140 10.472 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 68 18.085 13.119 -5.992 1.00 0.00 H new ATOM 0 HB3 SER A 68 19.603 12.499 -6.609 1.00 0.00 H new ATOM 0 HG SER A 68 17.791 11.802 -7.876 1.00 0.00 H new ATOM 989 N GLY A 69 19.947 13.358 -3.585 1.00 0.00 N ATOM 990 CA GLY A 69 21.033 14.055 -2.921 1.00 0.00 C ATOM 991 C GLY A 69 21.089 15.525 -3.287 1.00 0.00 C ATOM 992 O GLY A 69 20.345 16.337 -2.738 1.00 0.00 O ATOM 0 H GLY A 69 19.056 13.855 -3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 69 20.917 13.957 -1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 69 21.979 13.582 -3.185 1.00 0.00 H new TER 996 GLY A 69