USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 390 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 Single : A 21 LYS NZ :NH3+ 168:sc= -1.1 (180deg=-1.55) USER MOD Single : A 25 THR OG1 : rot 64:sc= 0.238 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 30 LYS NZ :NH3+ 137:sc= -3.18! (180deg=-5.82!) USER MOD Single : A 34 LYS NZ :NH3+ 137:sc= -3.2 (180deg=-5.66!) USER MOD Single : A 43 LYS NZ :NH3+ -141:sc= -0.236 (180deg=-1.09) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 48 ASN : amide:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 49 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.19) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0811) USER MOD Single : A 56 THR OG1 : rot 57:sc= 0.735 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 56:sc= 0.126 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -4.09! C(o=-4.1!,f=-5.2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 0.715 19.677 -5.690 1.00 0.00 N ATOM 2 CA LYS A 21 -0.103 18.426 -5.690 1.00 0.00 C ATOM 3 C LYS A 21 -0.342 18.060 -7.143 1.00 0.00 C ATOM 4 O LYS A 21 -0.409 16.918 -7.527 1.00 0.00 O ATOM 5 CB LYS A 21 -1.449 18.671 -4.953 1.00 0.00 C ATOM 6 CG LYS A 21 -1.471 17.970 -3.569 1.00 0.00 C ATOM 7 CD LYS A 21 -2.070 16.548 -3.685 1.00 0.00 C ATOM 8 CE LYS A 21 -3.590 16.588 -3.467 1.00 0.00 C ATOM 9 NZ LYS A 21 -4.233 17.385 -4.549 1.00 0.00 N ATOM 0 HA LYS A 21 0.409 17.616 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.605 19.742 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.273 18.301 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.459 17.912 -3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.058 18.561 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.848 16.132 -4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.608 15.891 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.993 15.575 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.816 17.027 -2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.263 17.244 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.017 18.393 -4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.868 17.075 -5.472 1.00 0.00 H new ATOM 23 N LEU A 22 -0.444 19.064 -7.927 1.00 0.00 N ATOM 24 CA LEU A 22 -0.667 18.929 -9.383 1.00 0.00 C ATOM 25 C LEU A 22 0.223 17.839 -10.006 1.00 0.00 C ATOM 26 O LEU A 22 -0.267 16.866 -10.546 1.00 0.00 O ATOM 27 CB LEU A 22 -0.291 20.294 -9.946 1.00 0.00 C ATOM 28 CG LEU A 22 0.002 20.245 -11.450 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.172 19.597 -12.197 1.00 0.00 C ATOM 30 CD2 LEU A 22 0.202 21.674 -11.964 1.00 0.00 C ATOM 0 H LEU A 22 -0.380 20.031 -7.609 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.693 18.636 -9.604 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.103 20.997 -9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.586 20.672 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 22 0.901 19.654 -11.623 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.952 19.568 -13.264 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.321 18.582 -11.829 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.077 20.181 -12.029 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.411 21.650 -13.033 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.702 22.255 -11.784 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.040 22.135 -11.441 1.00 0.00 H new ATOM 42 N LEU A 23 1.522 17.999 -9.964 1.00 0.00 N ATOM 43 CA LEU A 23 2.418 16.983 -10.583 1.00 0.00 C ATOM 44 C LEU A 23 2.660 15.906 -9.556 1.00 0.00 C ATOM 45 O LEU A 23 2.673 14.724 -9.842 1.00 0.00 O ATOM 46 CB LEU A 23 3.738 17.662 -10.991 1.00 0.00 C ATOM 47 CG LEU A 23 4.306 17.021 -12.277 1.00 0.00 C ATOM 48 CD1 LEU A 23 3.651 17.652 -13.512 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.821 17.248 -12.345 1.00 0.00 C ATOM 0 H LEU A 23 1.997 18.789 -9.528 1.00 0.00 H new ATOM 0 HA LEU A 23 1.971 16.544 -11.475 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.570 18.727 -11.153 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.464 17.573 -10.183 1.00 0.00 H new ATOM 0 HG LEU A 23 4.094 15.952 -12.258 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.058 17.194 -14.414 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.574 17.489 -13.476 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.855 18.723 -13.525 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.217 16.794 -13.254 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.029 18.318 -12.354 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.296 16.793 -11.476 1.00 0.00 H new ATOM 61 N ILE A 24 2.819 16.327 -8.350 1.00 0.00 N ATOM 62 CA ILE A 24 3.029 15.379 -7.240 1.00 0.00 C ATOM 63 C ILE A 24 1.876 14.375 -7.303 1.00 0.00 C ATOM 64 O ILE A 24 1.953 13.273 -6.796 1.00 0.00 O ATOM 65 CB ILE A 24 3.024 16.166 -5.904 1.00 0.00 C ATOM 66 CG1 ILE A 24 3.200 17.681 -6.196 1.00 0.00 C ATOM 67 CG2 ILE A 24 4.162 15.671 -4.997 1.00 0.00 C ATOM 68 CD1 ILE A 24 3.576 18.430 -4.913 1.00 0.00 C ATOM 0 H ILE A 24 2.813 17.310 -8.078 1.00 0.00 H new ATOM 0 HA ILE A 24 3.982 14.855 -7.312 1.00 0.00 H new ATOM 0 HB ILE A 24 2.074 16.004 -5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.974 17.825 -6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.276 18.089 -6.606 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.150 16.230 -4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.025 14.610 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.118 15.822 -5.498 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.696 19.491 -5.133 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.788 18.300 -4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.512 18.033 -4.521 1.00 0.00 H new ATOM 80 N THR A 25 0.811 14.763 -7.965 1.00 0.00 N ATOM 81 CA THR A 25 -0.360 13.855 -8.121 1.00 0.00 C ATOM 82 C THR A 25 -0.230 13.120 -9.455 1.00 0.00 C ATOM 83 O THR A 25 -0.488 11.938 -9.548 1.00 0.00 O ATOM 84 CB THR A 25 -1.654 14.677 -8.123 1.00 0.00 C ATOM 85 OG1 THR A 25 -1.866 15.225 -6.830 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.838 13.781 -8.494 1.00 0.00 C ATOM 0 H THR A 25 0.707 15.677 -8.405 1.00 0.00 H new ATOM 0 HA THR A 25 -0.389 13.143 -7.297 1.00 0.00 H new ATOM 0 HB THR A 25 -1.568 15.481 -8.854 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.146 15.855 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.755 14.371 -8.494 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.678 13.359 -9.486 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.926 12.974 -7.767 1.00 0.00 H new ATOM 94 N ILE A 26 0.177 13.808 -10.493 1.00 0.00 N ATOM 95 CA ILE A 26 0.325 13.132 -11.813 1.00 0.00 C ATOM 96 C ILE A 26 1.556 12.265 -11.780 1.00 0.00 C ATOM 97 O ILE A 26 1.540 11.091 -12.090 1.00 0.00 O ATOM 98 CB ILE A 26 0.499 14.181 -12.909 1.00 0.00 C ATOM 99 CG1 ILE A 26 -0.768 15.043 -13.003 1.00 0.00 C ATOM 100 CG2 ILE A 26 0.751 13.484 -14.251 1.00 0.00 C ATOM 101 CD1 ILE A 26 -0.441 16.369 -13.693 1.00 0.00 C ATOM 0 H ILE A 26 0.411 14.801 -10.482 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.561 12.530 -12.015 1.00 0.00 H new ATOM 0 HB ILE A 26 1.350 14.818 -12.669 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.540 14.512 -13.561 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.167 15.230 -12.006 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.875 14.234 -15.033 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.655 12.878 -14.182 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.097 12.844 -14.493 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.343 16.978 -13.758 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.316 16.902 -13.117 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.063 16.173 -14.696 1.00 0.00 H new ATOM 113 N HIS A 27 2.618 12.863 -11.401 1.00 0.00 N ATOM 114 CA HIS A 27 3.903 12.147 -11.320 1.00 0.00 C ATOM 115 C HIS A 27 3.729 10.915 -10.424 1.00 0.00 C ATOM 116 O HIS A 27 4.582 10.051 -10.369 1.00 0.00 O ATOM 117 CB HIS A 27 4.949 13.112 -10.737 1.00 0.00 C ATOM 118 CG HIS A 27 6.295 12.858 -11.355 1.00 0.00 C ATOM 119 ND1 HIS A 27 7.356 12.316 -10.647 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.758 13.070 -12.627 1.00 0.00 C ATOM 121 CE1 HIS A 27 8.399 12.222 -11.494 1.00 0.00 C ATOM 122 NE2 HIS A 27 8.087 12.669 -12.714 1.00 0.00 N ATOM 0 H HIS A 27 2.660 13.847 -11.134 1.00 0.00 H new ATOM 0 HA HIS A 27 4.234 11.812 -12.303 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.645 14.143 -10.921 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.008 12.985 -9.656 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.179 13.485 -13.439 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.369 11.833 -11.221 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.693 12.708 -13.533 1.00 0.00 H new ATOM 130 N ASP A 28 2.624 10.837 -9.719 1.00 0.00 N ATOM 131 CA ASP A 28 2.369 9.671 -8.814 1.00 0.00 C ATOM 132 C ASP A 28 1.181 8.850 -9.330 1.00 0.00 C ATOM 133 O ASP A 28 1.191 7.637 -9.269 1.00 0.00 O ATOM 134 CB ASP A 28 2.049 10.181 -7.408 1.00 0.00 C ATOM 135 CG ASP A 28 3.263 10.920 -6.844 1.00 0.00 C ATOM 136 OD1 ASP A 28 4.151 11.237 -7.617 1.00 0.00 O ATOM 137 OD2 ASP A 28 3.283 11.157 -5.647 1.00 0.00 O ATOM 0 H ASP A 28 1.883 11.537 -9.733 1.00 0.00 H new ATOM 0 HA ASP A 28 3.258 9.041 -8.791 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.187 10.847 -7.439 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.784 9.347 -6.759 1.00 0.00 H new ATOM 142 N ARG A 29 0.149 9.487 -9.824 1.00 0.00 N ATOM 143 CA ARG A 29 -1.021 8.702 -10.315 1.00 0.00 C ATOM 144 C ARG A 29 -0.534 7.623 -11.282 1.00 0.00 C ATOM 145 O ARG A 29 -1.245 6.692 -11.601 1.00 0.00 O ATOM 146 CB ARG A 29 -2.055 9.619 -11.001 1.00 0.00 C ATOM 147 CG ARG A 29 -1.650 9.927 -12.455 1.00 0.00 C ATOM 148 CD ARG A 29 -2.551 11.026 -13.056 1.00 0.00 C ATOM 149 NE ARG A 29 -3.558 10.377 -13.928 1.00 0.00 N ATOM 150 CZ ARG A 29 -4.608 11.041 -14.326 1.00 0.00 C ATOM 151 NH1 ARG A 29 -4.777 12.279 -13.951 1.00 0.00 N ATOM 152 NH2 ARG A 29 -5.490 10.467 -15.098 1.00 0.00 N ATOM 0 H ARG A 29 0.067 10.500 -9.907 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.513 8.231 -9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.034 9.141 -10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.147 10.550 -10.442 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.609 10.247 -12.487 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.723 9.021 -13.057 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.042 11.590 -12.263 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.954 11.736 -13.629 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.430 9.408 -14.218 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.088 12.727 -13.347 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.598 12.799 -14.262 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.359 9.499 -15.390 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.311 10.987 -15.409 1.00 0.00 H new ATOM 166 N LYS A 30 0.675 7.742 -11.749 1.00 0.00 N ATOM 167 CA LYS A 30 1.203 6.720 -12.692 1.00 0.00 C ATOM 168 C LYS A 30 1.082 5.352 -12.030 1.00 0.00 C ATOM 169 O LYS A 30 0.539 4.427 -12.596 1.00 0.00 O ATOM 170 CB LYS A 30 2.668 7.020 -13.032 1.00 0.00 C ATOM 171 CG LYS A 30 3.506 7.074 -11.751 1.00 0.00 C ATOM 172 CD LYS A 30 4.824 7.806 -12.027 1.00 0.00 C ATOM 173 CE LYS A 30 5.615 7.059 -13.104 1.00 0.00 C ATOM 174 NZ LYS A 30 5.040 7.366 -14.444 1.00 0.00 N ATOM 0 H LYS A 30 1.319 8.499 -11.520 1.00 0.00 H new ATOM 0 HA LYS A 30 0.632 6.736 -13.620 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.059 6.252 -13.699 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.739 7.970 -13.562 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.952 7.586 -10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.707 6.064 -11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.623 8.827 -12.353 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.412 7.873 -11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.664 7.354 -13.070 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.579 5.986 -12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.810 7.536 -15.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.466 6.562 -14.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.442 8.215 -14.379 1.00 0.00 H new ATOM 188 N GLU A 31 1.555 5.223 -10.820 1.00 0.00 N ATOM 189 CA GLU A 31 1.430 3.920 -10.116 1.00 0.00 C ATOM 190 C GLU A 31 -0.047 3.699 -9.801 1.00 0.00 C ATOM 191 O GLU A 31 -0.595 2.639 -10.031 1.00 0.00 O ATOM 192 CB GLU A 31 2.229 3.954 -8.810 1.00 0.00 C ATOM 193 CG GLU A 31 3.572 4.646 -9.045 1.00 0.00 C ATOM 194 CD GLU A 31 4.507 4.363 -7.867 1.00 0.00 C ATOM 195 OE1 GLU A 31 5.138 3.319 -7.873 1.00 0.00 O ATOM 196 OE2 GLU A 31 4.574 5.196 -6.977 1.00 0.00 O ATOM 0 H GLU A 31 2.020 5.962 -10.292 1.00 0.00 H new ATOM 0 HA GLU A 31 1.816 3.115 -10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.666 4.484 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.391 2.940 -8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.020 4.288 -9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.425 5.720 -9.156 1.00 0.00 H new ATOM 203 N PHE A 32 -0.696 4.708 -9.285 1.00 0.00 N ATOM 204 CA PHE A 32 -2.140 4.578 -8.962 1.00 0.00 C ATOM 205 C PHE A 32 -2.861 4.079 -10.199 1.00 0.00 C ATOM 206 O PHE A 32 -3.562 3.087 -10.185 1.00 0.00 O ATOM 207 CB PHE A 32 -2.695 5.948 -8.533 1.00 0.00 C ATOM 208 CG PHE A 32 -3.863 5.766 -7.587 1.00 0.00 C ATOM 209 CD1 PHE A 32 -5.160 5.626 -8.095 1.00 0.00 C ATOM 210 CD2 PHE A 32 -3.646 5.736 -6.204 1.00 0.00 C ATOM 211 CE1 PHE A 32 -6.240 5.457 -7.220 1.00 0.00 C ATOM 212 CE2 PHE A 32 -4.726 5.566 -5.330 1.00 0.00 C ATOM 213 CZ PHE A 32 -6.023 5.427 -5.838 1.00 0.00 C ATOM 0 H PHE A 32 -0.285 5.617 -9.074 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.288 3.874 -8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.912 6.530 -8.047 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.013 6.511 -9.411 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.328 5.648 -9.162 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.646 5.844 -5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.241 5.350 -7.612 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.559 5.542 -4.263 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.856 5.297 -5.163 1.00 0.00 H new ATOM 223 N ALA A 33 -2.668 4.766 -11.267 1.00 0.00 N ATOM 224 CA ALA A 33 -3.307 4.363 -12.548 1.00 0.00 C ATOM 225 C ALA A 33 -2.775 2.991 -12.973 1.00 0.00 C ATOM 226 O ALA A 33 -3.370 2.314 -13.782 1.00 0.00 O ATOM 227 CB ALA A 33 -2.983 5.395 -13.629 1.00 0.00 C ATOM 0 H ALA A 33 -2.088 5.604 -11.320 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.387 4.308 -12.414 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.452 5.099 -14.567 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.363 6.371 -13.326 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.903 5.452 -13.765 1.00 0.00 H new ATOM 233 N LYS A 34 -1.640 2.582 -12.462 1.00 0.00 N ATOM 234 CA LYS A 34 -1.074 1.258 -12.873 1.00 0.00 C ATOM 235 C LYS A 34 -1.659 0.111 -12.038 1.00 0.00 C ATOM 236 O LYS A 34 -2.297 -0.776 -12.570 1.00 0.00 O ATOM 237 CB LYS A 34 0.449 1.278 -12.706 1.00 0.00 C ATOM 238 CG LYS A 34 1.059 0.056 -13.398 1.00 0.00 C ATOM 239 CD LYS A 34 2.527 -0.094 -12.980 1.00 0.00 C ATOM 240 CE LYS A 34 3.343 1.105 -13.480 1.00 0.00 C ATOM 241 NZ LYS A 34 3.181 2.245 -12.534 1.00 0.00 N ATOM 0 H LYS A 34 -1.084 3.102 -11.783 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.338 1.089 -13.917 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.860 2.193 -13.133 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.709 1.276 -11.647 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.501 -0.842 -13.131 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.988 0.165 -14.480 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.599 -0.165 -11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.937 -1.018 -13.388 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.395 0.833 -13.562 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.010 1.395 -14.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.104 2.697 -12.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.521 2.940 -12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.805 1.895 -11.630 1.00 0.00 H new ATOM 255 N PHE A 35 -1.435 0.087 -10.746 1.00 0.00 N ATOM 256 CA PHE A 35 -1.980 -1.052 -9.945 1.00 0.00 C ATOM 257 C PHE A 35 -3.482 -1.180 -10.201 1.00 0.00 C ATOM 258 O PHE A 35 -4.100 -2.172 -9.887 1.00 0.00 O ATOM 259 CB PHE A 35 -1.656 -0.870 -8.441 1.00 0.00 C ATOM 260 CG PHE A 35 -2.752 -0.120 -7.707 1.00 0.00 C ATOM 261 CD1 PHE A 35 -3.939 -0.775 -7.354 1.00 0.00 C ATOM 262 CD2 PHE A 35 -2.571 1.224 -7.367 1.00 0.00 C ATOM 263 CE1 PHE A 35 -4.943 -0.084 -6.666 1.00 0.00 C ATOM 264 CE2 PHE A 35 -3.576 1.915 -6.677 1.00 0.00 C ATOM 265 CZ PHE A 35 -4.762 1.261 -6.328 1.00 0.00 C ATOM 0 H PHE A 35 -0.912 0.789 -10.222 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.503 -1.981 -10.258 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.515 -1.848 -7.980 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.715 -0.330 -8.336 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.079 -1.814 -7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.656 1.730 -7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.858 -0.590 -6.396 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.435 2.953 -6.415 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.537 1.794 -5.798 1.00 0.00 H new ATOM 275 N GLU A 36 -4.064 -0.197 -10.807 1.00 0.00 N ATOM 276 CA GLU A 36 -5.514 -0.274 -11.119 1.00 0.00 C ATOM 277 C GLU A 36 -5.802 -1.598 -11.824 1.00 0.00 C ATOM 278 O GLU A 36 -6.865 -2.176 -11.713 1.00 0.00 O ATOM 279 CB GLU A 36 -5.882 0.934 -11.995 1.00 0.00 C ATOM 280 CG GLU A 36 -5.602 0.638 -13.459 1.00 0.00 C ATOM 281 CD GLU A 36 -5.878 1.887 -14.300 1.00 0.00 C ATOM 282 OE1 GLU A 36 -6.276 2.887 -13.726 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.686 1.822 -15.502 1.00 0.00 O ATOM 0 H GLU A 36 -3.600 0.662 -11.103 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.119 -0.242 -10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.936 1.178 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.311 1.807 -11.679 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.566 0.325 -13.585 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.228 -0.187 -13.799 1.00 0.00 H new ATOM 290 N GLU A 37 -4.848 -2.049 -12.565 1.00 0.00 N ATOM 291 CA GLU A 37 -4.997 -3.320 -13.336 1.00 0.00 C ATOM 292 C GLU A 37 -5.074 -4.537 -12.399 1.00 0.00 C ATOM 293 O GLU A 37 -5.564 -5.582 -12.780 1.00 0.00 O ATOM 294 CB GLU A 37 -3.794 -3.483 -14.268 1.00 0.00 C ATOM 295 CG GLU A 37 -4.049 -4.642 -15.234 1.00 0.00 C ATOM 296 CD GLU A 37 -2.955 -4.666 -16.303 1.00 0.00 C ATOM 297 OE1 GLU A 37 -2.831 -3.685 -17.017 1.00 0.00 O ATOM 298 OE2 GLU A 37 -2.260 -5.664 -16.389 1.00 0.00 O ATOM 0 H GLU A 37 -3.946 -1.588 -12.679 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.923 -3.268 -13.908 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.625 -2.562 -14.825 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.892 -3.673 -13.685 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.061 -5.587 -14.690 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.027 -4.531 -15.702 1.00 0.00 H new ATOM 305 N GLU A 38 -4.587 -4.429 -11.192 1.00 0.00 N ATOM 306 CA GLU A 38 -4.631 -5.599 -10.267 1.00 0.00 C ATOM 307 C GLU A 38 -6.086 -5.880 -9.855 1.00 0.00 C ATOM 308 O GLU A 38 -6.586 -6.978 -10.004 1.00 0.00 O ATOM 309 CB GLU A 38 -3.769 -5.276 -9.022 1.00 0.00 C ATOM 310 CG GLU A 38 -2.464 -6.085 -9.043 1.00 0.00 C ATOM 311 CD GLU A 38 -1.727 -5.828 -10.359 1.00 0.00 C ATOM 312 OE1 GLU A 38 -1.195 -4.740 -10.515 1.00 0.00 O ATOM 313 OE2 GLU A 38 -1.705 -6.723 -11.188 1.00 0.00 O ATOM 0 H GLU A 38 -4.162 -3.585 -10.807 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.237 -6.486 -10.762 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.542 -4.210 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.330 -5.504 -8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.834 -5.802 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.681 -7.148 -8.936 1.00 0.00 H new ATOM 320 N ARG A 39 -6.759 -4.895 -9.328 1.00 0.00 N ATOM 321 CA ARG A 39 -8.177 -5.075 -8.881 1.00 0.00 C ATOM 322 C ARG A 39 -9.112 -4.586 -9.951 1.00 0.00 C ATOM 323 O ARG A 39 -10.262 -4.424 -9.676 1.00 0.00 O ATOM 324 CB ARG A 39 -8.494 -4.333 -7.570 1.00 0.00 C ATOM 325 CG ARG A 39 -7.211 -4.037 -6.773 1.00 0.00 C ATOM 326 CD ARG A 39 -7.467 -2.817 -5.927 1.00 0.00 C ATOM 327 NE ARG A 39 -8.612 -3.104 -5.003 1.00 0.00 N ATOM 328 CZ ARG A 39 -8.874 -2.283 -4.021 1.00 0.00 C ATOM 329 NH1 ARG A 39 -8.141 -1.215 -3.855 1.00 0.00 N ATOM 330 NH2 ARG A 39 -9.865 -2.525 -3.208 1.00 0.00 N ATOM 0 H ARG A 39 -6.384 -3.957 -9.184 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.313 -6.141 -8.698 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.010 -3.399 -7.793 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.171 -4.934 -6.964 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.946 -4.888 -6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.373 -3.865 -7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.575 -2.560 -5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.698 -1.960 -6.560 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.184 -3.937 -5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.367 -1.024 -4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.343 -0.572 -3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.439 -3.358 -3.338 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.066 -1.881 -2.443 1.00 0.00 H new ATOM 344 N ALA A 40 -8.626 -4.317 -11.129 1.00 0.00 N ATOM 345 CA ALA A 40 -9.480 -3.809 -12.300 1.00 0.00 C ATOM 346 C ALA A 40 -10.982 -4.178 -12.186 1.00 0.00 C ATOM 347 O ALA A 40 -11.733 -4.133 -13.137 1.00 0.00 O ATOM 348 CB ALA A 40 -8.920 -4.379 -13.608 1.00 0.00 C ATOM 0 H ALA A 40 -7.639 -4.425 -11.361 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.426 -2.721 -12.280 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.520 -4.024 -14.446 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.888 -4.051 -13.736 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.953 -5.468 -13.574 1.00 0.00 H new ATOM 354 N ARG A 41 -11.378 -4.539 -11.036 1.00 0.00 N ATOM 355 CA ARG A 41 -12.739 -4.915 -10.698 1.00 0.00 C ATOM 356 C ARG A 41 -13.419 -3.687 -10.099 1.00 0.00 C ATOM 357 O ARG A 41 -14.619 -3.605 -10.001 1.00 0.00 O ATOM 358 CB ARG A 41 -12.584 -5.973 -9.635 1.00 0.00 C ATOM 359 CG ARG A 41 -11.777 -7.192 -10.194 1.00 0.00 C ATOM 360 CD ARG A 41 -10.730 -7.716 -9.176 1.00 0.00 C ATOM 361 NE ARG A 41 -9.444 -8.032 -9.885 1.00 0.00 N ATOM 362 CZ ARG A 41 -9.428 -8.718 -11.000 1.00 0.00 C ATOM 363 NH1 ARG A 41 -10.523 -9.253 -11.467 1.00 0.00 N ATOM 364 NH2 ARG A 41 -8.300 -8.901 -11.629 1.00 0.00 N ATOM 0 H ARG A 41 -10.745 -4.593 -10.238 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.323 -5.270 -11.547 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.071 -5.555 -8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.566 -6.303 -9.295 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.467 -7.996 -10.450 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.272 -6.900 -11.115 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.555 -6.968 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.109 -8.608 -8.677 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.563 -7.705 -9.489 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.402 -9.138 -10.962 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.500 -9.786 -12.337 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.437 -8.511 -11.252 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.281 -9.435 -12.498 1.00 0.00 H new ATOM 378 N ALA A 42 -12.624 -2.733 -9.682 1.00 0.00 N ATOM 379 CA ALA A 42 -13.177 -1.500 -9.048 1.00 0.00 C ATOM 380 C ALA A 42 -14.003 -0.706 -10.037 1.00 0.00 C ATOM 381 O ALA A 42 -14.491 0.370 -9.751 1.00 0.00 O ATOM 382 CB ALA A 42 -12.041 -0.635 -8.499 1.00 0.00 C ATOM 0 H ALA A 42 -11.607 -2.758 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.826 -1.802 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.456 0.262 -8.039 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.481 -1.200 -7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.375 -0.350 -9.313 1.00 0.00 H new ATOM 388 N LYS A 43 -14.151 -1.240 -11.191 1.00 0.00 N ATOM 389 CA LYS A 43 -14.937 -0.572 -12.269 1.00 0.00 C ATOM 390 C LYS A 43 -16.199 -1.348 -12.521 1.00 0.00 C ATOM 391 O LYS A 43 -17.170 -0.825 -13.034 1.00 0.00 O ATOM 392 CB LYS A 43 -14.107 -0.481 -13.552 1.00 0.00 C ATOM 393 CG LYS A 43 -13.159 -1.705 -13.732 1.00 0.00 C ATOM 394 CD LYS A 43 -11.703 -1.236 -13.928 1.00 0.00 C ATOM 395 CE LYS A 43 -11.547 -0.602 -15.315 1.00 0.00 C ATOM 396 NZ LYS A 43 -11.955 -1.585 -16.360 1.00 0.00 N ATOM 0 H LYS A 43 -13.753 -2.141 -11.457 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.193 0.439 -11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.775 -0.413 -14.410 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.515 0.434 -13.535 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.224 -2.354 -12.859 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.476 -2.295 -14.592 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.436 -0.515 -13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.022 -2.081 -13.825 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.160 0.297 -15.387 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.513 -0.296 -15.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.314 -1.511 -17.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.907 -2.547 -15.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.929 -1.383 -16.665 1.00 0.00 H new ATOM 410 N TRP A 44 -16.210 -2.574 -12.137 1.00 0.00 N ATOM 411 CA TRP A 44 -17.446 -3.386 -12.320 1.00 0.00 C ATOM 412 C TRP A 44 -17.577 -4.364 -11.163 1.00 0.00 C ATOM 413 O TRP A 44 -18.243 -5.376 -11.249 1.00 0.00 O ATOM 414 CB TRP A 44 -17.421 -4.128 -13.649 1.00 0.00 C ATOM 415 CG TRP A 44 -16.064 -4.614 -13.884 1.00 0.00 C ATOM 416 CD1 TRP A 44 -15.191 -3.955 -14.611 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.410 -5.824 -13.423 1.00 0.00 C ATOM 418 NE1 TRP A 44 -13.998 -4.631 -14.606 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.083 -5.801 -13.888 1.00 0.00 C ATOM 420 CE3 TRP A 44 -15.823 -6.916 -12.646 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.185 -6.818 -13.590 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -14.923 -7.957 -12.350 1.00 0.00 C ATOM 423 CH2 TRP A 44 -13.604 -7.903 -12.817 1.00 0.00 C ATOM 0 H TRP A 44 -15.425 -3.060 -11.704 1.00 0.00 H new ATOM 0 HA TRP A 44 -18.309 -2.721 -12.332 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -18.124 -4.961 -13.631 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -17.732 -3.467 -14.458 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -15.382 -3.028 -15.130 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.153 -4.307 -15.076 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -16.836 -6.958 -12.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.169 -6.770 -13.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -15.251 -8.800 -11.761 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -12.913 -8.698 -12.580 1.00 0.00 H new ATOM 434 N ASP A 45 -16.919 -4.067 -10.084 1.00 0.00 N ATOM 435 CA ASP A 45 -16.964 -4.977 -8.901 1.00 0.00 C ATOM 436 C ASP A 45 -16.262 -4.352 -7.709 1.00 0.00 C ATOM 437 O ASP A 45 -16.878 -3.985 -6.733 1.00 0.00 O ATOM 438 CB ASP A 45 -16.259 -6.294 -9.279 1.00 0.00 C ATOM 439 CG ASP A 45 -17.297 -7.408 -9.539 1.00 0.00 C ATOM 440 OD1 ASP A 45 -18.325 -7.408 -8.880 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.037 -8.250 -10.380 1.00 0.00 O ATOM 0 H ASP A 45 -16.348 -3.231 -9.965 1.00 0.00 H new ATOM 0 HA ASP A 45 -18.003 -5.159 -8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.648 -6.144 -10.169 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.586 -6.596 -8.477 1.00 0.00 H new ATOM 446 N THR A 46 -14.979 -4.297 -7.784 1.00 0.00 N ATOM 447 CA THR A 46 -14.149 -3.770 -6.670 1.00 0.00 C ATOM 448 C THR A 46 -14.013 -4.874 -5.668 1.00 0.00 C ATOM 449 O THR A 46 -12.959 -5.109 -5.130 1.00 0.00 O ATOM 450 CB THR A 46 -14.768 -2.483 -6.049 1.00 0.00 C ATOM 451 OG1 THR A 46 -13.749 -1.497 -5.947 1.00 0.00 O ATOM 452 CG2 THR A 46 -15.351 -2.718 -4.640 1.00 0.00 C ATOM 0 H THR A 46 -14.444 -4.604 -8.596 1.00 0.00 H new ATOM 0 HA THR A 46 -13.166 -3.468 -7.032 1.00 0.00 H new ATOM 0 HB THR A 46 -15.584 -2.167 -6.699 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.123 -0.679 -5.559 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.768 -1.786 -4.259 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.136 -3.472 -4.692 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.561 -3.062 -3.972 1.00 0.00 H new ATOM 460 N ALA A 47 -15.077 -5.565 -5.441 1.00 0.00 N ATOM 461 CA ALA A 47 -15.042 -6.702 -4.479 1.00 0.00 C ATOM 462 C ALA A 47 -15.094 -8.017 -5.219 1.00 0.00 C ATOM 463 O ALA A 47 -14.387 -8.941 -4.878 1.00 0.00 O ATOM 464 CB ALA A 47 -16.216 -6.601 -3.505 1.00 0.00 C ATOM 0 H ALA A 47 -15.982 -5.397 -5.880 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.110 -6.655 -3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -16.182 -7.437 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.151 -5.663 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -17.153 -6.631 -4.061 1.00 0.00 H new ATOM 470 N ASN A 48 -15.920 -8.101 -6.225 1.00 0.00 N ATOM 471 CA ASN A 48 -16.044 -9.377 -7.021 1.00 0.00 C ATOM 472 C ASN A 48 -15.859 -10.582 -6.091 1.00 0.00 C ATOM 473 O ASN A 48 -16.771 -11.075 -5.458 1.00 0.00 O ATOM 474 CB ASN A 48 -14.945 -9.409 -8.102 1.00 0.00 C ATOM 475 CG ASN A 48 -13.656 -8.800 -7.539 1.00 0.00 C ATOM 476 OD1 ASN A 48 -13.560 -7.602 -7.372 1.00 0.00 O ATOM 477 ND2 ASN A 48 -12.661 -9.583 -7.226 1.00 0.00 N ATOM 0 H ASN A 48 -16.523 -7.341 -6.540 1.00 0.00 H new ATOM 0 HA ASN A 48 -17.029 -9.419 -7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.765 -10.435 -8.423 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.269 -8.852 -8.981 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.803 -9.188 -6.841 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.741 -10.590 -7.366 1.00 0.00 H new ATOM 484 N ASN A 49 -14.642 -11.009 -6.017 1.00 0.00 N ATOM 485 CA ASN A 49 -14.219 -12.141 -5.162 1.00 0.00 C ATOM 486 C ASN A 49 -13.156 -11.584 -4.198 1.00 0.00 C ATOM 487 O ASN A 49 -12.506 -10.613 -4.532 1.00 0.00 O ATOM 488 CB ASN A 49 -13.582 -13.218 -6.057 1.00 0.00 C ATOM 489 CG ASN A 49 -14.555 -14.369 -6.320 1.00 0.00 C ATOM 490 OD1 ASN A 49 -14.154 -15.448 -6.710 1.00 0.00 O ATOM 491 ND2 ASN A 49 -15.819 -14.177 -6.121 1.00 0.00 N ATOM 0 H ASN A 49 -13.876 -10.593 -6.547 1.00 0.00 H new ATOM 0 HA ASN A 49 -15.056 -12.577 -4.617 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.277 -12.773 -7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.680 -13.603 -5.581 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.483 -14.933 -6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.152 -13.270 -5.794 1.00 0.00 H new ATOM 498 N PRO A 50 -12.989 -12.182 -3.039 1.00 0.00 N ATOM 499 CA PRO A 50 -11.986 -11.691 -2.079 1.00 0.00 C ATOM 500 C PRO A 50 -10.668 -11.446 -2.794 1.00 0.00 C ATOM 501 O PRO A 50 -9.798 -10.743 -2.326 1.00 0.00 O ATOM 502 CB PRO A 50 -11.902 -12.780 -0.990 1.00 0.00 C ATOM 503 CG PRO A 50 -13.022 -13.823 -1.300 1.00 0.00 C ATOM 504 CD PRO A 50 -13.738 -13.373 -2.598 1.00 0.00 C ATOM 0 HA PRO A 50 -12.248 -10.735 -1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.921 -13.255 -0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.042 -12.347 0.000 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.594 -14.818 -1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -13.730 -13.881 -0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.718 -14.157 -3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.786 -13.137 -2.412 1.00 0.00 H new ATOM 512 N LEU A 51 -10.579 -11.968 -3.962 1.00 0.00 N ATOM 513 CA LEU A 51 -9.409 -11.760 -4.842 1.00 0.00 C ATOM 514 C LEU A 51 -8.971 -10.306 -4.760 1.00 0.00 C ATOM 515 O LEU A 51 -7.826 -9.949 -4.569 1.00 0.00 O ATOM 516 CB LEU A 51 -9.977 -11.994 -6.225 1.00 0.00 C ATOM 517 CG LEU A 51 -8.887 -12.268 -7.285 1.00 0.00 C ATOM 518 CD1 LEU A 51 -7.688 -11.326 -7.119 1.00 0.00 C ATOM 519 CD2 LEU A 51 -8.406 -13.721 -7.184 1.00 0.00 C ATOM 0 H LEU A 51 -11.302 -12.561 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.562 -12.397 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.665 -12.839 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.558 -11.122 -6.526 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.331 -12.091 -8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.942 -11.549 -7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.019 -10.293 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.249 -11.466 -6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.638 -13.903 -7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.992 -13.899 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.246 -14.395 -7.353 1.00 0.00 H new ATOM 531 N TYR A 52 -9.953 -9.502 -4.931 1.00 0.00 N ATOM 532 CA TYR A 52 -9.826 -8.037 -4.918 1.00 0.00 C ATOM 533 C TYR A 52 -9.068 -7.679 -3.651 1.00 0.00 C ATOM 534 O TYR A 52 -8.238 -6.792 -3.612 1.00 0.00 O ATOM 535 CB TYR A 52 -11.260 -7.467 -4.932 1.00 0.00 C ATOM 536 CG TYR A 52 -11.587 -6.854 -3.577 1.00 0.00 C ATOM 537 CD1 TYR A 52 -11.244 -5.524 -3.304 1.00 0.00 C ATOM 538 CD2 TYR A 52 -12.208 -7.631 -2.589 1.00 0.00 C ATOM 539 CE1 TYR A 52 -11.525 -4.970 -2.051 1.00 0.00 C ATOM 540 CE2 TYR A 52 -12.492 -7.074 -1.335 1.00 0.00 C ATOM 541 CZ TYR A 52 -12.151 -5.744 -1.067 1.00 0.00 C ATOM 542 OH TYR A 52 -12.427 -5.197 0.169 1.00 0.00 O ATOM 0 H TYR A 52 -10.908 -9.823 -5.091 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.286 -7.628 -5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -11.354 -6.713 -5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.973 -8.258 -5.165 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -10.762 -4.925 -4.062 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -12.468 -8.659 -2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -11.259 -3.944 -1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.974 -7.671 -0.575 1.00 0.00 H new ATOM 0 HH TYR A 52 -12.864 -5.868 0.734 1.00 0.00 H new ATOM 552 N LYS A 53 -9.359 -8.413 -2.619 1.00 0.00 N ATOM 553 CA LYS A 53 -8.687 -8.205 -1.322 1.00 0.00 C ATOM 554 C LYS A 53 -7.373 -8.968 -1.357 1.00 0.00 C ATOM 555 O LYS A 53 -6.451 -8.686 -0.620 1.00 0.00 O ATOM 556 CB LYS A 53 -9.597 -8.730 -0.189 1.00 0.00 C ATOM 557 CG LYS A 53 -9.445 -7.864 1.068 1.00 0.00 C ATOM 558 CD LYS A 53 -7.981 -7.859 1.522 1.00 0.00 C ATOM 559 CE LYS A 53 -7.895 -7.394 2.976 1.00 0.00 C ATOM 560 NZ LYS A 53 -8.377 -5.988 3.077 1.00 0.00 N ATOM 0 H LYS A 53 -10.050 -9.163 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.494 -7.148 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.636 -8.725 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.341 -9.764 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.774 -6.846 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.081 -8.249 1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.556 -8.858 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.394 -7.199 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.497 -8.043 3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.867 -7.464 3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.133 -5.604 4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.926 -5.412 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.409 -5.965 2.952 1.00 0.00 H new ATOM 574 N GLU A 54 -7.283 -9.940 -2.221 1.00 0.00 N ATOM 575 CA GLU A 54 -6.005 -10.728 -2.300 1.00 0.00 C ATOM 576 C GLU A 54 -5.023 -10.014 -3.212 1.00 0.00 C ATOM 577 O GLU A 54 -3.822 -10.131 -3.073 1.00 0.00 O ATOM 578 CB GLU A 54 -6.253 -12.134 -2.844 1.00 0.00 C ATOM 579 CG GLU A 54 -7.317 -12.851 -1.994 1.00 0.00 C ATOM 580 CD GLU A 54 -6.657 -13.524 -0.785 1.00 0.00 C ATOM 581 OE1 GLU A 54 -5.876 -14.437 -0.994 1.00 0.00 O ATOM 582 OE2 GLU A 54 -6.947 -13.113 0.327 1.00 0.00 O ATOM 0 H GLU A 54 -8.019 -10.225 -2.867 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.597 -10.811 -1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.583 -12.078 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.324 -12.705 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.068 -12.136 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.835 -13.596 -2.598 1.00 0.00 H new ATOM 589 N ALA A 55 -5.532 -9.280 -4.143 1.00 0.00 N ATOM 590 CA ALA A 55 -4.643 -8.548 -5.083 1.00 0.00 C ATOM 591 C ALA A 55 -3.682 -7.674 -4.281 1.00 0.00 C ATOM 592 O ALA A 55 -2.573 -7.408 -4.698 1.00 0.00 O ATOM 593 CB ALA A 55 -5.488 -7.677 -6.013 1.00 0.00 C ATOM 0 H ALA A 55 -6.531 -9.150 -4.300 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.074 -9.258 -5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.835 -7.141 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.173 -8.308 -6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.059 -6.961 -5.422 1.00 0.00 H new ATOM 599 N THR A 56 -4.093 -7.237 -3.121 1.00 0.00 N ATOM 600 CA THR A 56 -3.205 -6.400 -2.284 1.00 0.00 C ATOM 601 C THR A 56 -2.233 -7.324 -1.565 1.00 0.00 C ATOM 602 O THR A 56 -1.084 -7.002 -1.338 1.00 0.00 O ATOM 603 CB THR A 56 -4.067 -5.628 -1.273 1.00 0.00 C ATOM 604 OG1 THR A 56 -5.308 -6.301 -1.110 1.00 0.00 O ATOM 605 CG2 THR A 56 -4.328 -4.200 -1.765 1.00 0.00 C ATOM 0 H THR A 56 -5.011 -7.428 -2.721 1.00 0.00 H new ATOM 0 HA THR A 56 -2.647 -5.684 -2.887 1.00 0.00 H new ATOM 0 HB THR A 56 -3.536 -5.579 -0.322 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.145 -7.224 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.940 -3.670 -1.035 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.379 -3.679 -1.890 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.851 -4.234 -2.721 1.00 0.00 H new ATOM 613 N SER A 57 -2.700 -8.478 -1.229 1.00 0.00 N ATOM 614 CA SER A 57 -1.833 -9.466 -0.541 1.00 0.00 C ATOM 615 C SER A 57 -0.809 -9.973 -1.550 1.00 0.00 C ATOM 616 O SER A 57 0.256 -10.439 -1.197 1.00 0.00 O ATOM 617 CB SER A 57 -2.682 -10.633 -0.033 1.00 0.00 C ATOM 618 OG SER A 57 -3.824 -10.124 0.642 1.00 0.00 O ATOM 0 H SER A 57 -3.656 -8.789 -1.401 1.00 0.00 H new ATOM 0 HA SER A 57 -1.332 -9.005 0.310 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.989 -11.264 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.096 -11.258 0.641 1.00 0.00 H new ATOM 0 HG SER A 57 -4.371 -10.869 0.967 1.00 0.00 H new ATOM 624 N THR A 58 -1.125 -9.864 -2.811 1.00 0.00 N ATOM 625 CA THR A 58 -0.188 -10.316 -3.858 1.00 0.00 C ATOM 626 C THR A 58 1.069 -9.462 -3.765 1.00 0.00 C ATOM 627 O THR A 58 2.098 -9.771 -4.333 1.00 0.00 O ATOM 628 CB THR A 58 -0.831 -10.139 -5.237 1.00 0.00 C ATOM 629 OG1 THR A 58 -2.134 -10.705 -5.225 1.00 0.00 O ATOM 630 CG2 THR A 58 0.023 -10.840 -6.293 1.00 0.00 C ATOM 0 H THR A 58 -2.003 -9.476 -3.156 1.00 0.00 H new ATOM 0 HA THR A 58 0.057 -11.369 -3.719 1.00 0.00 H new ATOM 0 HB THR A 58 -0.898 -9.077 -5.475 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.661 -10.298 -4.506 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.435 -10.714 -7.274 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.022 -10.405 -6.300 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.092 -11.902 -6.059 1.00 0.00 H new ATOM 638 N PHE A 59 0.979 -8.381 -3.045 1.00 0.00 N ATOM 639 CA PHE A 59 2.142 -7.472 -2.889 1.00 0.00 C ATOM 640 C PHE A 59 3.073 -8.025 -1.828 1.00 0.00 C ATOM 641 O PHE A 59 4.275 -8.104 -1.990 1.00 0.00 O ATOM 642 CB PHE A 59 1.617 -6.107 -2.439 1.00 0.00 C ATOM 643 CG PHE A 59 2.635 -5.033 -2.743 1.00 0.00 C ATOM 644 CD1 PHE A 59 2.658 -4.429 -4.006 1.00 0.00 C ATOM 645 CD2 PHE A 59 3.556 -4.641 -1.763 1.00 0.00 C ATOM 646 CE1 PHE A 59 3.601 -3.434 -4.289 1.00 0.00 C ATOM 647 CE2 PHE A 59 4.498 -3.645 -2.047 1.00 0.00 C ATOM 648 CZ PHE A 59 4.521 -3.042 -3.309 1.00 0.00 C ATOM 0 H PHE A 59 0.136 -8.086 -2.552 1.00 0.00 H new ATOM 0 HA PHE A 59 2.685 -7.382 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.679 -5.884 -2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.404 -6.125 -1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.948 -4.731 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.539 -5.107 -0.789 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.619 -2.969 -5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.207 -3.342 -1.291 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.248 -2.274 -3.527 1.00 0.00 H new ATOM 658 N THR A 60 2.499 -8.389 -0.739 1.00 0.00 N ATOM 659 CA THR A 60 3.285 -8.939 0.401 1.00 0.00 C ATOM 660 C THR A 60 3.520 -10.435 0.183 1.00 0.00 C ATOM 661 O THR A 60 4.459 -11.009 0.690 1.00 0.00 O ATOM 662 CB THR A 60 2.502 -8.656 1.706 1.00 0.00 C ATOM 663 OG1 THR A 60 3.165 -7.630 2.431 1.00 0.00 O ATOM 664 CG2 THR A 60 2.386 -9.901 2.596 1.00 0.00 C ATOM 0 H THR A 60 1.494 -8.332 -0.574 1.00 0.00 H new ATOM 0 HA THR A 60 4.264 -8.465 0.473 1.00 0.00 H new ATOM 0 HB THR A 60 1.493 -8.350 1.428 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.674 -7.444 3.258 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.829 -9.652 3.499 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.864 -10.689 2.053 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.383 -10.247 2.869 1.00 0.00 H new ATOM 672 N ASN A 61 2.672 -11.058 -0.566 1.00 0.00 N ATOM 673 CA ASN A 61 2.832 -12.520 -0.824 1.00 0.00 C ATOM 674 C ASN A 61 4.153 -12.767 -1.546 1.00 0.00 C ATOM 675 O ASN A 61 4.565 -13.891 -1.752 1.00 0.00 O ATOM 676 CB ASN A 61 1.688 -13.007 -1.706 1.00 0.00 C ATOM 677 CG ASN A 61 1.763 -14.528 -1.851 1.00 0.00 C ATOM 678 OD1 ASN A 61 2.625 -15.163 -1.276 1.00 0.00 O ATOM 679 ND2 ASN A 61 0.891 -15.143 -2.601 1.00 0.00 N ATOM 0 H ASN A 61 1.867 -10.624 -1.018 1.00 0.00 H new ATOM 0 HA ASN A 61 2.823 -13.057 0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.731 -12.720 -1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.745 -12.535 -2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.933 -16.157 -2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.167 -14.610 -3.084 1.00 0.00 H new ATOM 686 N ILE A 62 4.815 -11.718 -1.935 1.00 0.00 N ATOM 687 CA ILE A 62 6.120 -11.858 -2.655 1.00 0.00 C ATOM 688 C ILE A 62 7.242 -11.689 -1.640 1.00 0.00 C ATOM 689 O ILE A 62 8.387 -12.012 -1.888 1.00 0.00 O ATOM 690 CB ILE A 62 6.224 -10.770 -3.748 1.00 0.00 C ATOM 691 CG1 ILE A 62 4.820 -10.402 -4.231 1.00 0.00 C ATOM 692 CG2 ILE A 62 7.049 -11.286 -4.933 1.00 0.00 C ATOM 693 CD1 ILE A 62 4.921 -9.373 -5.358 1.00 0.00 C ATOM 0 H ILE A 62 4.509 -10.756 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 62 6.193 -12.837 -3.130 1.00 0.00 H new ATOM 0 HB ILE A 62 6.715 -9.892 -3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.300 -11.293 -4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.235 -9.997 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.115 -10.510 -5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.051 -11.546 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.568 -12.169 -5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.921 -9.111 -5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.424 -8.479 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.490 -9.795 -6.186 1.00 0.00 H new ATOM 705 N THR A 63 6.898 -11.178 -0.495 1.00 0.00 N ATOM 706 CA THR A 63 7.901 -10.958 0.593 1.00 0.00 C ATOM 707 C THR A 63 7.455 -11.740 1.827 1.00 0.00 C ATOM 708 O THR A 63 8.217 -11.978 2.742 1.00 0.00 O ATOM 709 CB THR A 63 7.991 -9.454 0.873 1.00 0.00 C ATOM 710 OG1 THR A 63 9.090 -8.915 0.154 1.00 0.00 O ATOM 711 CG2 THR A 63 8.170 -9.151 2.368 1.00 0.00 C ATOM 0 H THR A 63 5.947 -10.896 -0.257 1.00 0.00 H new ATOM 0 HA THR A 63 8.891 -11.311 0.305 1.00 0.00 H new ATOM 0 HB THR A 63 7.054 -8.998 0.553 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.153 -7.952 0.327 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.229 -8.073 2.516 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.321 -9.548 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.088 -9.617 2.726 1.00 0.00 H new ATOM 719 N TYR A 64 6.222 -12.138 1.847 1.00 0.00 N ATOM 720 CA TYR A 64 5.706 -12.905 3.017 1.00 0.00 C ATOM 721 C TYR A 64 6.620 -14.102 3.290 1.00 0.00 C ATOM 722 O TYR A 64 6.492 -14.779 4.291 1.00 0.00 O ATOM 723 CB TYR A 64 4.266 -13.384 2.750 1.00 0.00 C ATOM 724 CG TYR A 64 4.258 -14.642 1.879 1.00 0.00 C ATOM 725 CD1 TYR A 64 5.012 -14.712 0.687 1.00 0.00 C ATOM 726 CD2 TYR A 64 3.489 -15.747 2.274 1.00 0.00 C ATOM 727 CE1 TYR A 64 4.987 -15.877 -0.089 1.00 0.00 C ATOM 728 CE2 TYR A 64 3.469 -16.908 1.493 1.00 0.00 C ATOM 729 CZ TYR A 64 4.216 -16.972 0.313 1.00 0.00 C ATOM 730 OH TYR A 64 4.195 -18.119 -0.455 1.00 0.00 O ATOM 0 H TYR A 64 5.543 -11.968 1.105 1.00 0.00 H new ATOM 0 HA TYR A 64 5.696 -12.255 3.892 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.766 -13.590 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.701 -12.593 2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.608 -13.867 0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.910 -15.701 3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.564 -15.930 -1.000 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.876 -17.756 1.802 1.00 0.00 H new ATOM 0 HH TYR A 64 3.611 -18.784 -0.034 1.00 0.00 H new ATOM 740 N ARG A 65 7.539 -14.367 2.408 1.00 0.00 N ATOM 741 CA ARG A 65 8.456 -15.521 2.619 1.00 0.00 C ATOM 742 C ARG A 65 9.452 -15.175 3.722 1.00 0.00 C ATOM 743 O ARG A 65 10.183 -16.017 4.206 1.00 0.00 O ATOM 744 CB ARG A 65 9.218 -15.824 1.328 1.00 0.00 C ATOM 745 CG ARG A 65 8.228 -16.044 0.183 1.00 0.00 C ATOM 746 CD ARG A 65 8.987 -16.067 -1.142 1.00 0.00 C ATOM 747 NE ARG A 65 8.053 -16.432 -2.243 1.00 0.00 N ATOM 748 CZ ARG A 65 8.401 -16.239 -3.486 1.00 0.00 C ATOM 749 NH1 ARG A 65 9.572 -15.734 -3.764 1.00 0.00 N ATOM 750 NH2 ARG A 65 7.579 -16.553 -4.450 1.00 0.00 N ATOM 0 H ARG A 65 7.696 -13.836 1.551 1.00 0.00 H new ATOM 0 HA ARG A 65 7.873 -16.396 2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.888 -14.999 1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.838 -16.710 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.693 -16.983 0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.482 -15.250 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.431 -15.091 -1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.806 -16.785 -1.092 1.00 0.00 H new ATOM 0 HE ARG A 65 7.141 -16.833 -2.026 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.214 -15.491 -3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.845 -15.583 -4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.665 -16.949 -4.232 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.851 -16.402 -5.421 1.00 0.00 H new ATOM 764 N GLY A 66 9.484 -13.939 4.120 1.00 0.00 N ATOM 765 CA GLY A 66 10.431 -13.518 5.193 1.00 0.00 C ATOM 766 C GLY A 66 11.816 -13.276 4.589 1.00 0.00 C ATOM 767 O GLY A 66 12.433 -12.256 4.819 1.00 0.00 O ATOM 0 H GLY A 66 8.893 -13.195 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.070 -12.610 5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.488 -14.287 5.964 1.00 0.00 H new ATOM 771 N THR A 67 12.307 -14.206 3.815 1.00 0.00 N ATOM 772 CA THR A 67 13.651 -14.030 3.196 1.00 0.00 C ATOM 773 C THR A 67 14.695 -13.805 4.293 1.00 0.00 C ATOM 774 O THR A 67 15.873 -13.860 3.983 1.00 0.00 O ATOM 775 CB THR A 67 13.625 -12.819 2.255 1.00 0.00 C ATOM 776 OG1 THR A 67 12.435 -12.851 1.480 1.00 0.00 O ATOM 777 CG2 THR A 67 14.842 -12.860 1.328 1.00 0.00 C ATOM 778 OXT THR A 67 14.296 -13.585 5.425 1.00 0.00 O ATOM 0 H THR A 67 11.835 -15.080 3.585 1.00 0.00 H new ATOM 0 HA THR A 67 13.910 -14.924 2.629 1.00 0.00 H new ATOM 0 HB THR A 67 13.653 -11.902 2.843 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.415 -12.077 0.879 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.820 -11.998 0.661 1.00 0.00 H new ATOM 0 HG22 THR A 67 15.754 -12.835 1.924 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.819 -13.776 0.738 1.00 0.00 H new TER 786 THR A 67