USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 626 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.585 X(o=-0.59,f=-0.72) USER MOD Single : A 9 TYR OH : rot 165:sc= -0.102 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0762 USER MOD Single : A 39 GLN : amide:sc= -0.0742 K(o=-0.074,f=-0.63) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.18! K(o=-1.2!,f=-0.04) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -110:sc= -0.921 (180deg=-1.86) USER MOD Single : A 61 ASN : amide:sc= -0.166! C(o=-0.17!,f=-12!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -2.19! USER MOD Single : A 66 GLN : amide:sc= -0.0643 K(o=-0.064,f=-0.58) USER MOD Single : A 73 THR OG1 : rot 85:sc= 0.0272 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.927 5.585 19.457 1.00 74.33 N ATOM 2 CA MET A 1 -6.519 5.539 18.981 1.00 12.02 C ATOM 3 C MET A 1 -6.163 4.136 18.455 1.00 12.44 C ATOM 4 O MET A 1 -6.136 3.166 19.215 1.00 65.42 O ATOM 5 CB MET A 1 -5.564 5.924 20.127 1.00 2.51 C ATOM 6 CG MET A 1 -4.143 6.233 19.672 1.00 13.30 C ATOM 7 SD MET A 1 -4.028 7.807 18.795 1.00 33.44 S ATOM 8 CE MET A 1 -2.304 7.805 18.306 1.00 21.34 C ATOM 0 H1 MET A 1 -8.144 6.540 19.807 1.00 74.33 H new ATOM 0 H2 MET A 1 -8.567 5.350 18.671 1.00 74.33 H new ATOM 0 H3 MET A 1 -8.056 4.897 20.226 1.00 74.33 H new ATOM 0 HA MET A 1 -6.411 6.252 18.164 1.00 12.02 H new ATOM 0 HB2 MET A 1 -5.966 6.795 20.644 1.00 2.51 H new ATOM 0 HB3 MET A 1 -5.534 5.109 20.850 1.00 2.51 H new ATOM 0 HG2 MET A 1 -3.483 6.254 20.539 1.00 13.30 H new ATOM 0 HG3 MET A 1 -3.790 5.432 19.023 1.00 13.30 H new ATOM 0 HE1 MET A 1 -2.082 8.718 17.753 1.00 21.34 H new ATOM 0 HE2 MET A 1 -1.674 7.756 19.194 1.00 21.34 H new ATOM 0 HE3 MET A 1 -2.106 6.940 17.673 1.00 21.34 H new ATOM 20 N ALA A 2 -5.919 4.029 17.149 1.00 3.50 N ATOM 21 CA ALA A 2 -5.459 2.778 16.537 1.00 21.34 C ATOM 22 C ALA A 2 -3.938 2.620 16.693 1.00 73.14 C ATOM 23 O ALA A 2 -3.445 1.533 16.993 1.00 53.20 O ATOM 24 CB ALA A 2 -5.845 2.732 15.061 1.00 55.31 C ATOM 0 H ALA A 2 -6.033 4.798 16.489 1.00 3.50 H new ATOM 0 HA ALA A 2 -5.945 1.950 17.053 1.00 21.34 H new ATOM 0 HB1 ALA A 2 -5.496 1.797 14.623 1.00 55.31 H new ATOM 0 HB2 ALA A 2 -6.929 2.795 14.966 1.00 55.31 H new ATOM 0 HB3 ALA A 2 -5.386 3.571 14.539 1.00 55.31 H new ATOM 30 N GLY A 3 -3.207 3.716 16.477 1.00 30.43 N ATOM 31 CA GLY A 3 -1.759 3.735 16.677 1.00 43.21 C ATOM 32 C GLY A 3 -0.989 2.678 15.875 1.00 1.34 C ATOM 33 O GLY A 3 -0.947 2.735 14.641 1.00 1.35 O ATOM 0 H GLY A 3 -3.597 4.604 16.162 1.00 30.43 H new ATOM 0 HA2 GLY A 3 -1.381 4.722 16.409 1.00 43.21 H new ATOM 0 HA3 GLY A 3 -1.550 3.591 17.737 1.00 43.21 H new ATOM 37 N PRO A 4 -0.373 1.687 16.557 1.00 64.52 N ATOM 38 CA PRO A 4 0.528 0.701 15.921 1.00 51.13 C ATOM 39 C PRO A 4 -0.185 -0.409 15.118 1.00 40.51 C ATOM 40 O PRO A 4 0.382 -1.485 14.907 1.00 31.54 O ATOM 41 CB PRO A 4 1.266 0.101 17.123 1.00 34.12 C ATOM 42 CG PRO A 4 0.281 0.181 18.240 1.00 33.13 C ATOM 43 CD PRO A 4 -0.501 1.451 18.011 1.00 5.11 C ATOM 0 HA PRO A 4 1.162 1.178 15.174 1.00 51.13 H new ATOM 0 HB2 PRO A 4 1.567 -0.929 16.931 1.00 34.12 H new ATOM 0 HB3 PRO A 4 2.173 0.660 17.352 1.00 34.12 H new ATOM 0 HG2 PRO A 4 -0.377 -0.688 18.243 1.00 33.13 H new ATOM 0 HG3 PRO A 4 0.786 0.202 19.206 1.00 33.13 H new ATOM 0 HD2 PRO A 4 -1.544 1.338 18.308 1.00 5.11 H new ATOM 0 HD3 PRO A 4 -0.094 2.281 18.588 1.00 5.11 H new ATOM 51 N GLU A 5 -1.409 -0.150 14.658 1.00 42.13 N ATOM 52 CA GLU A 5 -2.108 -1.089 13.766 1.00 13.12 C ATOM 53 C GLU A 5 -1.310 -1.323 12.474 1.00 62.32 C ATOM 54 O GLU A 5 -1.353 -2.405 11.884 1.00 23.12 O ATOM 55 CB GLU A 5 -3.516 -0.566 13.425 1.00 50.11 C ATOM 56 CG GLU A 5 -4.521 -0.696 14.566 1.00 14.11 C ATOM 57 CD GLU A 5 -4.829 -2.147 14.908 1.00 34.14 C ATOM 58 OE1 GLU A 5 -5.745 -2.730 14.286 1.00 52.12 O ATOM 59 OE2 GLU A 5 -4.150 -2.718 15.786 1.00 2.31 O ATOM 0 H GLU A 5 -1.937 0.693 14.883 1.00 42.13 H new ATOM 0 HA GLU A 5 -2.200 -2.040 14.291 1.00 13.12 H new ATOM 0 HB2 GLU A 5 -3.443 0.483 13.137 1.00 50.11 H new ATOM 0 HB3 GLU A 5 -3.894 -1.109 12.558 1.00 50.11 H new ATOM 0 HG2 GLU A 5 -4.129 -0.193 15.450 1.00 14.11 H new ATOM 0 HG3 GLU A 5 -5.445 -0.186 14.292 1.00 14.11 H new ATOM 66 N GLY A 6 -0.572 -0.301 12.049 1.00 31.30 N ATOM 67 CA GLY A 6 0.232 -0.398 10.838 1.00 14.04 C ATOM 68 C GLY A 6 0.632 0.966 10.291 1.00 61.34 C ATOM 69 O GLY A 6 0.845 1.910 11.055 1.00 63.05 O ATOM 0 H GLY A 6 -0.515 0.600 12.524 1.00 31.30 H new ATOM 0 HA2 GLY A 6 1.130 -0.979 11.048 1.00 14.04 H new ATOM 0 HA3 GLY A 6 -0.328 -0.941 10.077 1.00 14.04 H new ATOM 73 N PHE A 7 0.731 1.072 8.968 1.00 63.13 N ATOM 74 CA PHE A 7 1.082 2.336 8.309 1.00 65.41 C ATOM 75 C PHE A 7 0.142 2.625 7.125 1.00 22.55 C ATOM 76 O PHE A 7 -0.189 1.729 6.346 1.00 51.44 O ATOM 77 CB PHE A 7 2.541 2.303 7.831 1.00 72.41 C ATOM 78 CG PHE A 7 3.544 2.179 8.953 1.00 75.32 C ATOM 79 CD1 PHE A 7 3.970 3.301 9.649 1.00 22.34 C ATOM 80 CD2 PHE A 7 4.056 0.940 9.316 1.00 44.33 C ATOM 81 CE1 PHE A 7 4.883 3.192 10.681 1.00 41.41 C ATOM 82 CE2 PHE A 7 4.971 0.826 10.346 1.00 21.14 C ATOM 83 CZ PHE A 7 5.386 1.953 11.029 1.00 2.13 C ATOM 0 H PHE A 7 0.573 0.296 8.325 1.00 63.13 H new ATOM 0 HA PHE A 7 0.966 3.138 9.038 1.00 65.41 H new ATOM 0 HB2 PHE A 7 2.671 1.466 7.145 1.00 72.41 H new ATOM 0 HB3 PHE A 7 2.750 3.212 7.267 1.00 72.41 H new ATOM 0 HD1 PHE A 7 3.583 4.273 9.381 1.00 22.34 H new ATOM 0 HD2 PHE A 7 3.735 0.055 8.787 1.00 44.33 H new ATOM 0 HE1 PHE A 7 5.203 4.075 11.215 1.00 41.41 H new ATOM 0 HE2 PHE A 7 5.361 -0.144 10.617 1.00 21.14 H new ATOM 0 HZ PHE A 7 6.102 1.866 11.833 1.00 2.13 H new ATOM 93 N GLN A 8 -0.295 3.878 7.006 1.00 65.12 N ATOM 94 CA GLN A 8 -1.196 4.290 5.921 1.00 4.24 C ATOM 95 C GLN A 8 -0.429 4.882 4.724 1.00 33.12 C ATOM 96 O GLN A 8 0.381 5.802 4.874 1.00 70.44 O ATOM 97 CB GLN A 8 -2.223 5.310 6.440 1.00 23.14 C ATOM 98 CG GLN A 8 -3.221 4.730 7.437 1.00 75.31 C ATOM 99 CD GLN A 8 -4.244 5.751 7.916 1.00 54.31 C ATOM 100 OE1 GLN A 8 -3.965 6.940 8.002 1.00 25.12 O ATOM 101 NE2 GLN A 8 -5.443 5.296 8.226 1.00 24.25 N ATOM 0 H GLN A 8 -0.041 4.630 7.647 1.00 65.12 H new ATOM 0 HA GLN A 8 -1.713 3.396 5.573 1.00 4.24 H new ATOM 0 HB2 GLN A 8 -1.692 6.137 6.912 1.00 23.14 H new ATOM 0 HB3 GLN A 8 -2.770 5.724 5.593 1.00 23.14 H new ATOM 0 HG2 GLN A 8 -3.742 3.891 6.975 1.00 75.31 H new ATOM 0 HG3 GLN A 8 -2.680 4.335 8.297 1.00 75.31 H new ATOM 0 HE21 GLN A 8 -5.647 4.300 8.145 1.00 24.25 H new ATOM 0 HE22 GLN A 8 -6.166 5.940 8.547 1.00 24.25 H new ATOM 110 N TYR A 9 -0.692 4.339 3.537 1.00 11.40 N ATOM 111 CA TYR A 9 -0.105 4.836 2.288 1.00 74.22 C ATOM 112 C TYR A 9 -1.208 5.383 1.367 1.00 42.40 C ATOM 113 O TYR A 9 -2.153 4.673 1.029 1.00 53.14 O ATOM 114 CB TYR A 9 0.653 3.709 1.577 1.00 1.23 C ATOM 115 CG TYR A 9 1.726 3.050 2.428 1.00 3.13 C ATOM 116 CD1 TYR A 9 1.422 1.969 3.251 1.00 3.30 C ATOM 117 CD2 TYR A 9 3.041 3.505 2.408 1.00 34.34 C ATOM 118 CE1 TYR A 9 2.395 1.363 4.026 1.00 44.30 C ATOM 119 CE2 TYR A 9 4.017 2.903 3.181 1.00 35.23 C ATOM 120 CZ TYR A 9 3.689 1.833 3.987 1.00 40.43 C ATOM 121 OH TYR A 9 4.660 1.231 4.757 1.00 44.21 O ATOM 0 H TYR A 9 -1.317 3.543 3.411 1.00 11.40 H new ATOM 0 HA TYR A 9 0.592 5.640 2.524 1.00 74.22 H new ATOM 0 HB2 TYR A 9 -0.061 2.949 1.259 1.00 1.23 H new ATOM 0 HB3 TYR A 9 1.115 4.109 0.675 1.00 1.23 H new ATOM 0 HD1 TYR A 9 0.409 1.597 3.285 1.00 3.30 H new ATOM 0 HD2 TYR A 9 3.304 4.342 1.778 1.00 34.34 H new ATOM 0 HE1 TYR A 9 2.141 0.525 4.659 1.00 44.30 H new ATOM 0 HE2 TYR A 9 5.033 3.269 3.154 1.00 35.23 H new ATOM 0 HH TYR A 9 5.546 1.511 4.445 1.00 44.21 H new ATOM 131 N ARG A 10 -1.082 6.639 0.953 1.00 31.13 N ATOM 132 CA ARG A 10 -2.131 7.298 0.162 1.00 74.11 C ATOM 133 C ARG A 10 -1.827 7.268 -1.348 1.00 12.45 C ATOM 134 O ARG A 10 -0.776 7.726 -1.790 1.00 62.01 O ATOM 135 CB ARG A 10 -2.303 8.746 0.644 1.00 64.21 C ATOM 136 CG ARG A 10 -3.293 9.565 -0.179 1.00 61.23 C ATOM 137 CD ARG A 10 -3.454 10.977 0.376 1.00 43.20 C ATOM 138 NE ARG A 10 -4.271 11.811 -0.503 1.00 2.32 N ATOM 139 CZ ARG A 10 -5.343 12.456 -0.136 1.00 44.13 C ATOM 140 NH1 ARG A 10 -5.795 12.371 1.077 1.00 33.12 N ATOM 141 NH2 ARG A 10 -5.970 13.183 -0.999 1.00 11.32 N ATOM 0 H ARG A 10 -0.270 7.225 1.148 1.00 31.13 H new ATOM 0 HA ARG A 10 -3.059 6.746 0.311 1.00 74.11 H new ATOM 0 HB2 ARG A 10 -2.633 8.735 1.683 1.00 64.21 H new ATOM 0 HB3 ARG A 10 -1.333 9.242 0.623 1.00 64.21 H new ATOM 0 HG2 ARG A 10 -2.952 9.617 -1.213 1.00 61.23 H new ATOM 0 HG3 ARG A 10 -4.261 9.064 -0.188 1.00 61.23 H new ATOM 0 HD2 ARG A 10 -3.913 10.930 1.364 1.00 43.20 H new ATOM 0 HD3 ARG A 10 -2.472 11.433 0.502 1.00 43.20 H new ATOM 0 HE ARG A 10 -3.981 11.895 -1.477 1.00 2.32 H new ATOM 0 HH11 ARG A 10 -5.310 11.792 1.763 1.00 33.12 H new ATOM 0 HH12 ARG A 10 -6.635 12.883 1.345 1.00 33.12 H new ATOM 0 HH21 ARG A 10 -5.626 13.248 -1.957 1.00 11.32 H new ATOM 0 HH22 ARG A 10 -6.810 13.692 -0.723 1.00 11.32 H new ATOM 155 N ALA A 11 -2.762 6.731 -2.131 1.00 50.23 N ATOM 156 CA ALA A 11 -2.621 6.659 -3.591 1.00 23.23 C ATOM 157 C ALA A 11 -2.700 8.051 -4.243 1.00 11.32 C ATOM 158 O ALA A 11 -3.658 8.800 -4.026 1.00 53.51 O ATOM 159 CB ALA A 11 -3.683 5.736 -4.176 1.00 14.43 C ATOM 0 H ALA A 11 -3.633 6.335 -1.778 1.00 50.23 H new ATOM 0 HA ALA A 11 -1.634 6.252 -3.809 1.00 23.23 H new ATOM 0 HB1 ALA A 11 -3.569 5.690 -5.259 1.00 14.43 H new ATOM 0 HB2 ALA A 11 -3.568 4.737 -3.756 1.00 14.43 H new ATOM 0 HB3 ALA A 11 -4.673 6.120 -3.932 1.00 14.43 H new ATOM 165 N LEU A 12 -1.691 8.386 -5.050 1.00 11.53 N ATOM 166 CA LEU A 12 -1.605 9.709 -5.681 1.00 71.12 C ATOM 167 C LEU A 12 -2.394 9.777 -7.002 1.00 32.54 C ATOM 168 O LEU A 12 -3.258 10.641 -7.175 1.00 44.33 O ATOM 169 CB LEU A 12 -0.131 10.073 -5.928 1.00 11.51 C ATOM 170 CG LEU A 12 0.769 10.026 -4.680 1.00 32.21 C ATOM 171 CD1 LEU A 12 2.205 10.413 -5.027 1.00 32.13 C ATOM 172 CD2 LEU A 12 0.217 10.928 -3.579 1.00 32.14 C ATOM 0 H LEU A 12 -0.920 7.760 -5.283 1.00 11.53 H new ATOM 0 HA LEU A 12 -2.055 10.429 -4.998 1.00 71.12 H new ATOM 0 HB2 LEU A 12 0.275 9.392 -6.676 1.00 11.51 H new ATOM 0 HB3 LEU A 12 -0.086 11.076 -6.352 1.00 11.51 H new ATOM 0 HG LEU A 12 0.776 9.001 -4.309 1.00 32.21 H new ATOM 0 HD11 LEU A 12 2.820 10.372 -4.128 1.00 32.13 H new ATOM 0 HD12 LEU A 12 2.600 9.719 -5.769 1.00 32.13 H new ATOM 0 HD13 LEU A 12 2.221 11.425 -5.432 1.00 32.13 H new ATOM 0 HD21 LEU A 12 0.869 10.879 -2.707 1.00 32.14 H new ATOM 0 HD22 LEU A 12 0.170 11.956 -3.940 1.00 32.14 H new ATOM 0 HD23 LEU A 12 -0.783 10.595 -3.303 1.00 32.14 H new ATOM 184 N TYR A 13 -2.089 8.872 -7.931 1.00 63.44 N ATOM 185 CA TYR A 13 -2.742 8.859 -9.250 1.00 73.41 C ATOM 186 C TYR A 13 -3.582 7.581 -9.456 1.00 2.13 C ATOM 187 O TYR A 13 -3.264 6.527 -8.905 1.00 22.51 O ATOM 188 CB TYR A 13 -1.692 8.979 -10.365 1.00 33.12 C ATOM 189 CG TYR A 13 -0.896 10.272 -10.326 1.00 62.42 C ATOM 190 CD1 TYR A 13 -1.391 11.438 -10.908 1.00 1.22 C ATOM 191 CD2 TYR A 13 0.350 10.329 -9.707 1.00 31.13 C ATOM 192 CE1 TYR A 13 -0.668 12.617 -10.873 1.00 0.01 C ATOM 193 CE2 TYR A 13 1.075 11.505 -9.670 1.00 34.54 C ATOM 194 CZ TYR A 13 0.562 12.646 -10.252 1.00 41.25 C ATOM 195 OH TYR A 13 1.284 13.819 -10.215 1.00 60.31 O ATOM 0 H TYR A 13 -1.395 8.136 -7.800 1.00 63.44 H new ATOM 0 HA TYR A 13 -3.415 9.715 -9.293 1.00 73.41 H new ATOM 0 HB2 TYR A 13 -1.003 8.138 -10.293 1.00 33.12 H new ATOM 0 HB3 TYR A 13 -2.192 8.901 -11.331 1.00 33.12 H new ATOM 0 HD1 TYR A 13 -2.355 11.421 -11.394 1.00 1.22 H new ATOM 0 HD2 TYR A 13 0.756 9.440 -9.248 1.00 31.13 H new ATOM 0 HE1 TYR A 13 -1.066 13.511 -11.330 1.00 0.01 H new ATOM 0 HE2 TYR A 13 2.041 11.531 -9.187 1.00 34.54 H new ATOM 0 HH TYR A 13 2.128 13.669 -9.740 1.00 60.31 H new ATOM 205 N PRO A 14 -4.673 7.663 -10.252 1.00 13.20 N ATOM 206 CA PRO A 14 -5.551 6.508 -10.516 1.00 25.14 C ATOM 207 C PRO A 14 -4.940 5.466 -11.473 1.00 62.41 C ATOM 208 O PRO A 14 -4.625 5.766 -12.628 1.00 22.41 O ATOM 209 CB PRO A 14 -6.796 7.146 -11.145 1.00 32.31 C ATOM 210 CG PRO A 14 -6.295 8.395 -11.792 1.00 44.31 C ATOM 211 CD PRO A 14 -5.148 8.884 -10.942 1.00 73.21 C ATOM 0 HA PRO A 14 -5.744 5.947 -9.602 1.00 25.14 H new ATOM 0 HB2 PRO A 14 -7.257 6.480 -11.874 1.00 32.31 H new ATOM 0 HB3 PRO A 14 -7.552 7.366 -10.391 1.00 32.31 H new ATOM 0 HG2 PRO A 14 -5.966 8.199 -12.813 1.00 44.31 H new ATOM 0 HG3 PRO A 14 -7.083 9.146 -11.850 1.00 44.31 H new ATOM 0 HD2 PRO A 14 -4.362 9.331 -11.550 1.00 73.21 H new ATOM 0 HD3 PRO A 14 -5.473 9.644 -10.231 1.00 73.21 H new ATOM 219 N PHE A 15 -4.788 4.235 -10.982 1.00 34.31 N ATOM 220 CA PHE A 15 -4.313 3.115 -11.803 1.00 53.35 C ATOM 221 C PHE A 15 -5.239 1.896 -11.663 1.00 62.22 C ATOM 222 O PHE A 15 -5.301 1.262 -10.609 1.00 22.14 O ATOM 223 CB PHE A 15 -2.878 2.728 -11.415 1.00 73.11 C ATOM 224 CG PHE A 15 -1.858 3.795 -11.726 1.00 13.44 C ATOM 225 CD1 PHE A 15 -1.313 3.901 -12.998 1.00 31.31 C ATOM 226 CD2 PHE A 15 -1.452 4.696 -10.752 1.00 23.42 C ATOM 227 CE1 PHE A 15 -0.381 4.880 -13.290 1.00 61.32 C ATOM 228 CE2 PHE A 15 -0.522 5.675 -11.040 1.00 32.01 C ATOM 229 CZ PHE A 15 0.012 5.769 -12.309 1.00 4.04 C ATOM 0 H PHE A 15 -4.988 3.985 -10.013 1.00 34.31 H new ATOM 0 HA PHE A 15 -4.322 3.440 -12.843 1.00 53.35 H new ATOM 0 HB2 PHE A 15 -2.846 2.507 -10.348 1.00 73.11 H new ATOM 0 HB3 PHE A 15 -2.604 1.812 -11.938 1.00 73.11 H new ATOM 0 HD1 PHE A 15 -1.621 3.210 -13.769 1.00 31.31 H new ATOM 0 HD2 PHE A 15 -1.868 4.631 -9.758 1.00 23.42 H new ATOM 0 HE1 PHE A 15 0.038 4.949 -14.283 1.00 61.32 H new ATOM 0 HE2 PHE A 15 -0.212 6.368 -10.272 1.00 32.01 H new ATOM 0 HZ PHE A 15 0.737 6.537 -12.535 1.00 4.04 H new ATOM 239 N ARG A 16 -5.957 1.578 -12.736 1.00 41.24 N ATOM 240 CA ARG A 16 -6.854 0.418 -12.759 1.00 42.12 C ATOM 241 C ARG A 16 -6.094 -0.852 -13.172 1.00 14.40 C ATOM 242 O ARG A 16 -5.000 -0.776 -13.737 1.00 45.00 O ATOM 243 CB ARG A 16 -8.034 0.680 -13.703 1.00 51.34 C ATOM 244 CG ARG A 16 -8.889 1.876 -13.282 1.00 21.50 C ATOM 245 CD ARG A 16 -10.023 2.147 -14.268 1.00 12.21 C ATOM 246 NE ARG A 16 -9.526 2.405 -15.618 1.00 64.12 N ATOM 247 CZ ARG A 16 -9.494 3.581 -16.185 1.00 32.43 C ATOM 248 NH1 ARG A 16 -9.931 4.632 -15.569 1.00 50.42 N ATOM 249 NH2 ARG A 16 -9.032 3.704 -17.380 1.00 13.30 N ATOM 0 H ARG A 16 -5.937 2.108 -13.607 1.00 41.24 H new ATOM 0 HA ARG A 16 -7.244 0.261 -11.753 1.00 42.12 H new ATOM 0 HB2 ARG A 16 -7.654 0.850 -14.710 1.00 51.34 H new ATOM 0 HB3 ARG A 16 -8.662 -0.210 -13.745 1.00 51.34 H new ATOM 0 HG2 ARG A 16 -9.306 1.692 -12.292 1.00 21.50 H new ATOM 0 HG3 ARG A 16 -8.259 2.762 -13.203 1.00 21.50 H new ATOM 0 HD2 ARG A 16 -10.698 1.292 -14.288 1.00 12.21 H new ATOM 0 HD3 ARG A 16 -10.604 3.004 -13.926 1.00 12.21 H new ATOM 0 HE ARG A 16 -9.180 1.610 -16.155 1.00 64.12 H new ATOM 0 HH11 ARG A 16 -10.308 4.550 -14.625 1.00 50.42 H new ATOM 0 HH12 ARG A 16 -9.898 5.542 -16.028 1.00 50.42 H new ATOM 0 HH21 ARG A 16 -8.692 2.884 -17.882 1.00 13.30 H new ATOM 0 HH22 ARG A 16 -9.006 4.622 -17.825 1.00 13.30 H new ATOM 263 N ARG A 17 -6.657 -2.018 -12.856 1.00 72.44 N ATOM 264 CA ARG A 17 -5.974 -3.300 -13.098 1.00 43.20 C ATOM 265 C ARG A 17 -6.584 -4.102 -14.256 1.00 14.22 C ATOM 266 O ARG A 17 -7.806 -4.228 -14.372 1.00 13.12 O ATOM 267 CB ARG A 17 -5.981 -4.159 -11.819 1.00 61.33 C ATOM 268 CG ARG A 17 -4.771 -3.930 -10.920 1.00 75.11 C ATOM 269 CD ARG A 17 -4.582 -2.458 -10.565 1.00 14.30 C ATOM 270 NE ARG A 17 -3.306 -2.221 -9.902 1.00 3.00 N ATOM 271 CZ ARG A 17 -2.393 -1.399 -10.335 1.00 65.14 C ATOM 272 NH1 ARG A 17 -2.600 -0.669 -11.385 1.00 34.14 N ATOM 273 NH2 ARG A 17 -1.269 -1.318 -9.709 1.00 32.00 N ATOM 0 H ARG A 17 -7.581 -2.107 -12.433 1.00 72.44 H new ATOM 0 HA ARG A 17 -4.951 -3.053 -13.382 1.00 43.20 H new ATOM 0 HB2 ARG A 17 -6.888 -3.946 -11.254 1.00 61.33 H new ATOM 0 HB3 ARG A 17 -6.020 -5.212 -12.099 1.00 61.33 H new ATOM 0 HG2 ARG A 17 -4.887 -4.510 -10.004 1.00 75.11 H new ATOM 0 HG3 ARG A 17 -3.875 -4.299 -11.420 1.00 75.11 H new ATOM 0 HD2 ARG A 17 -4.638 -1.855 -11.471 1.00 14.30 H new ATOM 0 HD3 ARG A 17 -5.395 -2.133 -9.916 1.00 14.30 H new ATOM 0 HE ARG A 17 -3.115 -2.733 -9.041 1.00 3.00 H new ATOM 0 HH11 ARG A 17 -3.487 -0.734 -11.884 1.00 34.14 H new ATOM 0 HH12 ARG A 17 -1.876 -0.030 -11.713 1.00 34.14 H new ATOM 0 HH21 ARG A 17 -1.102 -1.894 -8.884 1.00 32.00 H new ATOM 0 HH22 ARG A 17 -0.547 -0.678 -10.039 1.00 32.00 H new ATOM 287 N GLU A 18 -5.706 -4.639 -15.107 1.00 32.04 N ATOM 288 CA GLU A 18 -6.094 -5.621 -16.123 1.00 61.45 C ATOM 289 C GLU A 18 -6.380 -6.974 -15.454 1.00 13.34 C ATOM 290 O GLU A 18 -7.372 -7.643 -15.754 1.00 0.40 O ATOM 291 CB GLU A 18 -4.963 -5.766 -17.156 1.00 74.33 C ATOM 292 CG GLU A 18 -5.250 -6.754 -18.284 1.00 21.02 C ATOM 293 CD GLU A 18 -6.381 -6.302 -19.195 1.00 53.45 C ATOM 294 OE1 GLU A 18 -6.132 -5.465 -20.087 1.00 3.05 O ATOM 295 OE2 GLU A 18 -7.524 -6.780 -19.023 1.00 31.11 O ATOM 0 H GLU A 18 -4.713 -4.407 -15.112 1.00 32.04 H new ATOM 0 HA GLU A 18 -6.997 -5.283 -16.631 1.00 61.45 H new ATOM 0 HB2 GLU A 18 -4.760 -4.788 -17.592 1.00 74.33 H new ATOM 0 HB3 GLU A 18 -4.056 -6.079 -16.639 1.00 74.33 H new ATOM 0 HG2 GLU A 18 -4.346 -6.893 -18.877 1.00 21.02 H new ATOM 0 HG3 GLU A 18 -5.502 -7.724 -17.855 1.00 21.02 H new ATOM 302 N ARG A 19 -5.489 -7.368 -14.545 1.00 52.41 N ATOM 303 CA ARG A 19 -5.670 -8.572 -13.729 1.00 3.34 C ATOM 304 C ARG A 19 -5.894 -8.185 -12.258 1.00 5.31 C ATOM 305 O ARG A 19 -5.033 -7.557 -11.641 1.00 10.04 O ATOM 306 CB ARG A 19 -4.439 -9.484 -13.848 1.00 22.33 C ATOM 307 CG ARG A 19 -4.169 -9.980 -15.268 1.00 72.05 C ATOM 308 CD ARG A 19 -5.280 -10.898 -15.772 1.00 42.44 C ATOM 309 NE ARG A 19 -5.074 -11.298 -17.164 1.00 4.04 N ATOM 310 CZ ARG A 19 -5.734 -12.256 -17.757 1.00 2.33 C ATOM 311 NH1 ARG A 19 -6.605 -12.959 -17.110 1.00 34.21 N ATOM 312 NH2 ARG A 19 -5.517 -12.517 -19.002 1.00 31.54 N ATOM 0 H ARG A 19 -4.623 -6.864 -14.352 1.00 52.41 H new ATOM 0 HA ARG A 19 -6.545 -9.111 -14.092 1.00 3.34 H new ATOM 0 HB2 ARG A 19 -3.563 -8.943 -13.490 1.00 22.33 H new ATOM 0 HB3 ARG A 19 -4.572 -10.345 -13.193 1.00 22.33 H new ATOM 0 HG2 ARG A 19 -4.072 -9.126 -15.938 1.00 72.05 H new ATOM 0 HG3 ARG A 19 -3.219 -10.513 -15.292 1.00 72.05 H new ATOM 0 HD2 ARG A 19 -5.328 -11.787 -15.143 1.00 42.44 H new ATOM 0 HD3 ARG A 19 -6.240 -10.390 -15.680 1.00 42.44 H new ATOM 0 HE ARG A 19 -4.370 -10.797 -17.706 1.00 4.04 H new ATOM 0 HH11 ARG A 19 -6.784 -12.768 -16.124 1.00 34.21 H new ATOM 0 HH12 ARG A 19 -7.114 -13.704 -17.586 1.00 34.21 H new ATOM 0 HH21 ARG A 19 -4.829 -11.975 -19.524 1.00 31.54 H new ATOM 0 HH22 ARG A 19 -6.033 -13.266 -19.464 1.00 31.54 H new ATOM 326 N PRO A 20 -7.048 -8.561 -11.669 1.00 74.14 N ATOM 327 CA PRO A 20 -7.383 -8.232 -10.262 1.00 10.51 C ATOM 328 C PRO A 20 -6.369 -8.777 -9.235 1.00 22.11 C ATOM 329 O PRO A 20 -6.528 -8.572 -8.028 1.00 25.22 O ATOM 330 CB PRO A 20 -8.756 -8.889 -10.055 1.00 74.22 C ATOM 331 CG PRO A 20 -9.312 -9.059 -11.430 1.00 31.22 C ATOM 332 CD PRO A 20 -8.130 -9.317 -12.324 1.00 75.42 C ATOM 0 HA PRO A 20 -7.372 -7.154 -10.103 1.00 10.51 H new ATOM 0 HB2 PRO A 20 -8.662 -9.848 -9.545 1.00 74.22 H new ATOM 0 HB3 PRO A 20 -9.405 -8.264 -9.441 1.00 74.22 H new ATOM 0 HG2 PRO A 20 -10.018 -9.889 -11.466 1.00 31.22 H new ATOM 0 HG3 PRO A 20 -9.853 -8.167 -11.746 1.00 31.22 H new ATOM 0 HD2 PRO A 20 -7.898 -10.380 -12.389 1.00 75.42 H new ATOM 0 HD3 PRO A 20 -8.309 -8.967 -13.341 1.00 75.42 H new ATOM 340 N GLU A 21 -5.351 -9.488 -9.718 1.00 12.50 N ATOM 341 CA GLU A 21 -4.248 -9.974 -8.867 1.00 2.44 C ATOM 342 C GLU A 21 -3.562 -8.815 -8.118 1.00 74.45 C ATOM 343 O GLU A 21 -3.187 -8.948 -6.950 1.00 1.41 O ATOM 344 CB GLU A 21 -3.208 -10.720 -9.720 1.00 41.34 C ATOM 345 CG GLU A 21 -3.799 -11.811 -10.610 1.00 22.14 C ATOM 346 CD GLU A 21 -4.657 -12.809 -9.846 1.00 63.43 C ATOM 347 OE1 GLU A 21 -4.112 -13.557 -9.008 1.00 74.01 O ATOM 348 OE2 GLU A 21 -5.884 -12.846 -10.076 1.00 11.21 O ATOM 0 H GLU A 21 -5.261 -9.746 -10.701 1.00 12.50 H new ATOM 0 HA GLU A 21 -4.675 -10.655 -8.130 1.00 2.44 H new ATOM 0 HB2 GLU A 21 -2.683 -9.999 -10.347 1.00 41.34 H new ATOM 0 HB3 GLU A 21 -2.465 -11.168 -9.059 1.00 41.34 H new ATOM 0 HG2 GLU A 21 -4.401 -11.347 -11.391 1.00 22.14 H new ATOM 0 HG3 GLU A 21 -2.988 -12.344 -11.107 1.00 22.14 H new ATOM 355 N ASP A 22 -3.395 -7.687 -8.808 1.00 41.25 N ATOM 356 CA ASP A 22 -2.820 -6.472 -8.216 1.00 70.42 C ATOM 357 C ASP A 22 -3.949 -5.608 -7.605 1.00 33.23 C ATOM 358 O ASP A 22 -5.128 -5.813 -7.910 1.00 50.25 O ATOM 359 CB ASP A 22 -2.052 -5.697 -9.307 1.00 63.21 C ATOM 360 CG ASP A 22 -1.101 -4.639 -8.758 1.00 25.15 C ATOM 361 OD1 ASP A 22 -1.582 -3.608 -8.246 1.00 35.43 O ATOM 362 OD2 ASP A 22 0.130 -4.820 -8.870 1.00 2.34 O ATOM 0 H ASP A 22 -3.652 -7.586 -9.790 1.00 41.25 H new ATOM 0 HA ASP A 22 -2.125 -6.732 -7.418 1.00 70.42 H new ATOM 0 HB2 ASP A 22 -1.484 -6.405 -9.910 1.00 63.21 H new ATOM 0 HB3 ASP A 22 -2.770 -5.217 -9.972 1.00 63.21 H new ATOM 367 N LEU A 23 -3.605 -4.648 -6.752 1.00 74.30 N ATOM 368 CA LEU A 23 -4.616 -3.801 -6.097 1.00 70.41 C ATOM 369 C LEU A 23 -4.748 -2.440 -6.804 1.00 3.31 C ATOM 370 O LEU A 23 -3.754 -1.786 -7.109 1.00 31.34 O ATOM 371 CB LEU A 23 -4.267 -3.598 -4.614 1.00 24.33 C ATOM 372 CG LEU A 23 -5.322 -2.840 -3.783 1.00 33.12 C ATOM 373 CD1 LEU A 23 -6.666 -3.565 -3.825 1.00 50.45 C ATOM 374 CD2 LEU A 23 -4.850 -2.668 -2.339 1.00 0.35 C ATOM 0 H LEU A 23 -2.642 -4.432 -6.494 1.00 74.30 H new ATOM 0 HA LEU A 23 -5.576 -4.312 -6.168 1.00 70.41 H new ATOM 0 HB2 LEU A 23 -4.105 -4.575 -4.159 1.00 24.33 H new ATOM 0 HB3 LEU A 23 -3.323 -3.057 -4.551 1.00 24.33 H new ATOM 0 HG LEU A 23 -5.453 -1.851 -4.221 1.00 33.12 H new ATOM 0 HD11 LEU A 23 -7.396 -3.013 -3.232 1.00 50.45 H new ATOM 0 HD12 LEU A 23 -7.012 -3.631 -4.857 1.00 50.45 H new ATOM 0 HD13 LEU A 23 -6.551 -4.569 -3.416 1.00 50.45 H new ATOM 0 HD21 LEU A 23 -5.609 -2.131 -1.770 1.00 0.35 H new ATOM 0 HD22 LEU A 23 -4.686 -3.648 -1.891 1.00 0.35 H new ATOM 0 HD23 LEU A 23 -3.918 -2.102 -2.326 1.00 0.35 H new ATOM 386 N GLU A 24 -5.989 -2.022 -7.060 1.00 51.14 N ATOM 387 CA GLU A 24 -6.252 -0.774 -7.790 1.00 71.31 C ATOM 388 C GLU A 24 -6.081 0.460 -6.892 1.00 54.02 C ATOM 389 O GLU A 24 -6.306 0.404 -5.681 1.00 34.25 O ATOM 390 CB GLU A 24 -7.663 -0.801 -8.399 1.00 14.30 C ATOM 391 CG GLU A 24 -7.914 -2.015 -9.293 1.00 2.21 C ATOM 392 CD GLU A 24 -9.232 -1.946 -10.051 1.00 24.14 C ATOM 393 OE1 GLU A 24 -10.300 -2.051 -9.410 1.00 4.41 O ATOM 394 OE2 GLU A 24 -9.203 -1.807 -11.296 1.00 51.34 O ATOM 0 H GLU A 24 -6.828 -2.526 -6.774 1.00 51.14 H new ATOM 0 HA GLU A 24 -5.517 -0.700 -8.592 1.00 71.31 H new ATOM 0 HB2 GLU A 24 -8.398 -0.793 -7.594 1.00 14.30 H new ATOM 0 HB3 GLU A 24 -7.817 0.108 -8.981 1.00 14.30 H new ATOM 0 HG2 GLU A 24 -7.096 -2.105 -10.008 1.00 2.21 H new ATOM 0 HG3 GLU A 24 -7.903 -2.916 -8.680 1.00 2.21 H new ATOM 401 N LEU A 25 -5.682 1.576 -7.502 1.00 1.32 N ATOM 402 CA LEU A 25 -5.409 2.820 -6.767 1.00 30.34 C ATOM 403 C LEU A 25 -6.188 4.007 -7.361 1.00 4.44 C ATOM 404 O LEU A 25 -6.110 4.266 -8.560 1.00 25.12 O ATOM 405 CB LEU A 25 -3.901 3.127 -6.810 1.00 11.41 C ATOM 406 CG LEU A 25 -2.983 2.039 -6.226 1.00 43.43 C ATOM 407 CD1 LEU A 25 -1.515 2.410 -6.416 1.00 40.22 C ATOM 408 CD2 LEU A 25 -3.290 1.807 -4.748 1.00 11.44 C ATOM 0 H LEU A 25 -5.539 1.648 -8.509 1.00 1.32 H new ATOM 0 HA LEU A 25 -5.734 2.679 -5.736 1.00 30.34 H new ATOM 0 HB2 LEU A 25 -3.614 3.301 -7.847 1.00 11.41 H new ATOM 0 HB3 LEU A 25 -3.722 4.056 -6.269 1.00 11.41 H new ATOM 0 HG LEU A 25 -3.174 1.111 -6.765 1.00 43.43 H new ATOM 0 HD11 LEU A 25 -0.884 1.627 -5.996 1.00 40.22 H new ATOM 0 HD12 LEU A 25 -1.301 2.516 -7.480 1.00 40.22 H new ATOM 0 HD13 LEU A 25 -1.309 3.353 -5.909 1.00 40.22 H new ATOM 0 HD21 LEU A 25 -2.629 1.034 -4.356 1.00 11.44 H new ATOM 0 HD22 LEU A 25 -3.134 2.733 -4.194 1.00 11.44 H new ATOM 0 HD23 LEU A 25 -4.327 1.489 -4.637 1.00 11.44 H new ATOM 420 N LEU A 26 -6.957 4.709 -6.527 1.00 52.44 N ATOM 421 CA LEU A 26 -7.615 5.961 -6.934 1.00 44.50 C ATOM 422 C LEU A 26 -7.008 7.157 -6.175 1.00 12.21 C ATOM 423 O LEU A 26 -6.503 7.005 -5.060 1.00 12.12 O ATOM 424 CB LEU A 26 -9.138 5.889 -6.693 1.00 45.10 C ATOM 425 CG LEU A 26 -9.950 5.056 -7.708 1.00 31.52 C ATOM 426 CD1 LEU A 26 -9.775 5.607 -9.122 1.00 51.02 C ATOM 427 CD2 LEU A 26 -9.568 3.579 -7.650 1.00 61.31 C ATOM 0 H LEU A 26 -7.142 4.434 -5.562 1.00 52.44 H new ATOM 0 HA LEU A 26 -7.447 6.101 -8.002 1.00 44.50 H new ATOM 0 HB2 LEU A 26 -9.308 5.478 -5.698 1.00 45.10 H new ATOM 0 HB3 LEU A 26 -9.533 6.905 -6.690 1.00 45.10 H new ATOM 0 HG LEU A 26 -11.003 5.135 -7.436 1.00 31.52 H new ATOM 0 HD11 LEU A 26 -10.356 5.005 -9.821 1.00 51.02 H new ATOM 0 HD12 LEU A 26 -10.123 6.639 -9.156 1.00 51.02 H new ATOM 0 HD13 LEU A 26 -8.721 5.570 -9.399 1.00 51.02 H new ATOM 0 HD21 LEU A 26 -10.158 3.022 -8.377 1.00 61.31 H new ATOM 0 HD22 LEU A 26 -8.509 3.468 -7.881 1.00 61.31 H new ATOM 0 HD23 LEU A 26 -9.764 3.192 -6.650 1.00 61.31 H new ATOM 439 N PRO A 27 -7.044 8.374 -6.762 1.00 40.44 N ATOM 440 CA PRO A 27 -6.423 9.558 -6.145 1.00 2.34 C ATOM 441 C PRO A 27 -7.114 9.968 -4.835 1.00 72.33 C ATOM 442 O PRO A 27 -8.217 10.520 -4.845 1.00 75.53 O ATOM 443 CB PRO A 27 -6.583 10.648 -7.221 1.00 61.33 C ATOM 444 CG PRO A 27 -7.749 10.202 -8.041 1.00 71.14 C ATOM 445 CD PRO A 27 -7.697 8.697 -8.044 1.00 64.04 C ATOM 0 HA PRO A 27 -5.386 9.377 -5.863 1.00 2.34 H new ATOM 0 HB2 PRO A 27 -6.765 11.624 -6.772 1.00 61.33 H new ATOM 0 HB3 PRO A 27 -5.683 10.740 -7.829 1.00 61.33 H new ATOM 0 HG2 PRO A 27 -8.686 10.560 -7.615 1.00 71.14 H new ATOM 0 HG3 PRO A 27 -7.688 10.597 -9.055 1.00 71.14 H new ATOM 0 HD2 PRO A 27 -8.694 8.261 -8.108 1.00 64.04 H new ATOM 0 HD3 PRO A 27 -7.127 8.316 -8.892 1.00 64.04 H new ATOM 453 N GLY A 28 -6.463 9.688 -3.706 1.00 71.22 N ATOM 454 CA GLY A 28 -7.041 10.006 -2.403 1.00 23.32 C ATOM 455 C GLY A 28 -7.236 8.781 -1.509 1.00 63.24 C ATOM 456 O GLY A 28 -7.446 8.917 -0.303 1.00 15.42 O ATOM 0 H GLY A 28 -5.544 9.246 -3.668 1.00 71.22 H new ATOM 0 HA2 GLY A 28 -6.395 10.720 -1.892 1.00 23.32 H new ATOM 0 HA3 GLY A 28 -8.004 10.496 -2.551 1.00 23.32 H new ATOM 460 N ASP A 29 -7.175 7.585 -2.098 1.00 24.43 N ATOM 461 CA ASP A 29 -7.304 6.338 -1.335 1.00 30.01 C ATOM 462 C ASP A 29 -6.204 6.211 -0.266 1.00 34.23 C ATOM 463 O ASP A 29 -5.017 6.168 -0.585 1.00 53.11 O ATOM 464 CB ASP A 29 -7.232 5.123 -2.273 1.00 41.42 C ATOM 465 CG ASP A 29 -8.390 5.032 -3.250 1.00 23.42 C ATOM 466 OD1 ASP A 29 -9.272 5.918 -3.238 1.00 31.12 O ATOM 467 OD2 ASP A 29 -8.420 4.059 -4.032 1.00 34.21 O ATOM 0 H ASP A 29 -7.037 7.452 -3.100 1.00 24.43 H new ATOM 0 HA ASP A 29 -8.274 6.365 -0.838 1.00 30.01 H new ATOM 0 HB2 ASP A 29 -6.298 5.164 -2.834 1.00 41.42 H new ATOM 0 HB3 ASP A 29 -7.203 4.214 -1.673 1.00 41.42 H new ATOM 472 N VAL A 30 -6.602 6.152 1.001 1.00 23.32 N ATOM 473 CA VAL A 30 -5.652 5.941 2.098 1.00 31.52 C ATOM 474 C VAL A 30 -5.562 4.448 2.455 1.00 71.11 C ATOM 475 O VAL A 30 -6.340 3.939 3.258 1.00 4.23 O ATOM 476 CB VAL A 30 -6.056 6.756 3.354 1.00 53.35 C ATOM 477 CG1 VAL A 30 -5.032 6.580 4.474 1.00 20.31 C ATOM 478 CG2 VAL A 30 -6.228 8.233 3.003 1.00 43.12 C ATOM 0 H VAL A 30 -7.573 6.247 1.297 1.00 23.32 H new ATOM 0 HA VAL A 30 -4.675 6.287 1.760 1.00 31.52 H new ATOM 0 HB VAL A 30 -7.012 6.375 3.712 1.00 53.35 H new ATOM 0 HG11 VAL A 30 -5.339 7.162 5.343 1.00 20.31 H new ATOM 0 HG12 VAL A 30 -4.969 5.527 4.747 1.00 20.31 H new ATOM 0 HG13 VAL A 30 -4.056 6.926 4.133 1.00 20.31 H new ATOM 0 HG21 VAL A 30 -6.511 8.789 3.897 1.00 43.12 H new ATOM 0 HG22 VAL A 30 -5.289 8.626 2.614 1.00 43.12 H new ATOM 0 HG23 VAL A 30 -7.007 8.339 2.248 1.00 43.12 H new ATOM 488 N LEU A 31 -4.614 3.747 1.847 1.00 4.51 N ATOM 489 CA LEU A 31 -4.493 2.298 2.032 1.00 31.44 C ATOM 490 C LEU A 31 -3.812 1.944 3.360 1.00 60.21 C ATOM 491 O LEU A 31 -2.664 2.320 3.607 1.00 33.00 O ATOM 492 CB LEU A 31 -3.741 1.648 0.860 1.00 40.13 C ATOM 493 CG LEU A 31 -4.454 1.722 -0.506 1.00 0.24 C ATOM 494 CD1 LEU A 31 -4.340 3.117 -1.118 1.00 30.11 C ATOM 495 CD2 LEU A 31 -3.909 0.666 -1.463 1.00 13.33 C ATOM 0 H LEU A 31 -3.917 4.152 1.222 1.00 4.51 H new ATOM 0 HA LEU A 31 -5.507 1.899 2.059 1.00 31.44 H new ATOM 0 HB2 LEU A 31 -2.765 2.125 0.768 1.00 40.13 H new ATOM 0 HB3 LEU A 31 -3.563 0.600 1.101 1.00 40.13 H new ATOM 0 HG LEU A 31 -5.511 1.517 -0.338 1.00 0.24 H new ATOM 0 HD11 LEU A 31 -4.853 3.135 -2.080 1.00 30.11 H new ATOM 0 HD12 LEU A 31 -4.797 3.846 -0.449 1.00 30.11 H new ATOM 0 HD13 LEU A 31 -3.289 3.366 -1.262 1.00 30.11 H new ATOM 0 HD21 LEU A 31 -4.428 0.739 -2.419 1.00 13.33 H new ATOM 0 HD22 LEU A 31 -2.842 0.829 -1.616 1.00 13.33 H new ATOM 0 HD23 LEU A 31 -4.067 -0.326 -1.039 1.00 13.33 H new ATOM 507 N VAL A 32 -4.523 1.202 4.202 1.00 32.43 N ATOM 508 CA VAL A 32 -4.017 0.816 5.522 1.00 63.40 C ATOM 509 C VAL A 32 -3.320 -0.553 5.484 1.00 74.13 C ATOM 510 O VAL A 32 -3.961 -1.584 5.265 1.00 44.34 O ATOM 511 CB VAL A 32 -5.162 0.769 6.565 1.00 33.34 C ATOM 512 CG1 VAL A 32 -4.619 0.433 7.955 1.00 34.34 C ATOM 513 CG2 VAL A 32 -5.931 2.091 6.581 1.00 72.11 C ATOM 0 H VAL A 32 -5.458 0.852 3.995 1.00 32.43 H new ATOM 0 HA VAL A 32 -3.290 1.574 5.813 1.00 63.40 H new ATOM 0 HB VAL A 32 -5.855 -0.022 6.277 1.00 33.34 H new ATOM 0 HG11 VAL A 32 -5.441 0.406 8.670 1.00 34.34 H new ATOM 0 HG12 VAL A 32 -4.129 -0.540 7.929 1.00 34.34 H new ATOM 0 HG13 VAL A 32 -3.900 1.194 8.258 1.00 34.34 H new ATOM 0 HG21 VAL A 32 -6.731 2.038 7.320 1.00 72.11 H new ATOM 0 HG22 VAL A 32 -5.252 2.904 6.839 1.00 72.11 H new ATOM 0 HG23 VAL A 32 -6.359 2.275 5.596 1.00 72.11 H new ATOM 523 N VAL A 33 -2.004 -0.551 5.682 1.00 73.21 N ATOM 524 CA VAL A 33 -1.222 -1.791 5.736 1.00 14.32 C ATOM 525 C VAL A 33 -0.867 -2.153 7.185 1.00 62.11 C ATOM 526 O VAL A 33 -0.242 -1.363 7.897 1.00 13.42 O ATOM 527 CB VAL A 33 0.086 -1.673 4.911 1.00 63.31 C ATOM 528 CG1 VAL A 33 0.873 -2.985 4.940 1.00 70.42 C ATOM 529 CG2 VAL A 33 -0.221 -1.250 3.475 1.00 54.01 C ATOM 0 H VAL A 33 -1.452 0.297 5.809 1.00 73.21 H new ATOM 0 HA VAL A 33 -1.843 -2.577 5.306 1.00 14.32 H new ATOM 0 HB VAL A 33 0.708 -0.903 5.367 1.00 63.31 H new ATOM 0 HG11 VAL A 33 1.785 -2.875 4.354 1.00 70.42 H new ATOM 0 HG12 VAL A 33 1.131 -3.232 5.970 1.00 70.42 H new ATOM 0 HG13 VAL A 33 0.264 -3.784 4.517 1.00 70.42 H new ATOM 0 HG21 VAL A 33 0.709 -1.173 2.912 1.00 54.01 H new ATOM 0 HG22 VAL A 33 -0.868 -1.992 3.007 1.00 54.01 H new ATOM 0 HG23 VAL A 33 -0.724 -0.283 3.480 1.00 54.01 H new ATOM 539 N SER A 34 -1.268 -3.344 7.620 1.00 64.34 N ATOM 540 CA SER A 34 -0.980 -3.805 8.984 1.00 50.34 C ATOM 541 C SER A 34 0.522 -4.057 9.177 1.00 24.21 C ATOM 542 O SER A 34 1.197 -4.584 8.289 1.00 14.44 O ATOM 543 CB SER A 34 -1.771 -5.085 9.306 1.00 64.03 C ATOM 544 OG SER A 34 -1.391 -6.161 8.461 1.00 33.04 O ATOM 0 H SER A 34 -1.793 -4.010 7.053 1.00 64.34 H new ATOM 0 HA SER A 34 -1.290 -3.017 9.670 1.00 50.34 H new ATOM 0 HB2 SER A 34 -1.606 -5.363 10.347 1.00 64.03 H new ATOM 0 HB3 SER A 34 -2.838 -4.892 9.193 1.00 64.03 H new ATOM 0 HG SER A 34 -1.911 -6.959 8.693 1.00 33.04 H new ATOM 550 N ARG A 35 1.050 -3.674 10.340 1.00 74.14 N ATOM 551 CA ARG A 35 2.475 -3.859 10.628 1.00 25.51 C ATOM 552 C ARG A 35 2.839 -5.353 10.665 1.00 1.20 C ATOM 553 O ARG A 35 3.950 -5.743 10.298 1.00 2.13 O ATOM 554 CB ARG A 35 2.859 -3.175 11.951 1.00 0.24 C ATOM 555 CG ARG A 35 4.349 -3.268 12.270 1.00 3.12 C ATOM 556 CD ARG A 35 4.748 -2.411 13.466 1.00 24.54 C ATOM 557 NE ARG A 35 6.176 -2.529 13.750 1.00 25.00 N ATOM 558 CZ ARG A 35 7.082 -1.669 13.370 1.00 41.03 C ATOM 559 NH1 ARG A 35 6.744 -0.575 12.768 1.00 71.43 N ATOM 560 NH2 ARG A 35 8.329 -1.900 13.615 1.00 22.24 N ATOM 0 H ARG A 35 0.519 -3.237 11.093 1.00 74.14 H new ATOM 0 HA ARG A 35 3.043 -3.391 9.824 1.00 25.51 H new ATOM 0 HB2 ARG A 35 2.569 -2.125 11.906 1.00 0.24 H new ATOM 0 HB3 ARG A 35 2.292 -3.628 12.764 1.00 0.24 H new ATOM 0 HG2 ARG A 35 4.610 -4.307 12.470 1.00 3.12 H new ATOM 0 HG3 ARG A 35 4.924 -2.957 11.397 1.00 3.12 H new ATOM 0 HD2 ARG A 35 4.499 -1.368 13.268 1.00 24.54 H new ATOM 0 HD3 ARG A 35 4.174 -2.715 14.342 1.00 24.54 H new ATOM 0 HE ARG A 35 6.488 -3.341 14.283 1.00 25.00 H new ATOM 0 HH11 ARG A 35 5.760 -0.376 12.585 1.00 71.43 H new ATOM 0 HH12 ARG A 35 7.461 0.089 12.476 1.00 71.43 H new ATOM 0 HH21 ARG A 35 8.603 -2.752 14.104 1.00 22.24 H new ATOM 0 HH22 ARG A 35 9.039 -1.230 13.320 1.00 22.24 H new ATOM 574 N ALA A 36 1.892 -6.180 11.102 1.00 12.34 N ATOM 575 CA ALA A 36 2.052 -7.636 11.065 1.00 71.24 C ATOM 576 C ALA A 36 2.302 -8.134 9.630 1.00 65.32 C ATOM 577 O ALA A 36 3.147 -9.001 9.402 1.00 10.03 O ATOM 578 CB ALA A 36 0.820 -8.310 11.653 1.00 43.41 C ATOM 0 H ALA A 36 1.001 -5.867 11.488 1.00 12.34 H new ATOM 0 HA ALA A 36 2.923 -7.898 11.665 1.00 71.24 H new ATOM 0 HB1 ALA A 36 0.947 -9.392 11.622 1.00 43.41 H new ATOM 0 HB2 ALA A 36 0.689 -7.990 12.687 1.00 43.41 H new ATOM 0 HB3 ALA A 36 -0.059 -8.031 11.072 1.00 43.41 H new ATOM 584 N ALA A 37 1.566 -7.574 8.665 1.00 63.40 N ATOM 585 CA ALA A 37 1.768 -7.899 7.248 1.00 2.30 C ATOM 586 C ALA A 37 3.199 -7.561 6.802 1.00 34.44 C ATOM 587 O ALA A 37 3.848 -8.343 6.107 1.00 53.21 O ATOM 588 CB ALA A 37 0.753 -7.158 6.387 1.00 5.41 C ATOM 0 H ALA A 37 0.826 -6.894 8.838 1.00 63.40 H new ATOM 0 HA ALA A 37 1.621 -8.972 7.121 1.00 2.30 H new ATOM 0 HB1 ALA A 37 0.914 -7.408 5.338 1.00 5.41 H new ATOM 0 HB2 ALA A 37 -0.255 -7.451 6.679 1.00 5.41 H new ATOM 0 HB3 ALA A 37 0.873 -6.084 6.526 1.00 5.41 H new ATOM 594 N LEU A 38 3.688 -6.395 7.222 1.00 20.34 N ATOM 595 CA LEU A 38 5.064 -5.974 6.925 1.00 33.21 C ATOM 596 C LEU A 38 6.089 -6.979 7.479 1.00 25.12 C ATOM 597 O LEU A 38 7.068 -7.320 6.809 1.00 61.22 O ATOM 598 CB LEU A 38 5.329 -4.578 7.508 1.00 31.20 C ATOM 599 CG LEU A 38 4.448 -3.452 6.944 1.00 22.25 C ATOM 600 CD1 LEU A 38 4.755 -2.128 7.641 1.00 31.03 C ATOM 601 CD2 LEU A 38 4.638 -3.325 5.432 1.00 71.04 C ATOM 0 H LEU A 38 3.154 -5.721 7.770 1.00 20.34 H new ATOM 0 HA LEU A 38 5.177 -5.939 5.841 1.00 33.21 H new ATOM 0 HB2 LEU A 38 5.188 -4.621 8.588 1.00 31.20 H new ATOM 0 HB3 LEU A 38 6.374 -4.322 7.333 1.00 31.20 H new ATOM 0 HG LEU A 38 3.405 -3.704 7.136 1.00 22.25 H new ATOM 0 HD11 LEU A 38 4.121 -1.344 7.228 1.00 31.03 H new ATOM 0 HD12 LEU A 38 4.561 -2.226 8.709 1.00 31.03 H new ATOM 0 HD13 LEU A 38 5.802 -1.869 7.484 1.00 31.03 H new ATOM 0 HD21 LEU A 38 4.006 -2.523 5.052 1.00 71.04 H new ATOM 0 HD22 LEU A 38 5.682 -3.099 5.214 1.00 71.04 H new ATOM 0 HD23 LEU A 38 4.362 -4.263 4.951 1.00 71.04 H new ATOM 613 N GLN A 39 5.855 -7.455 8.704 1.00 15.15 N ATOM 614 CA GLN A 39 6.713 -8.478 9.313 1.00 75.31 C ATOM 615 C GLN A 39 6.638 -9.800 8.528 1.00 22.41 C ATOM 616 O GLN A 39 7.638 -10.501 8.372 1.00 32.43 O ATOM 617 CB GLN A 39 6.318 -8.712 10.781 1.00 1.42 C ATOM 618 CG GLN A 39 6.435 -7.475 11.670 1.00 54.24 C ATOM 619 CD GLN A 39 7.840 -6.886 11.706 1.00 31.23 C ATOM 620 OE1 GLN A 39 8.831 -7.585 11.527 1.00 35.34 O ATOM 621 NE2 GLN A 39 7.937 -5.595 11.952 1.00 13.02 N ATOM 0 H GLN A 39 5.081 -7.150 9.294 1.00 15.15 H new ATOM 0 HA GLN A 39 7.740 -8.116 9.279 1.00 75.31 H new ATOM 0 HB2 GLN A 39 5.290 -9.073 10.815 1.00 1.42 H new ATOM 0 HB3 GLN A 39 6.947 -9.501 11.193 1.00 1.42 H new ATOM 0 HG2 GLN A 39 5.739 -6.715 11.315 1.00 54.24 H new ATOM 0 HG3 GLN A 39 6.132 -7.736 12.684 1.00 54.24 H new ATOM 0 HE21 GLN A 39 7.094 -5.039 12.097 1.00 13.02 H new ATOM 0 HE22 GLN A 39 8.855 -5.152 11.998 1.00 13.02 H new ATOM 630 N ALA A 40 5.443 -10.127 8.029 1.00 63.31 N ATOM 631 CA ALA A 40 5.242 -11.324 7.202 1.00 12.43 C ATOM 632 C ALA A 40 5.980 -11.210 5.857 1.00 75.41 C ATOM 633 O ALA A 40 6.470 -12.204 5.316 1.00 71.55 O ATOM 634 CB ALA A 40 3.752 -11.562 6.976 1.00 63.43 C ATOM 0 H ALA A 40 4.597 -9.579 8.183 1.00 63.31 H new ATOM 0 HA ALA A 40 5.661 -12.177 7.736 1.00 12.43 H new ATOM 0 HB1 ALA A 40 3.615 -12.452 6.362 1.00 63.43 H new ATOM 0 HB2 ALA A 40 3.256 -11.704 7.936 1.00 63.43 H new ATOM 0 HB3 ALA A 40 3.319 -10.700 6.468 1.00 63.43 H new ATOM 640 N LEU A 41 6.050 -9.991 5.325 1.00 53.41 N ATOM 641 CA LEU A 41 6.797 -9.720 4.089 1.00 34.12 C ATOM 642 C LEU A 41 8.317 -9.776 4.324 1.00 24.21 C ATOM 643 O LEU A 41 9.096 -9.951 3.383 1.00 64.34 O ATOM 644 CB LEU A 41 6.432 -8.336 3.540 1.00 71.13 C ATOM 645 CG LEU A 41 4.954 -8.119 3.181 1.00 3.41 C ATOM 646 CD1 LEU A 41 4.723 -6.672 2.757 1.00 54.01 C ATOM 647 CD2 LEU A 41 4.514 -9.085 2.081 1.00 12.13 C ATOM 0 H LEU A 41 5.598 -9.170 5.729 1.00 53.41 H new ATOM 0 HA LEU A 41 6.524 -10.492 3.369 1.00 34.12 H new ATOM 0 HB2 LEU A 41 6.719 -7.587 4.279 1.00 71.13 H new ATOM 0 HB3 LEU A 41 7.032 -8.151 2.649 1.00 71.13 H new ATOM 0 HG LEU A 41 4.349 -8.322 4.065 1.00 3.41 H new ATOM 0 HD11 LEU A 41 3.672 -6.530 2.505 1.00 54.01 H new ATOM 0 HD12 LEU A 41 4.993 -6.005 3.576 1.00 54.01 H new ATOM 0 HD13 LEU A 41 5.339 -6.445 1.887 1.00 54.01 H new ATOM 0 HD21 LEU A 41 3.464 -8.912 1.844 1.00 12.13 H new ATOM 0 HD22 LEU A 41 5.119 -8.921 1.189 1.00 12.13 H new ATOM 0 HD23 LEU A 41 4.644 -10.111 2.424 1.00 12.13 H new ATOM 659 N GLY A 42 8.730 -9.620 5.580 1.00 71.50 N ATOM 660 CA GLY A 42 10.151 -9.570 5.911 1.00 61.21 C ATOM 661 C GLY A 42 10.753 -8.178 5.724 1.00 71.53 C ATOM 662 O GLY A 42 11.948 -8.039 5.448 1.00 14.20 O ATOM 0 H GLY A 42 8.105 -9.527 6.380 1.00 71.50 H new ATOM 0 HA2 GLY A 42 10.290 -9.885 6.945 1.00 61.21 H new ATOM 0 HA3 GLY A 42 10.690 -10.281 5.286 1.00 61.21 H new ATOM 666 N VAL A 43 9.924 -7.148 5.881 1.00 61.13 N ATOM 667 CA VAL A 43 10.362 -5.758 5.706 1.00 11.23 C ATOM 668 C VAL A 43 11.127 -5.253 6.939 1.00 4.42 C ATOM 669 O VAL A 43 10.620 -5.306 8.061 1.00 32.15 O ATOM 670 CB VAL A 43 9.157 -4.817 5.437 1.00 3.33 C ATOM 671 CG1 VAL A 43 9.619 -3.373 5.235 1.00 21.44 C ATOM 672 CG2 VAL A 43 8.352 -5.304 4.233 1.00 43.13 C ATOM 0 H VAL A 43 8.940 -7.247 6.130 1.00 61.13 H new ATOM 0 HA VAL A 43 11.027 -5.744 4.843 1.00 11.23 H new ATOM 0 HB VAL A 43 8.510 -4.840 6.314 1.00 3.33 H new ATOM 0 HG11 VAL A 43 8.754 -2.737 5.049 1.00 21.44 H new ATOM 0 HG12 VAL A 43 10.137 -3.028 6.130 1.00 21.44 H new ATOM 0 HG13 VAL A 43 10.296 -3.324 4.382 1.00 21.44 H new ATOM 0 HG21 VAL A 43 7.512 -4.631 4.061 1.00 43.13 H new ATOM 0 HG22 VAL A 43 8.991 -5.320 3.350 1.00 43.13 H new ATOM 0 HG23 VAL A 43 7.978 -6.309 4.428 1.00 43.13 H new ATOM 682 N ALA A 44 12.346 -4.770 6.721 1.00 20.12 N ATOM 683 CA ALA A 44 13.173 -4.234 7.803 1.00 41.40 C ATOM 684 C ALA A 44 12.616 -2.910 8.341 1.00 61.32 C ATOM 685 O ALA A 44 12.154 -2.056 7.576 1.00 31.22 O ATOM 686 CB ALA A 44 14.602 -4.043 7.317 1.00 22.41 C ATOM 0 H ALA A 44 12.787 -4.738 5.802 1.00 20.12 H new ATOM 0 HA ALA A 44 13.160 -4.954 8.622 1.00 41.40 H new ATOM 0 HB1 ALA A 44 15.212 -3.644 8.128 1.00 22.41 H new ATOM 0 HB2 ALA A 44 15.008 -5.002 6.996 1.00 22.41 H new ATOM 0 HB3 ALA A 44 14.611 -3.346 6.479 1.00 22.41 H new ATOM 692 N GLU A 45 12.657 -2.749 9.660 1.00 14.43 N ATOM 693 CA GLU A 45 12.220 -1.507 10.308 1.00 11.42 C ATOM 694 C GLU A 45 12.983 -0.291 9.749 1.00 52.42 C ATOM 695 O GLU A 45 14.213 -0.235 9.795 1.00 15.32 O ATOM 696 CB GLU A 45 12.395 -1.606 11.839 1.00 41.33 C ATOM 697 CG GLU A 45 13.842 -1.732 12.333 1.00 61.33 C ATOM 698 CD GLU A 45 14.573 -2.958 11.793 1.00 35.30 C ATOM 699 OE1 GLU A 45 14.018 -4.075 11.880 1.00 3.52 O ATOM 700 OE2 GLU A 45 15.697 -2.802 11.263 1.00 54.45 O ATOM 0 H GLU A 45 12.989 -3.464 10.307 1.00 14.43 H new ATOM 0 HA GLU A 45 11.162 -1.366 10.090 1.00 11.42 H new ATOM 0 HB2 GLU A 45 11.950 -0.722 12.296 1.00 41.33 H new ATOM 0 HB3 GLU A 45 11.831 -2.468 12.196 1.00 41.33 H new ATOM 0 HG2 GLU A 45 14.393 -0.836 12.046 1.00 61.33 H new ATOM 0 HG3 GLU A 45 13.842 -1.771 13.422 1.00 61.33 H new ATOM 707 N GLY A 46 12.247 0.681 9.218 1.00 5.02 N ATOM 708 CA GLY A 46 12.874 1.821 8.554 1.00 54.21 C ATOM 709 C GLY A 46 12.599 1.845 7.052 1.00 72.10 C ATOM 710 O GLY A 46 12.839 2.856 6.382 1.00 10.04 O ATOM 0 H GLY A 46 11.227 0.704 9.233 1.00 5.02 H new ATOM 0 HA2 GLY A 46 12.508 2.745 9.002 1.00 54.21 H new ATOM 0 HA3 GLY A 46 13.950 1.789 8.723 1.00 54.21 H new ATOM 714 N GLY A 47 12.092 0.730 6.523 1.00 42.23 N ATOM 715 CA GLY A 47 11.769 0.642 5.100 1.00 74.40 C ATOM 716 C GLY A 47 10.402 1.226 4.751 1.00 51.54 C ATOM 717 O GLY A 47 10.177 1.657 3.619 1.00 34.43 O ATOM 0 H GLY A 47 11.898 -0.118 7.055 1.00 42.23 H new ATOM 0 HA2 GLY A 47 12.536 1.164 4.528 1.00 74.40 H new ATOM 0 HA3 GLY A 47 11.799 -0.403 4.792 1.00 74.40 H new ATOM 721 N GLU A 48 9.492 1.250 5.726 1.00 20.24 N ATOM 722 CA GLU A 48 8.126 1.758 5.511 1.00 64.12 C ATOM 723 C GLU A 48 8.124 3.225 5.038 1.00 51.11 C ATOM 724 O GLU A 48 7.213 3.658 4.332 1.00 71.51 O ATOM 725 CB GLU A 48 7.282 1.606 6.793 1.00 44.43 C ATOM 726 CG GLU A 48 7.706 2.501 7.959 1.00 20.11 C ATOM 727 CD GLU A 48 9.127 2.238 8.436 1.00 42.43 C ATOM 728 OE1 GLU A 48 9.388 1.141 8.972 1.00 11.10 O ATOM 729 OE2 GLU A 48 9.993 3.119 8.257 1.00 2.40 O ATOM 0 H GLU A 48 9.672 0.924 6.676 1.00 20.24 H new ATOM 0 HA GLU A 48 7.679 1.157 4.719 1.00 64.12 H new ATOM 0 HB2 GLU A 48 6.241 1.819 6.551 1.00 44.43 H new ATOM 0 HB3 GLU A 48 7.327 0.567 7.118 1.00 44.43 H new ATOM 0 HG2 GLU A 48 7.619 3.545 7.657 1.00 20.11 H new ATOM 0 HG3 GLU A 48 7.018 2.352 8.791 1.00 20.11 H new ATOM 736 N ARG A 49 9.153 3.981 5.430 1.00 61.01 N ATOM 737 CA ARG A 49 9.319 5.373 4.982 1.00 61.31 C ATOM 738 C ARG A 49 9.355 5.483 3.448 1.00 53.44 C ATOM 739 O ARG A 49 8.972 6.509 2.883 1.00 60.14 O ATOM 740 CB ARG A 49 10.607 5.966 5.562 1.00 52.22 C ATOM 741 CG ARG A 49 10.628 6.045 7.083 1.00 53.12 C ATOM 742 CD ARG A 49 11.999 6.470 7.594 1.00 72.21 C ATOM 743 NE ARG A 49 13.050 5.562 7.128 1.00 65.31 N ATOM 744 CZ ARG A 49 14.225 5.949 6.702 1.00 64.22 C ATOM 745 NH1 ARG A 49 14.529 7.205 6.661 1.00 10.15 N ATOM 746 NH2 ARG A 49 15.086 5.077 6.293 1.00 22.05 N ATOM 0 H ARG A 49 9.887 3.655 6.058 1.00 61.01 H new ATOM 0 HA ARG A 49 8.456 5.933 5.343 1.00 61.31 H new ATOM 0 HB2 ARG A 49 11.453 5.365 5.229 1.00 52.22 H new ATOM 0 HB3 ARG A 49 10.748 6.967 5.155 1.00 52.22 H new ATOM 0 HG2 ARG A 49 9.874 6.755 7.423 1.00 53.12 H new ATOM 0 HG3 ARG A 49 10.365 5.075 7.504 1.00 53.12 H new ATOM 0 HD2 ARG A 49 12.216 7.483 7.257 1.00 72.21 H new ATOM 0 HD3 ARG A 49 11.992 6.491 8.684 1.00 72.21 H new ATOM 0 HE ARG A 49 12.853 4.561 7.136 1.00 65.31 H new ATOM 0 HH11 ARG A 49 13.850 7.904 6.962 1.00 10.15 H new ATOM 0 HH12 ARG A 49 15.448 7.497 6.327 1.00 10.15 H new ATOM 0 HH21 ARG A 49 14.850 4.085 6.302 1.00 22.05 H new ATOM 0 HH22 ARG A 49 16.001 5.381 5.961 1.00 22.05 H new ATOM 760 N CYS A 50 9.828 4.430 2.781 1.00 22.55 N ATOM 761 CA CYS A 50 9.912 4.406 1.310 1.00 4.32 C ATOM 762 C CYS A 50 9.357 3.086 0.746 1.00 24.02 C ATOM 763 O CYS A 50 10.109 2.141 0.483 1.00 35.23 O ATOM 764 CB CYS A 50 11.362 4.609 0.840 1.00 21.32 C ATOM 765 SG CYS A 50 12.081 6.206 1.303 1.00 63.14 S ATOM 0 H CYS A 50 10.161 3.578 3.232 1.00 22.55 H new ATOM 0 HA CYS A 50 9.304 5.228 0.932 1.00 4.32 H new ATOM 0 HB2 CYS A 50 11.980 3.812 1.254 1.00 21.32 H new ATOM 0 HB3 CYS A 50 11.397 4.509 -0.245 1.00 21.32 H new ATOM 0 HG CYS A 50 13.302 6.276 0.863 1.00 63.14 H new ATOM 771 N PRO A 51 8.025 3.006 0.548 1.00 53.14 N ATOM 772 CA PRO A 51 7.351 1.771 0.089 1.00 32.14 C ATOM 773 C PRO A 51 7.881 1.247 -1.259 1.00 30.31 C ATOM 774 O PRO A 51 7.766 0.056 -1.562 1.00 73.24 O ATOM 775 CB PRO A 51 5.871 2.192 -0.031 1.00 52.42 C ATOM 776 CG PRO A 51 5.893 3.684 -0.090 1.00 63.33 C ATOM 777 CD PRO A 51 7.064 4.105 0.753 1.00 44.15 C ATOM 0 HA PRO A 51 7.522 0.946 0.780 1.00 32.14 H new ATOM 0 HB2 PRO A 51 5.412 1.769 -0.925 1.00 52.42 H new ATOM 0 HB3 PRO A 51 5.291 1.840 0.822 1.00 52.42 H new ATOM 0 HG2 PRO A 51 6.003 4.034 -1.116 1.00 63.33 H new ATOM 0 HG3 PRO A 51 4.963 4.105 0.292 1.00 63.33 H new ATOM 0 HD2 PRO A 51 7.471 5.064 0.431 1.00 44.15 H new ATOM 0 HD3 PRO A 51 6.789 4.212 1.802 1.00 44.15 H new ATOM 785 N GLN A 52 8.467 2.136 -2.060 1.00 21.22 N ATOM 786 CA GLN A 52 9.030 1.758 -3.366 1.00 41.32 C ATOM 787 C GLN A 52 10.144 0.704 -3.228 1.00 44.32 C ATOM 788 O GLN A 52 10.425 -0.040 -4.167 1.00 33.22 O ATOM 789 CB GLN A 52 9.579 2.995 -4.093 1.00 21.21 C ATOM 790 CG GLN A 52 10.743 3.673 -3.372 1.00 22.12 C ATOM 791 CD GLN A 52 11.415 4.757 -4.203 1.00 1.30 C ATOM 792 OE1 GLN A 52 11.916 5.742 -3.670 1.00 10.44 O ATOM 793 NE2 GLN A 52 11.461 4.576 -5.510 1.00 74.52 N ATOM 0 H GLN A 52 8.567 3.125 -1.832 1.00 21.22 H new ATOM 0 HA GLN A 52 8.221 1.320 -3.950 1.00 41.32 H new ATOM 0 HB2 GLN A 52 9.904 2.703 -5.091 1.00 21.21 H new ATOM 0 HB3 GLN A 52 8.773 3.717 -4.219 1.00 21.21 H new ATOM 0 HG2 GLN A 52 10.380 4.110 -2.442 1.00 22.12 H new ATOM 0 HG3 GLN A 52 11.483 2.920 -3.103 1.00 22.12 H new ATOM 0 HE21 GLN A 52 11.036 3.747 -5.925 1.00 74.52 H new ATOM 0 HE22 GLN A 52 11.922 5.265 -6.104 1.00 74.52 H new ATOM 802 N SER A 53 10.779 0.654 -2.056 1.00 2.33 N ATOM 803 CA SER A 53 11.875 -0.294 -1.804 1.00 74.02 C ATOM 804 C SER A 53 11.377 -1.749 -1.806 1.00 73.11 C ATOM 805 O SER A 53 12.103 -2.673 -2.187 1.00 70.41 O ATOM 806 CB SER A 53 12.554 0.018 -0.461 1.00 14.55 C ATOM 807 OG SER A 53 13.645 -0.857 -0.213 1.00 14.11 O ATOM 0 H SER A 53 10.556 1.257 -1.264 1.00 2.33 H new ATOM 0 HA SER A 53 12.598 -0.180 -2.612 1.00 74.02 H new ATOM 0 HB2 SER A 53 12.906 1.049 -0.461 1.00 14.55 H new ATOM 0 HB3 SER A 53 11.826 -0.070 0.345 1.00 14.55 H new ATOM 0 HG SER A 53 14.056 -0.632 0.648 1.00 14.11 H new ATOM 813 N VAL A 54 10.130 -1.943 -1.380 1.00 64.05 N ATOM 814 CA VAL A 54 9.526 -3.279 -1.315 1.00 1.12 C ATOM 815 C VAL A 54 8.768 -3.616 -2.613 1.00 72.40 C ATOM 816 O VAL A 54 9.054 -4.619 -3.272 1.00 1.20 O ATOM 817 CB VAL A 54 8.556 -3.398 -0.111 1.00 0.44 C ATOM 818 CG1 VAL A 54 7.990 -4.815 0.002 1.00 61.02 C ATOM 819 CG2 VAL A 54 9.251 -2.984 1.185 1.00 73.12 C ATOM 0 H VAL A 54 9.514 -1.191 -1.073 1.00 64.05 H new ATOM 0 HA VAL A 54 10.342 -3.990 -1.187 1.00 1.12 H new ATOM 0 HB VAL A 54 7.721 -2.718 -0.282 1.00 0.44 H new ATOM 0 HG11 VAL A 54 7.313 -4.870 0.855 1.00 61.02 H new ATOM 0 HG12 VAL A 54 7.446 -5.063 -0.909 1.00 61.02 H new ATOM 0 HG13 VAL A 54 8.807 -5.523 0.141 1.00 61.02 H new ATOM 0 HG21 VAL A 54 8.553 -3.075 2.017 1.00 73.12 H new ATOM 0 HG22 VAL A 54 10.110 -3.631 1.360 1.00 73.12 H new ATOM 0 HG23 VAL A 54 9.586 -1.950 1.104 1.00 73.12 H new ATOM 829 N GLY A 55 7.800 -2.773 -2.974 1.00 42.25 N ATOM 830 CA GLY A 55 7.019 -2.991 -4.190 1.00 14.01 C ATOM 831 C GLY A 55 5.557 -3.322 -3.913 1.00 51.33 C ATOM 832 O GLY A 55 4.718 -2.428 -3.855 1.00 1.10 O ATOM 0 H GLY A 55 7.540 -1.940 -2.446 1.00 42.25 H new ATOM 0 HA2 GLY A 55 7.071 -2.098 -4.813 1.00 14.01 H new ATOM 0 HA3 GLY A 55 7.467 -3.804 -4.761 1.00 14.01 H new ATOM 836 N TRP A 56 5.252 -4.607 -3.746 1.00 1.11 N ATOM 837 CA TRP A 56 3.872 -5.056 -3.515 1.00 2.34 C ATOM 838 C TRP A 56 3.611 -5.408 -2.042 1.00 15.43 C ATOM 839 O TRP A 56 4.077 -6.435 -1.541 1.00 15.33 O ATOM 840 CB TRP A 56 3.552 -6.268 -4.401 1.00 54.21 C ATOM 841 CG TRP A 56 3.410 -5.924 -5.856 1.00 23.52 C ATOM 842 CD1 TRP A 56 2.631 -4.937 -6.383 1.00 24.32 C ATOM 843 CD2 TRP A 56 4.044 -6.573 -6.969 1.00 25.42 C ATOM 844 NE1 TRP A 56 2.744 -4.926 -7.750 1.00 42.34 N ATOM 845 CE2 TRP A 56 3.601 -5.920 -8.135 1.00 15.45 C ATOM 846 CE3 TRP A 56 4.940 -7.641 -7.093 1.00 34.11 C ATOM 847 CZ2 TRP A 56 4.023 -6.298 -9.407 1.00 72.33 C ATOM 848 CZ3 TRP A 56 5.358 -8.014 -8.359 1.00 75.42 C ATOM 849 CH2 TRP A 56 4.900 -7.343 -9.500 1.00 12.32 C ATOM 0 H TRP A 56 5.940 -5.360 -3.766 1.00 1.11 H new ATOM 0 HA TRP A 56 3.218 -4.224 -3.776 1.00 2.34 H new ATOM 0 HB2 TRP A 56 4.342 -7.011 -4.287 1.00 54.21 H new ATOM 0 HB3 TRP A 56 2.628 -6.729 -4.053 1.00 54.21 H new ATOM 0 HD1 TRP A 56 2.015 -4.262 -5.808 1.00 24.32 H new ATOM 0 HE1 TRP A 56 2.266 -4.280 -8.378 1.00 42.34 H new ATOM 0 HE3 TRP A 56 5.298 -8.164 -6.218 1.00 34.11 H new ATOM 0 HZ2 TRP A 56 3.670 -5.784 -10.289 1.00 72.33 H new ATOM 0 HZ3 TRP A 56 6.049 -8.837 -8.469 1.00 75.42 H new ATOM 0 HH2 TRP A 56 5.247 -7.657 -10.473 1.00 12.32 H new ATOM 860 N MET A 57 2.857 -4.546 -1.361 1.00 72.34 N ATOM 861 CA MET A 57 2.448 -4.788 0.028 1.00 13.43 C ATOM 862 C MET A 57 0.918 -4.925 0.128 1.00 2.14 C ATOM 863 O MET A 57 0.183 -4.163 -0.504 1.00 55.32 O ATOM 864 CB MET A 57 2.920 -3.645 0.942 1.00 74.13 C ATOM 865 CG MET A 57 4.432 -3.435 0.968 1.00 4.34 C ATOM 866 SD MET A 57 5.090 -2.832 -0.601 1.00 10.44 S ATOM 867 CE MET A 57 4.191 -1.295 -0.781 1.00 54.14 C ATOM 0 H MET A 57 2.514 -3.667 -1.749 1.00 72.34 H new ATOM 0 HA MET A 57 2.912 -5.719 0.354 1.00 13.43 H new ATOM 0 HB2 MET A 57 2.443 -2.719 0.620 1.00 74.13 H new ATOM 0 HB3 MET A 57 2.576 -3.844 1.957 1.00 74.13 H new ATOM 0 HG2 MET A 57 4.681 -2.725 1.756 1.00 4.34 H new ATOM 0 HG3 MET A 57 4.919 -4.376 1.222 1.00 4.34 H new ATOM 0 HE1 MET A 57 3.472 -1.387 -1.595 1.00 54.14 H new ATOM 0 HE2 MET A 57 3.663 -1.072 0.146 1.00 54.14 H new ATOM 0 HE3 MET A 57 4.890 -0.489 -1.004 1.00 54.14 H new ATOM 877 N PRO A 58 0.416 -5.896 0.920 1.00 0.42 N ATOM 878 CA PRO A 58 -1.029 -6.079 1.119 1.00 45.43 C ATOM 879 C PRO A 58 -1.640 -5.009 2.042 1.00 71.53 C ATOM 880 O PRO A 58 -1.275 -4.896 3.215 1.00 3.15 O ATOM 881 CB PRO A 58 -1.120 -7.473 1.753 1.00 44.44 C ATOM 882 CG PRO A 58 0.179 -7.651 2.468 1.00 34.34 C ATOM 883 CD PRO A 58 1.208 -6.895 1.665 1.00 3.33 C ATOM 0 HA PRO A 58 -1.588 -5.984 0.188 1.00 45.43 H new ATOM 0 HB2 PRO A 58 -1.963 -7.541 2.441 1.00 44.44 H new ATOM 0 HB3 PRO A 58 -1.264 -8.244 0.996 1.00 44.44 H new ATOM 0 HG2 PRO A 58 0.119 -7.265 3.486 1.00 34.34 H new ATOM 0 HG3 PRO A 58 0.441 -8.706 2.542 1.00 34.34 H new ATOM 0 HD2 PRO A 58 1.946 -6.419 2.310 1.00 3.33 H new ATOM 0 HD3 PRO A 58 1.753 -7.556 0.991 1.00 3.33 H new ATOM 891 N GLY A 59 -2.568 -4.221 1.501 1.00 61.34 N ATOM 892 CA GLY A 59 -3.212 -3.168 2.283 1.00 73.23 C ATOM 893 C GLY A 59 -4.716 -3.072 2.043 1.00 71.42 C ATOM 894 O GLY A 59 -5.260 -3.736 1.156 1.00 32.34 O ATOM 0 H GLY A 59 -2.888 -4.290 0.535 1.00 61.34 H new ATOM 0 HA2 GLY A 59 -3.031 -3.350 3.342 1.00 73.23 H new ATOM 0 HA3 GLY A 59 -2.750 -2.211 2.040 1.00 73.23 H new ATOM 898 N LEU A 60 -5.387 -2.240 2.836 1.00 2.32 N ATOM 899 CA LEU A 60 -6.836 -2.036 2.711 1.00 73.32 C ATOM 900 C LEU A 60 -7.162 -0.776 1.891 1.00 31.12 C ATOM 901 O LEU A 60 -6.860 0.343 2.304 1.00 52.04 O ATOM 902 CB LEU A 60 -7.477 -1.931 4.105 1.00 3.42 C ATOM 903 CG LEU A 60 -9.000 -1.694 4.119 1.00 54.42 C ATOM 904 CD1 LEU A 60 -9.735 -2.833 3.414 1.00 22.03 C ATOM 905 CD2 LEU A 60 -9.510 -1.527 5.552 1.00 41.04 C ATOM 0 H LEU A 60 -4.951 -1.691 3.577 1.00 2.32 H new ATOM 0 HA LEU A 60 -7.248 -2.897 2.184 1.00 73.32 H new ATOM 0 HB2 LEU A 60 -7.265 -2.849 4.653 1.00 3.42 H new ATOM 0 HB3 LEU A 60 -6.995 -1.117 4.647 1.00 3.42 H new ATOM 0 HG LEU A 60 -9.203 -0.772 3.575 1.00 54.42 H new ATOM 0 HD11 LEU A 60 -10.808 -2.643 3.437 1.00 22.03 H new ATOM 0 HD12 LEU A 60 -9.400 -2.897 2.379 1.00 22.03 H new ATOM 0 HD13 LEU A 60 -9.522 -3.773 3.923 1.00 22.03 H new ATOM 0 HD21 LEU A 60 -10.587 -1.361 5.538 1.00 41.04 H new ATOM 0 HD22 LEU A 60 -9.289 -2.428 6.124 1.00 41.04 H new ATOM 0 HD23 LEU A 60 -9.017 -0.673 6.016 1.00 41.04 H new ATOM 917 N ASN A 61 -7.773 -0.971 0.725 1.00 1.22 N ATOM 918 CA ASN A 61 -8.176 0.140 -0.146 1.00 61.24 C ATOM 919 C ASN A 61 -9.422 0.876 0.404 1.00 11.55 C ATOM 920 O ASN A 61 -10.469 0.270 0.602 1.00 13.41 O ATOM 921 CB ASN A 61 -8.453 -0.398 -1.558 1.00 5.25 C ATOM 922 CG ASN A 61 -9.003 0.663 -2.486 1.00 42.55 C ATOM 923 OD1 ASN A 61 -10.209 0.842 -2.580 1.00 11.21 O ATOM 924 ND2 ASN A 61 -8.134 1.377 -3.170 1.00 35.01 N ATOM 0 H ASN A 61 -8.003 -1.894 0.356 1.00 1.22 H new ATOM 0 HA ASN A 61 -7.362 0.864 -0.180 1.00 61.24 H new ATOM 0 HB2 ASN A 61 -7.531 -0.800 -1.977 1.00 5.25 H new ATOM 0 HB3 ASN A 61 -9.161 -1.224 -1.496 1.00 5.25 H new ATOM 0 HD21 ASN A 61 -8.460 2.107 -3.803 1.00 35.01 H new ATOM 0 HD22 ASN A 61 -7.135 1.200 -3.067 1.00 35.01 H new ATOM 931 N GLU A 62 -9.308 2.187 0.628 1.00 21.32 N ATOM 932 CA GLU A 62 -10.426 2.983 1.173 1.00 24.10 C ATOM 933 C GLU A 62 -11.558 3.215 0.156 1.00 71.55 C ATOM 934 O GLU A 62 -12.681 3.542 0.546 1.00 45.11 O ATOM 935 CB GLU A 62 -9.925 4.340 1.694 1.00 23.34 C ATOM 936 CG GLU A 62 -9.325 4.282 3.094 1.00 20.05 C ATOM 937 CD GLU A 62 -10.331 3.848 4.153 1.00 4.52 C ATOM 938 OE1 GLU A 62 -11.318 4.584 4.379 1.00 13.24 O ATOM 939 OE2 GLU A 62 -10.142 2.776 4.763 1.00 11.00 O ATOM 0 H GLU A 62 -8.460 2.724 0.444 1.00 21.32 H new ATOM 0 HA GLU A 62 -10.839 2.396 1.993 1.00 24.10 H new ATOM 0 HB2 GLU A 62 -9.176 4.729 1.004 1.00 23.34 H new ATOM 0 HB3 GLU A 62 -10.755 5.047 1.694 1.00 23.34 H new ATOM 0 HG2 GLU A 62 -8.483 3.590 3.095 1.00 20.05 H new ATOM 0 HG3 GLU A 62 -8.930 5.264 3.356 1.00 20.05 H new ATOM 946 N ARG A 63 -11.269 3.061 -1.133 1.00 4.23 N ATOM 947 CA ARG A 63 -12.272 3.298 -2.182 1.00 44.43 C ATOM 948 C ARG A 63 -13.415 2.269 -2.107 1.00 1.25 C ATOM 949 O ARG A 63 -14.580 2.628 -1.930 1.00 12.25 O ATOM 950 CB ARG A 63 -11.606 3.243 -3.567 1.00 75.43 C ATOM 951 CG ARG A 63 -12.448 3.804 -4.714 1.00 11.42 C ATOM 952 CD ARG A 63 -12.434 5.332 -4.753 1.00 71.34 C ATOM 953 NE ARG A 63 -13.233 5.943 -3.687 1.00 60.30 N ATOM 954 CZ ARG A 63 -12.800 6.890 -2.899 1.00 54.25 C ATOM 955 NH1 ARG A 63 -11.551 7.224 -2.887 1.00 64.21 N ATOM 956 NH2 ARG A 63 -13.617 7.474 -2.080 1.00 62.52 N ATOM 0 H ARG A 63 -10.354 2.775 -1.481 1.00 4.23 H new ATOM 0 HA ARG A 63 -12.699 4.288 -2.023 1.00 44.43 H new ATOM 0 HB2 ARG A 63 -10.666 3.794 -3.523 1.00 75.43 H new ATOM 0 HB3 ARG A 63 -11.357 2.206 -3.793 1.00 75.43 H new ATOM 0 HG2 ARG A 63 -12.073 3.416 -5.661 1.00 11.42 H new ATOM 0 HG3 ARG A 63 -13.476 3.455 -4.611 1.00 11.42 H new ATOM 0 HD2 ARG A 63 -11.405 5.682 -4.673 1.00 71.34 H new ATOM 0 HD3 ARG A 63 -12.811 5.668 -5.719 1.00 71.34 H new ATOM 0 HE ARG A 63 -14.187 5.608 -3.552 1.00 60.30 H new ATOM 0 HH11 ARG A 63 -10.889 6.746 -3.498 1.00 64.21 H new ATOM 0 HH12 ARG A 63 -11.227 7.966 -2.266 1.00 64.21 H new ATOM 0 HH21 ARG A 63 -14.597 7.194 -2.051 1.00 62.52 H new ATOM 0 HH22 ARG A 63 -13.280 8.214 -1.464 1.00 62.52 H new ATOM 970 N THR A 64 -13.070 0.988 -2.247 1.00 32.02 N ATOM 971 CA THR A 64 -14.066 -0.100 -2.241 1.00 71.25 C ATOM 972 C THR A 64 -13.791 -1.156 -1.154 1.00 63.12 C ATOM 973 O THR A 64 -14.477 -2.179 -1.091 1.00 31.12 O ATOM 974 CB THR A 64 -14.109 -0.815 -3.611 1.00 41.33 C ATOM 975 OG1 THR A 64 -12.808 -1.330 -3.926 1.00 2.13 O ATOM 976 CG2 THR A 64 -14.569 0.132 -4.717 1.00 42.14 C ATOM 0 H THR A 64 -12.108 0.672 -2.367 1.00 32.02 H new ATOM 0 HA THR A 64 -15.023 0.376 -2.027 1.00 71.25 H new ATOM 0 HB THR A 64 -14.826 -1.634 -3.546 1.00 41.33 H new ATOM 0 HG1 THR A 64 -12.837 -1.784 -4.794 1.00 2.13 H new ATOM 0 HG21 THR A 64 -14.589 -0.401 -5.668 1.00 42.14 H new ATOM 0 HG22 THR A 64 -15.569 0.501 -4.487 1.00 42.14 H new ATOM 0 HG23 THR A 64 -13.879 0.973 -4.787 1.00 42.14 H new ATOM 984 N ARG A 65 -12.799 -0.903 -0.294 1.00 51.03 N ATOM 985 CA ARG A 65 -12.428 -1.829 0.796 1.00 34.04 C ATOM 986 C ARG A 65 -11.826 -3.149 0.274 1.00 2.22 C ATOM 987 O ARG A 65 -11.978 -4.202 0.897 1.00 24.40 O ATOM 988 CB ARG A 65 -13.627 -2.114 1.729 1.00 33.55 C ATOM 989 CG ARG A 65 -13.867 -1.035 2.786 1.00 13.54 C ATOM 990 CD ARG A 65 -14.256 0.309 2.179 1.00 12.43 C ATOM 991 NE ARG A 65 -15.511 0.233 1.433 1.00 73.31 N ATOM 992 CZ ARG A 65 -16.358 1.220 1.323 1.00 52.40 C ATOM 993 NH1 ARG A 65 -16.133 2.356 1.903 1.00 25.52 N ATOM 994 NH2 ARG A 65 -17.443 1.064 0.637 1.00 21.12 N ATOM 0 H ARG A 65 -12.230 -0.057 -0.328 1.00 51.03 H new ATOM 0 HA ARG A 65 -11.652 -1.325 1.372 1.00 34.04 H new ATOM 0 HB2 ARG A 65 -14.527 -2.221 1.124 1.00 33.55 H new ATOM 0 HB3 ARG A 65 -13.465 -3.068 2.230 1.00 33.55 H new ATOM 0 HG2 ARG A 65 -14.655 -1.365 3.463 1.00 13.54 H new ATOM 0 HG3 ARG A 65 -12.964 -0.911 3.384 1.00 13.54 H new ATOM 0 HD2 ARG A 65 -14.351 1.051 2.972 1.00 12.43 H new ATOM 0 HD3 ARG A 65 -13.461 0.651 1.516 1.00 12.43 H new ATOM 0 HE ARG A 65 -15.739 -0.646 0.969 1.00 73.31 H new ATOM 0 HH11 ARG A 65 -15.285 2.488 2.454 1.00 25.52 H new ATOM 0 HH12 ARG A 65 -16.804 3.119 1.808 1.00 25.52 H new ATOM 0 HH21 ARG A 65 -17.636 0.171 0.183 1.00 21.12 H new ATOM 0 HH22 ARG A 65 -18.106 1.834 0.550 1.00 21.12 H new ATOM 1008 N GLN A 66 -11.118 -3.083 -0.852 1.00 64.13 N ATOM 1009 CA GLN A 66 -10.407 -4.255 -1.384 1.00 12.44 C ATOM 1010 C GLN A 66 -9.081 -4.490 -0.639 1.00 52.10 C ATOM 1011 O GLN A 66 -8.290 -3.564 -0.454 1.00 14.40 O ATOM 1012 CB GLN A 66 -10.116 -4.078 -2.882 1.00 13.03 C ATOM 1013 CG GLN A 66 -11.357 -3.984 -3.759 1.00 2.12 C ATOM 1014 CD GLN A 66 -12.212 -5.241 -3.732 1.00 0.03 C ATOM 1015 OE1 GLN A 66 -11.718 -6.347 -3.533 1.00 1.15 O ATOM 1016 NE2 GLN A 66 -13.502 -5.085 -3.944 1.00 33.41 N ATOM 0 H GLN A 66 -11.019 -2.238 -1.414 1.00 64.13 H new ATOM 0 HA GLN A 66 -11.053 -5.120 -1.237 1.00 12.44 H new ATOM 0 HB2 GLN A 66 -9.520 -3.176 -3.019 1.00 13.03 H new ATOM 0 HB3 GLN A 66 -9.508 -4.916 -3.223 1.00 13.03 H new ATOM 0 HG2 GLN A 66 -11.960 -3.136 -3.433 1.00 2.12 H new ATOM 0 HG3 GLN A 66 -11.053 -3.782 -4.786 1.00 2.12 H new ATOM 0 HE21 GLN A 66 -13.883 -4.153 -4.106 1.00 33.41 H new ATOM 0 HE22 GLN A 66 -14.120 -5.896 -3.946 1.00 33.41 H new ATOM 1025 N ARG A 67 -8.850 -5.725 -0.201 1.00 2.25 N ATOM 1026 CA ARG A 67 -7.568 -6.108 0.401 1.00 13.10 C ATOM 1027 C ARG A 67 -6.672 -6.809 -0.630 1.00 44.22 C ATOM 1028 O ARG A 67 -7.054 -7.833 -1.199 1.00 40.13 O ATOM 1029 CB ARG A 67 -7.792 -7.037 1.605 1.00 64.24 C ATOM 1030 CG ARG A 67 -8.534 -6.384 2.768 1.00 3.50 C ATOM 1031 CD ARG A 67 -8.720 -7.352 3.934 1.00 60.31 C ATOM 1032 NE ARG A 67 -7.442 -7.889 4.415 1.00 74.50 N ATOM 1033 CZ ARG A 67 -6.971 -7.705 5.620 1.00 64.34 C ATOM 1034 NH1 ARG A 67 -7.654 -7.046 6.504 1.00 10.25 N ATOM 1035 NH2 ARG A 67 -5.818 -8.200 5.946 1.00 23.34 N ATOM 0 H ARG A 67 -9.533 -6.481 -0.250 1.00 2.25 H new ATOM 0 HA ARG A 67 -7.072 -5.198 0.740 1.00 13.10 H new ATOM 0 HB2 ARG A 67 -8.353 -7.912 1.276 1.00 64.24 H new ATOM 0 HB3 ARG A 67 -6.825 -7.394 1.960 1.00 64.24 H new ATOM 0 HG2 ARG A 67 -7.981 -5.508 3.107 1.00 3.50 H new ATOM 0 HG3 ARG A 67 -9.508 -6.033 2.427 1.00 3.50 H new ATOM 0 HD2 ARG A 67 -9.228 -6.841 4.751 1.00 60.31 H new ATOM 0 HD3 ARG A 67 -9.364 -8.174 3.623 1.00 60.31 H new ATOM 0 HE ARG A 67 -6.884 -8.443 3.765 1.00 74.50 H new ATOM 0 HH11 ARG A 67 -8.569 -6.665 6.262 1.00 10.25 H new ATOM 0 HH12 ARG A 67 -7.276 -6.909 7.442 1.00 10.25 H new ATOM 0 HH21 ARG A 67 -5.280 -8.732 5.262 1.00 23.34 H new ATOM 0 HH22 ARG A 67 -5.449 -8.057 6.886 1.00 23.34 H new ATOM 1049 N GLY A 68 -5.487 -6.260 -0.871 1.00 44.43 N ATOM 1050 CA GLY A 68 -4.576 -6.860 -1.839 1.00 2.41 C ATOM 1051 C GLY A 68 -3.219 -6.172 -1.903 1.00 52.12 C ATOM 1052 O GLY A 68 -2.964 -5.220 -1.163 1.00 3.55 O ATOM 0 H GLY A 68 -5.138 -5.415 -0.418 1.00 44.43 H new ATOM 0 HA2 GLY A 68 -4.430 -7.910 -1.587 1.00 2.41 H new ATOM 0 HA3 GLY A 68 -5.037 -6.830 -2.826 1.00 2.41 H new ATOM 1056 N ASP A 69 -2.359 -6.646 -2.800 1.00 60.44 N ATOM 1057 CA ASP A 69 -1.006 -6.101 -2.949 1.00 73.10 C ATOM 1058 C ASP A 69 -0.987 -4.925 -3.935 1.00 3.11 C ATOM 1059 O ASP A 69 -1.342 -5.075 -5.106 1.00 51.44 O ATOM 1060 CB ASP A 69 -0.045 -7.194 -3.434 1.00 23.30 C ATOM 1061 CG ASP A 69 0.024 -8.373 -2.481 1.00 35.15 C ATOM 1062 OD1 ASP A 69 0.735 -8.278 -1.464 1.00 72.33 O ATOM 1063 OD2 ASP A 69 -0.620 -9.409 -2.752 1.00 2.44 O ATOM 0 H ASP A 69 -2.574 -7.411 -3.440 1.00 60.44 H new ATOM 0 HA ASP A 69 -0.683 -5.739 -1.973 1.00 73.10 H new ATOM 0 HB2 ASP A 69 -0.363 -7.543 -4.416 1.00 23.30 H new ATOM 0 HB3 ASP A 69 0.952 -6.770 -3.554 1.00 23.30 H new ATOM 1068 N PHE A 70 -0.572 -3.755 -3.454 1.00 72.21 N ATOM 1069 CA PHE A 70 -0.487 -2.555 -4.299 1.00 34.04 C ATOM 1070 C PHE A 70 0.971 -2.093 -4.458 1.00 50.31 C ATOM 1071 O PHE A 70 1.779 -2.225 -3.533 1.00 10.43 O ATOM 1072 CB PHE A 70 -1.343 -1.418 -3.709 1.00 63.13 C ATOM 1073 CG PHE A 70 -0.860 -0.902 -2.375 1.00 13.22 C ATOM 1074 CD1 PHE A 70 -1.212 -1.544 -1.196 1.00 20.14 C ATOM 1075 CD2 PHE A 70 -0.064 0.234 -2.299 1.00 63.24 C ATOM 1076 CE1 PHE A 70 -0.778 -1.069 0.025 1.00 51.10 C ATOM 1077 CE2 PHE A 70 0.375 0.711 -1.078 1.00 4.13 C ATOM 1078 CZ PHE A 70 0.016 0.059 0.083 1.00 34.12 C ATOM 0 H PHE A 70 -0.289 -3.607 -2.485 1.00 72.21 H new ATOM 0 HA PHE A 70 -0.873 -2.812 -5.285 1.00 34.04 H new ATOM 0 HB2 PHE A 70 -1.365 -0.591 -4.418 1.00 63.13 H new ATOM 0 HB3 PHE A 70 -2.368 -1.771 -3.599 1.00 63.13 H new ATOM 0 HD1 PHE A 70 -1.833 -2.426 -1.234 1.00 20.14 H new ATOM 0 HD2 PHE A 70 0.215 0.751 -3.205 1.00 63.24 H new ATOM 0 HE1 PHE A 70 -1.059 -1.579 0.934 1.00 51.10 H new ATOM 0 HE2 PHE A 70 0.998 1.592 -1.033 1.00 4.13 H new ATOM 0 HZ PHE A 70 0.356 0.431 1.038 1.00 34.12 H new ATOM 1088 N PRO A 71 1.326 -1.544 -5.637 1.00 71.25 N ATOM 1089 CA PRO A 71 2.679 -1.029 -5.891 1.00 25.25 C ATOM 1090 C PRO A 71 2.957 0.288 -5.142 1.00 22.35 C ATOM 1091 O PRO A 71 2.418 1.346 -5.484 1.00 52.53 O ATOM 1092 CB PRO A 71 2.694 -0.813 -7.410 1.00 20.31 C ATOM 1093 CG PRO A 71 1.266 -0.560 -7.766 1.00 14.53 C ATOM 1094 CD PRO A 71 0.446 -1.393 -6.815 1.00 24.04 C ATOM 0 HA PRO A 71 3.452 -1.712 -5.541 1.00 25.25 H new ATOM 0 HB2 PRO A 71 3.327 0.031 -7.685 1.00 20.31 H new ATOM 0 HB3 PRO A 71 3.084 -1.687 -7.931 1.00 20.31 H new ATOM 0 HG2 PRO A 71 1.021 0.498 -7.669 1.00 14.53 H new ATOM 0 HG3 PRO A 71 1.067 -0.839 -8.801 1.00 14.53 H new ATOM 0 HD2 PRO A 71 -0.490 -0.900 -6.555 1.00 24.04 H new ATOM 0 HD3 PRO A 71 0.188 -2.359 -7.249 1.00 24.04 H new ATOM 1102 N GLY A 72 3.818 0.223 -4.126 1.00 21.31 N ATOM 1103 CA GLY A 72 4.139 1.401 -3.322 1.00 32.32 C ATOM 1104 C GLY A 72 5.053 2.411 -4.023 1.00 12.55 C ATOM 1105 O GLY A 72 5.874 3.064 -3.382 1.00 14.40 O ATOM 0 H GLY A 72 4.303 -0.628 -3.842 1.00 21.31 H new ATOM 0 HA2 GLY A 72 3.211 1.900 -3.043 1.00 32.32 H new ATOM 0 HA3 GLY A 72 4.617 1.077 -2.397 1.00 32.32 H new ATOM 1109 N THR A 73 4.906 2.543 -5.338 1.00 24.54 N ATOM 1110 CA THR A 73 5.689 3.507 -6.120 1.00 21.04 C ATOM 1111 C THR A 73 4.856 4.745 -6.476 1.00 34.10 C ATOM 1112 O THR A 73 5.398 5.834 -6.668 1.00 1.20 O ATOM 1113 CB THR A 73 6.223 2.874 -7.428 1.00 71.51 C ATOM 1114 OG1 THR A 73 5.133 2.375 -8.218 1.00 62.41 O ATOM 1115 CG2 THR A 73 7.194 1.736 -7.128 1.00 24.13 C ATOM 0 H THR A 73 4.249 1.993 -5.891 1.00 24.54 H new ATOM 0 HA THR A 73 6.530 3.805 -5.494 1.00 21.04 H new ATOM 0 HB THR A 73 6.752 3.648 -7.984 1.00 71.51 H new ATOM 0 HG1 THR A 73 4.764 3.101 -8.763 1.00 62.41 H new ATOM 0 HG21 THR A 73 7.554 1.309 -8.064 1.00 24.13 H new ATOM 0 HG22 THR A 73 8.038 2.120 -6.556 1.00 24.13 H new ATOM 0 HG23 THR A 73 6.684 0.965 -6.550 1.00 24.13 H new ATOM 1123 N TYR A 74 3.536 4.577 -6.556 1.00 1.11 N ATOM 1124 CA TYR A 74 2.625 5.675 -6.918 1.00 11.11 C ATOM 1125 C TYR A 74 1.848 6.199 -5.697 1.00 32.04 C ATOM 1126 O TYR A 74 0.852 6.911 -5.840 1.00 51.31 O ATOM 1127 CB TYR A 74 1.639 5.202 -7.995 1.00 31.31 C ATOM 1128 CG TYR A 74 2.305 4.658 -9.245 1.00 42.00 C ATOM 1129 CD1 TYR A 74 3.011 5.499 -10.101 1.00 21.44 C ATOM 1130 CD2 TYR A 74 2.233 3.306 -9.568 1.00 33.20 C ATOM 1131 CE1 TYR A 74 3.620 5.008 -11.240 1.00 32.31 C ATOM 1132 CE2 TYR A 74 2.841 2.811 -10.705 1.00 44.02 C ATOM 1133 CZ TYR A 74 3.533 3.664 -11.537 1.00 1.51 C ATOM 1134 OH TYR A 74 4.134 3.173 -12.674 1.00 53.44 O ATOM 0 H TYR A 74 3.068 3.689 -6.375 1.00 1.11 H new ATOM 0 HA TYR A 74 3.231 6.494 -7.305 1.00 11.11 H new ATOM 0 HB2 TYR A 74 0.998 4.429 -7.572 1.00 31.31 H new ATOM 0 HB3 TYR A 74 0.993 6.035 -8.273 1.00 31.31 H new ATOM 0 HD1 TYR A 74 3.084 6.552 -9.871 1.00 21.44 H new ATOM 0 HD2 TYR A 74 1.693 2.633 -8.919 1.00 33.20 H new ATOM 0 HE1 TYR A 74 4.162 5.674 -11.895 1.00 32.31 H new ATOM 0 HE2 TYR A 74 2.774 1.759 -10.941 1.00 44.02 H new ATOM 0 HH TYR A 74 3.979 2.207 -12.735 1.00 53.44 H new ATOM 1144 N VAL A 75 2.309 5.850 -4.497 1.00 72.33 N ATOM 1145 CA VAL A 75 1.644 6.270 -3.254 1.00 31.25 C ATOM 1146 C VAL A 75 2.572 7.131 -2.381 1.00 53.24 C ATOM 1147 O VAL A 75 3.793 7.126 -2.557 1.00 63.35 O ATOM 1148 CB VAL A 75 1.167 5.047 -2.427 1.00 42.03 C ATOM 1149 CG1 VAL A 75 0.217 4.169 -3.242 1.00 21.44 C ATOM 1150 CG2 VAL A 75 2.358 4.234 -1.918 1.00 73.24 C ATOM 0 H VAL A 75 3.141 5.277 -4.354 1.00 72.33 H new ATOM 0 HA VAL A 75 0.779 6.864 -3.550 1.00 31.25 H new ATOM 0 HB VAL A 75 0.619 5.422 -1.562 1.00 42.03 H new ATOM 0 HG11 VAL A 75 -0.102 3.319 -2.638 1.00 21.44 H new ATOM 0 HG12 VAL A 75 -0.655 4.752 -3.536 1.00 21.44 H new ATOM 0 HG13 VAL A 75 0.730 3.808 -4.134 1.00 21.44 H new ATOM 0 HG21 VAL A 75 1.997 3.382 -1.341 1.00 73.24 H new ATOM 0 HG22 VAL A 75 2.943 3.877 -2.765 1.00 73.24 H new ATOM 0 HG23 VAL A 75 2.983 4.863 -1.284 1.00 73.24 H new ATOM 1160 N GLU A 76 1.989 7.876 -1.446 1.00 52.40 N ATOM 1161 CA GLU A 76 2.769 8.652 -0.477 1.00 42.32 C ATOM 1162 C GLU A 76 2.646 8.052 0.933 1.00 52.11 C ATOM 1163 O GLU A 76 1.563 7.636 1.357 1.00 2.33 O ATOM 1164 CB GLU A 76 2.321 10.124 -0.460 1.00 33.33 C ATOM 1165 CG GLU A 76 0.892 10.343 0.032 1.00 11.23 C ATOM 1166 CD GLU A 76 0.559 11.814 0.242 1.00 51.51 C ATOM 1167 OE1 GLU A 76 0.936 12.364 1.299 1.00 5.11 O ATOM 1168 OE2 GLU A 76 -0.079 12.426 -0.642 1.00 51.24 O ATOM 0 H GLU A 76 0.979 7.961 -1.336 1.00 52.40 H new ATOM 0 HA GLU A 76 3.813 8.609 -0.786 1.00 42.32 H new ATOM 0 HB2 GLU A 76 3.002 10.691 0.175 1.00 33.33 H new ATOM 0 HB3 GLU A 76 2.412 10.530 -1.467 1.00 33.33 H new ATOM 0 HG2 GLU A 76 0.195 9.917 -0.689 1.00 11.23 H new ATOM 0 HG3 GLU A 76 0.749 9.805 0.969 1.00 11.23 H new ATOM 1175 N PHE A 77 3.759 7.994 1.653 1.00 34.34 N ATOM 1176 CA PHE A 77 3.768 7.490 3.028 1.00 34.32 C ATOM 1177 C PHE A 77 3.230 8.549 4.006 1.00 5.30 C ATOM 1178 O PHE A 77 3.805 9.629 4.147 1.00 23.21 O ATOM 1179 CB PHE A 77 5.192 7.072 3.417 1.00 34.21 C ATOM 1180 CG PHE A 77 5.347 6.612 4.848 1.00 5.10 C ATOM 1181 CD1 PHE A 77 4.598 5.551 5.344 1.00 41.41 C ATOM 1182 CD2 PHE A 77 6.252 7.237 5.695 1.00 32.23 C ATOM 1183 CE1 PHE A 77 4.754 5.126 6.650 1.00 14.53 C ATOM 1184 CE2 PHE A 77 6.412 6.813 7.000 1.00 23.33 C ATOM 1185 CZ PHE A 77 5.662 5.757 7.478 1.00 31.41 C ATOM 0 H PHE A 77 4.673 8.290 1.309 1.00 34.34 H new ATOM 0 HA PHE A 77 3.113 6.620 3.085 1.00 34.32 H new ATOM 0 HB2 PHE A 77 5.514 6.268 2.755 1.00 34.21 H new ATOM 0 HB3 PHE A 77 5.863 7.914 3.246 1.00 34.21 H new ATOM 0 HD1 PHE A 77 3.886 5.053 4.702 1.00 41.41 H new ATOM 0 HD2 PHE A 77 6.839 8.066 5.329 1.00 32.23 H new ATOM 0 HE1 PHE A 77 4.166 4.301 7.023 1.00 14.53 H new ATOM 0 HE2 PHE A 77 7.123 7.307 7.646 1.00 23.33 H new ATOM 0 HZ PHE A 77 5.785 5.425 8.498 1.00 31.41 H new ATOM 1195 N LEU A 78 2.111 8.243 4.658 1.00 60.55 N ATOM 1196 CA LEU A 78 1.532 9.147 5.659 1.00 74.33 C ATOM 1197 C LEU A 78 2.155 8.901 7.040 1.00 64.55 C ATOM 1198 O LEU A 78 2.578 9.833 7.725 1.00 2.13 O ATOM 1199 CB LEU A 78 0.011 8.952 5.733 1.00 55.20 C ATOM 1200 CG LEU A 78 -0.748 9.172 4.412 1.00 32.11 C ATOM 1201 CD1 LEU A 78 -2.246 8.947 4.603 1.00 22.10 C ATOM 1202 CD2 LEU A 78 -0.475 10.568 3.858 1.00 64.31 C ATOM 0 H LEU A 78 1.586 7.380 4.515 1.00 60.55 H new ATOM 0 HA LEU A 78 1.748 10.172 5.357 1.00 74.33 H new ATOM 0 HB2 LEU A 78 -0.192 7.940 6.085 1.00 55.20 H new ATOM 0 HB3 LEU A 78 -0.390 9.636 6.481 1.00 55.20 H new ATOM 0 HG LEU A 78 -0.387 8.443 3.687 1.00 32.11 H new ATOM 0 HD11 LEU A 78 -2.762 9.108 3.656 1.00 22.10 H new ATOM 0 HD12 LEU A 78 -2.420 7.926 4.942 1.00 22.10 H new ATOM 0 HD13 LEU A 78 -2.627 9.646 5.347 1.00 22.10 H new ATOM 0 HD21 LEU A 78 -1.021 10.702 2.924 1.00 64.31 H new ATOM 0 HD22 LEU A 78 -0.802 11.316 4.580 1.00 64.31 H new ATOM 0 HD23 LEU A 78 0.593 10.684 3.673 1.00 64.31 H new ATOM 1214 N GLY A 79 2.215 7.632 7.431 1.00 5.24 N ATOM 1215 CA GLY A 79 2.760 7.261 8.731 1.00 44.11 C ATOM 1216 C GLY A 79 1.851 6.305 9.493 1.00 3.11 C ATOM 1217 O GLY A 79 0.943 5.709 8.906 1.00 50.05 O ATOM 0 H GLY A 79 1.894 6.845 6.867 1.00 5.24 H new ATOM 0 HA2 GLY A 79 3.736 6.797 8.593 1.00 44.11 H new ATOM 0 HA3 GLY A 79 2.916 8.161 9.326 1.00 44.11 H new ATOM 1221 N PRO A 80 2.079 6.125 10.807 1.00 1.32 N ATOM 1222 CA PRO A 80 1.197 5.306 11.654 1.00 40.40 C ATOM 1223 C PRO A 80 -0.206 5.920 11.786 1.00 65.21 C ATOM 1224 O PRO A 80 -0.427 7.085 11.438 1.00 44.33 O ATOM 1225 CB PRO A 80 1.923 5.272 13.008 1.00 14.13 C ATOM 1226 CG PRO A 80 2.802 6.480 13.001 1.00 65.20 C ATOM 1227 CD PRO A 80 3.204 6.698 11.567 1.00 60.23 C ATOM 0 HA PRO A 80 1.028 4.313 11.238 1.00 40.40 H new ATOM 0 HB2 PRO A 80 1.216 5.302 13.837 1.00 14.13 H new ATOM 0 HB3 PRO A 80 2.507 4.359 13.121 1.00 14.13 H new ATOM 0 HG2 PRO A 80 2.273 7.349 13.393 1.00 65.20 H new ATOM 0 HG3 PRO A 80 3.678 6.328 13.632 1.00 65.20 H new ATOM 0 HD2 PRO A 80 3.342 7.756 11.345 1.00 60.23 H new ATOM 0 HD3 PRO A 80 4.144 6.198 11.332 1.00 60.23 H new ATOM 1235 N LEU A 81 -1.152 5.137 12.287 1.00 3.25 N ATOM 1236 CA LEU A 81 -2.546 5.576 12.363 1.00 65.12 C ATOM 1237 C LEU A 81 -2.812 6.404 13.625 1.00 33.31 C ATOM 1238 O LEU A 81 -2.059 6.340 14.599 1.00 33.04 O ATOM 1239 CB LEU A 81 -3.499 4.370 12.308 1.00 11.33 C ATOM 1240 CG LEU A 81 -3.527 3.612 10.965 1.00 23.03 C ATOM 1241 CD1 LEU A 81 -2.212 2.881 10.702 1.00 14.31 C ATOM 1242 CD2 LEU A 81 -4.702 2.641 10.914 1.00 63.01 C ATOM 0 H LEU A 81 -0.984 4.197 12.647 1.00 3.25 H new ATOM 0 HA LEU A 81 -2.733 6.214 11.499 1.00 65.12 H new ATOM 0 HB2 LEU A 81 -3.219 3.670 13.095 1.00 11.33 H new ATOM 0 HB3 LEU A 81 -4.508 4.715 12.533 1.00 11.33 H new ATOM 0 HG LEU A 81 -3.656 4.352 10.176 1.00 23.03 H new ATOM 0 HD11 LEU A 81 -2.271 2.359 9.747 1.00 14.31 H new ATOM 0 HD12 LEU A 81 -1.395 3.602 10.672 1.00 14.31 H new ATOM 0 HD13 LEU A 81 -2.031 2.160 11.499 1.00 14.31 H new ATOM 0 HD21 LEU A 81 -4.701 2.118 9.958 1.00 63.01 H new ATOM 0 HD22 LEU A 81 -4.611 1.917 11.724 1.00 63.01 H new ATOM 0 HD23 LEU A 81 -5.635 3.193 11.024 1.00 63.01 H new ATOM 1254 N GLU A 82 -3.879 7.194 13.584 1.00 2.41 N ATOM 1255 CA GLU A 82 -4.289 8.015 14.730 1.00 73.03 C ATOM 1256 C GLU A 82 -5.245 7.240 15.667 1.00 61.44 C ATOM 1257 O GLU A 82 -6.440 7.611 15.786 1.00 36.02 O ATOM 1258 CB GLU A 82 -4.932 9.318 14.219 1.00 73.32 C ATOM 1259 CG GLU A 82 -6.012 9.105 13.158 1.00 32.35 C ATOM 1260 CD GLU A 82 -6.596 10.410 12.644 1.00 42.42 C ATOM 1261 OE1 GLU A 82 -7.579 10.902 13.235 1.00 63.22 O ATOM 1262 OE2 GLU A 82 -6.082 10.942 11.636 1.00 70.45 O ATOM 0 H GLU A 82 -4.482 7.287 12.767 1.00 2.41 H new ATOM 0 HA GLU A 82 -3.407 8.265 15.320 1.00 73.03 H new ATOM 0 HB2 GLU A 82 -5.368 9.852 15.064 1.00 73.32 H new ATOM 0 HB3 GLU A 82 -4.152 9.958 13.806 1.00 73.32 H new ATOM 0 HG2 GLU A 82 -5.589 8.547 12.322 1.00 32.35 H new ATOM 0 HG3 GLU A 82 -6.812 8.494 13.577 1.00 32.35 H new TER 1269 GLU A 82