USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=11 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 159:sc= -0.139 (180deg=-0.705) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0384 (180deg=-0.183) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 9 TYR OH : rot -149:sc= 0.27 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 53 SER OG : rot -23:sc= 0.637 USER MOD Single : A 57 MET CE :methyl -174:sc= -0.461 (180deg=-0.685) USER MOD Single : A 61 ASN : amide:sc= 0.139 K(o=0.14,f=-12!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0566 X(o=-0.057,f=-0.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -123:sc= 0.0199 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.985 -4.215 22.337 1.00 10.43 N ATOM 2 CA MET A 1 -6.394 -3.458 21.198 1.00 1.10 C ATOM 3 C MET A 1 -5.382 -2.412 21.695 1.00 33.42 C ATOM 4 O MET A 1 -5.701 -1.593 22.558 1.00 61.35 O ATOM 5 CB MET A 1 -7.505 -2.782 20.376 1.00 21.14 C ATOM 6 CG MET A 1 -8.391 -1.836 21.183 1.00 43.13 C ATOM 7 SD MET A 1 -9.715 -1.104 20.202 1.00 11.10 S ATOM 8 CE MET A 1 -10.651 -2.566 19.745 1.00 62.23 C ATOM 0 H1 MET A 1 -7.781 -4.791 21.995 1.00 10.43 H new ATOM 0 H2 MET A 1 -6.262 -4.836 22.754 1.00 10.43 H new ATOM 0 H3 MET A 1 -7.325 -3.547 23.058 1.00 10.43 H new ATOM 0 HA MET A 1 -5.862 -4.163 20.559 1.00 1.10 H new ATOM 0 HB2 MET A 1 -7.049 -2.225 19.557 1.00 21.14 H new ATOM 0 HB3 MET A 1 -8.130 -3.554 19.927 1.00 21.14 H new ATOM 0 HG2 MET A 1 -8.826 -2.380 22.021 1.00 43.13 H new ATOM 0 HG3 MET A 1 -7.776 -1.041 21.604 1.00 43.13 H new ATOM 0 HE1 MET A 1 -11.666 -2.278 19.472 1.00 62.23 H new ATOM 0 HE2 MET A 1 -10.172 -3.054 18.896 1.00 62.23 H new ATOM 0 HE3 MET A 1 -10.684 -3.255 20.589 1.00 62.23 H new ATOM 20 N ALA A 2 -4.161 -2.452 21.159 1.00 31.15 N ATOM 21 CA ALA A 2 -3.101 -1.523 21.579 1.00 75.45 C ATOM 22 C ALA A 2 -1.928 -1.489 20.585 1.00 13.42 C ATOM 23 O ALA A 2 -1.662 -2.468 19.883 1.00 71.12 O ATOM 24 CB ALA A 2 -2.595 -1.901 22.966 1.00 53.11 C ATOM 0 H ALA A 2 -3.879 -3.114 20.436 1.00 31.15 H new ATOM 0 HA ALA A 2 -3.537 -0.524 21.604 1.00 75.45 H new ATOM 0 HB1 ALA A 2 -1.810 -1.208 23.269 1.00 53.11 H new ATOM 0 HB2 ALA A 2 -3.418 -1.852 23.679 1.00 53.11 H new ATOM 0 HB3 ALA A 2 -2.195 -2.915 22.943 1.00 53.11 H new ATOM 30 N GLY A 3 -1.230 -0.356 20.538 1.00 14.13 N ATOM 31 CA GLY A 3 -0.076 -0.209 19.654 1.00 54.43 C ATOM 32 C GLY A 3 -0.459 0.061 18.198 1.00 32.03 C ATOM 33 O GLY A 3 -1.610 0.396 17.904 1.00 31.35 O ATOM 0 H GLY A 3 -1.442 0.469 21.098 1.00 14.13 H new ATOM 0 HA2 GLY A 3 0.548 0.608 20.016 1.00 54.43 H new ATOM 0 HA3 GLY A 3 0.527 -1.116 19.702 1.00 54.43 H new ATOM 37 N PRO A 4 0.490 -0.081 17.256 1.00 54.51 N ATOM 38 CA PRO A 4 0.222 0.156 15.830 1.00 21.15 C ATOM 39 C PRO A 4 -0.637 -0.952 15.193 1.00 51.12 C ATOM 40 O PRO A 4 -0.138 -2.023 14.848 1.00 32.33 O ATOM 41 CB PRO A 4 1.627 0.192 15.212 1.00 24.43 C ATOM 42 CG PRO A 4 2.456 -0.661 16.114 1.00 11.35 C ATOM 43 CD PRO A 4 1.893 -0.474 17.500 1.00 73.31 C ATOM 0 HA PRO A 4 -0.352 1.068 15.666 1.00 21.15 H new ATOM 0 HB2 PRO A 4 1.622 -0.196 14.193 1.00 24.43 H new ATOM 0 HB3 PRO A 4 2.013 1.210 15.164 1.00 24.43 H new ATOM 0 HG2 PRO A 4 2.409 -1.707 15.812 1.00 11.35 H new ATOM 0 HG3 PRO A 4 3.504 -0.365 16.076 1.00 11.35 H new ATOM 0 HD2 PRO A 4 1.956 -1.391 18.085 1.00 73.31 H new ATOM 0 HD3 PRO A 4 2.434 0.294 18.052 1.00 73.31 H new ATOM 51 N GLU A 5 -1.937 -0.698 15.068 1.00 72.40 N ATOM 52 CA GLU A 5 -2.856 -1.643 14.422 1.00 22.30 C ATOM 53 C GLU A 5 -2.536 -1.741 12.921 1.00 60.13 C ATOM 54 O GLU A 5 -2.439 -2.832 12.355 1.00 4.24 O ATOM 55 CB GLU A 5 -4.310 -1.181 14.649 1.00 1.11 C ATOM 56 CG GLU A 5 -5.377 -2.273 14.508 1.00 73.33 C ATOM 57 CD GLU A 5 -5.568 -2.775 13.084 1.00 1.55 C ATOM 58 OE1 GLU A 5 -6.171 -2.049 12.267 1.00 41.52 O ATOM 59 OE2 GLU A 5 -5.128 -3.906 12.778 1.00 71.52 O ATOM 0 H GLU A 5 -2.383 0.155 15.405 1.00 72.40 H new ATOM 0 HA GLU A 5 -2.734 -2.634 14.860 1.00 22.30 H new ATOM 0 HB2 GLU A 5 -4.385 -0.751 15.648 1.00 1.11 H new ATOM 0 HB3 GLU A 5 -4.535 -0.384 13.941 1.00 1.11 H new ATOM 0 HG2 GLU A 5 -5.106 -3.115 15.145 1.00 73.33 H new ATOM 0 HG3 GLU A 5 -6.327 -1.887 14.876 1.00 73.33 H new ATOM 66 N GLY A 6 -2.341 -0.584 12.295 1.00 23.24 N ATOM 67 CA GLY A 6 -2.011 -0.533 10.879 1.00 13.30 C ATOM 68 C GLY A 6 -1.282 0.749 10.486 1.00 22.52 C ATOM 69 O GLY A 6 -1.059 1.630 11.320 1.00 34.25 O ATOM 0 H GLY A 6 -2.406 0.328 12.747 1.00 23.24 H new ATOM 0 HA2 GLY A 6 -1.389 -1.391 10.625 1.00 13.30 H new ATOM 0 HA3 GLY A 6 -2.927 -0.618 10.294 1.00 13.30 H new ATOM 73 N PHE A 7 -0.904 0.855 9.218 1.00 62.22 N ATOM 74 CA PHE A 7 -0.207 2.039 8.706 1.00 75.44 C ATOM 75 C PHE A 7 -0.925 2.597 7.472 1.00 44.45 C ATOM 76 O PHE A 7 -1.362 1.840 6.606 1.00 62.32 O ATOM 77 CB PHE A 7 1.246 1.691 8.356 1.00 51.50 C ATOM 78 CG PHE A 7 2.043 1.176 9.530 1.00 40.43 C ATOM 79 CD1 PHE A 7 2.663 2.057 10.405 1.00 62.22 C ATOM 80 CD2 PHE A 7 2.163 -0.189 9.765 1.00 61.31 C ATOM 81 CE1 PHE A 7 3.386 1.589 11.485 1.00 61.25 C ATOM 82 CE2 PHE A 7 2.886 -0.659 10.843 1.00 61.43 C ATOM 83 CZ PHE A 7 3.496 0.230 11.704 1.00 10.01 C ATOM 0 H PHE A 7 -1.068 0.132 8.517 1.00 62.22 H new ATOM 0 HA PHE A 7 -0.211 2.802 9.484 1.00 75.44 H new ATOM 0 HB2 PHE A 7 1.251 0.940 7.566 1.00 51.50 H new ATOM 0 HB3 PHE A 7 1.737 2.578 7.955 1.00 51.50 H new ATOM 0 HD1 PHE A 7 2.579 3.121 10.240 1.00 62.22 H new ATOM 0 HD2 PHE A 7 1.685 -0.890 9.096 1.00 61.31 H new ATOM 0 HE1 PHE A 7 3.865 2.285 12.158 1.00 61.25 H new ATOM 0 HE2 PHE A 7 2.974 -1.722 11.012 1.00 61.43 H new ATOM 0 HZ PHE A 7 4.059 -0.137 12.549 1.00 10.01 H new ATOM 93 N GLN A 8 -1.046 3.919 7.391 1.00 52.03 N ATOM 94 CA GLN A 8 -1.762 4.561 6.281 1.00 54.25 C ATOM 95 C GLN A 8 -0.833 4.943 5.118 1.00 22.12 C ATOM 96 O GLN A 8 0.220 5.556 5.312 1.00 45.40 O ATOM 97 CB GLN A 8 -2.495 5.816 6.772 1.00 41.35 C ATOM 98 CG GLN A 8 -3.679 5.531 7.686 1.00 13.23 C ATOM 99 CD GLN A 8 -4.359 6.801 8.174 1.00 61.03 C ATOM 100 OE1 GLN A 8 -3.725 7.840 8.329 1.00 72.41 O ATOM 101 NE2 GLN A 8 -5.654 6.739 8.406 1.00 45.53 N ATOM 0 H GLN A 8 -0.661 4.569 8.076 1.00 52.03 H new ATOM 0 HA GLN A 8 -2.478 3.828 5.909 1.00 54.25 H new ATOM 0 HB2 GLN A 8 -1.787 6.453 7.302 1.00 41.35 H new ATOM 0 HB3 GLN A 8 -2.845 6.380 5.907 1.00 41.35 H new ATOM 0 HG2 GLN A 8 -4.405 4.916 7.154 1.00 13.23 H new ATOM 0 HG3 GLN A 8 -3.339 4.952 8.545 1.00 13.23 H new ATOM 0 HE21 GLN A 8 -6.155 5.861 8.268 1.00 45.53 H new ATOM 0 HE22 GLN A 8 -6.156 7.569 8.723 1.00 45.53 H new ATOM 110 N TYR A 9 -1.246 4.566 3.910 1.00 32.55 N ATOM 111 CA TYR A 9 -0.611 5.016 2.666 1.00 41.34 C ATOM 112 C TYR A 9 -1.636 5.769 1.802 1.00 70.14 C ATOM 113 O TYR A 9 -2.840 5.665 2.032 1.00 44.13 O ATOM 114 CB TYR A 9 -0.038 3.826 1.880 1.00 63.01 C ATOM 115 CG TYR A 9 1.219 3.227 2.487 1.00 30.05 C ATOM 116 CD1 TYR A 9 1.154 2.321 3.543 1.00 3.14 C ATOM 117 CD2 TYR A 9 2.476 3.571 1.997 1.00 30.55 C ATOM 118 CE1 TYR A 9 2.303 1.776 4.087 1.00 11.32 C ATOM 119 CE2 TYR A 9 3.627 3.030 2.535 1.00 50.33 C ATOM 120 CZ TYR A 9 3.537 2.136 3.582 1.00 52.05 C ATOM 121 OH TYR A 9 4.682 1.594 4.118 1.00 23.43 O ATOM 0 H TYR A 9 -2.035 3.936 3.762 1.00 32.55 H new ATOM 0 HA TYR A 9 0.211 5.685 2.921 1.00 41.34 H new ATOM 0 HB2 TYR A 9 -0.800 3.050 1.811 1.00 63.01 H new ATOM 0 HB3 TYR A 9 0.182 4.149 0.862 1.00 63.01 H new ATOM 0 HD1 TYR A 9 0.191 2.040 3.943 1.00 3.14 H new ATOM 0 HD2 TYR A 9 2.552 4.274 1.181 1.00 30.55 H new ATOM 0 HE1 TYR A 9 2.235 1.072 4.903 1.00 11.32 H new ATOM 0 HE2 TYR A 9 4.593 3.305 2.138 1.00 50.33 H new ATOM 0 HH TYR A 9 5.417 2.238 4.039 1.00 23.43 H new ATOM 131 N ARG A 10 -1.164 6.529 0.820 1.00 13.21 N ATOM 132 CA ARG A 10 -2.062 7.277 -0.075 1.00 51.32 C ATOM 133 C ARG A 10 -1.571 7.259 -1.526 1.00 31.40 C ATOM 134 O ARG A 10 -0.434 7.638 -1.810 1.00 0.23 O ATOM 135 CB ARG A 10 -2.206 8.729 0.404 1.00 61.21 C ATOM 136 CG ARG A 10 -3.013 9.613 -0.545 1.00 52.20 C ATOM 137 CD ARG A 10 -3.207 11.015 0.015 1.00 11.41 C ATOM 138 NE ARG A 10 -4.050 11.023 1.209 1.00 14.11 N ATOM 139 CZ ARG A 10 -3.893 11.845 2.213 1.00 75.11 C ATOM 140 NH1 ARG A 10 -2.919 12.701 2.214 1.00 2.14 N ATOM 141 NH2 ARG A 10 -4.717 11.818 3.211 1.00 65.41 N ATOM 0 H ARG A 10 -0.171 6.648 0.618 1.00 13.21 H new ATOM 0 HA ARG A 10 -3.033 6.783 -0.043 1.00 51.32 H new ATOM 0 HB2 ARG A 10 -2.683 8.733 1.384 1.00 61.21 H new ATOM 0 HB3 ARG A 10 -1.213 9.160 0.531 1.00 61.21 H new ATOM 0 HG2 ARG A 10 -2.504 9.673 -1.507 1.00 52.20 H new ATOM 0 HG3 ARG A 10 -3.986 9.157 -0.727 1.00 52.20 H new ATOM 0 HD2 ARG A 10 -2.235 11.445 0.256 1.00 11.41 H new ATOM 0 HD3 ARG A 10 -3.656 11.650 -0.749 1.00 11.41 H new ATOM 0 HE ARG A 10 -4.809 10.344 1.262 1.00 14.11 H new ATOM 0 HH11 ARG A 10 -2.270 12.736 1.428 1.00 2.14 H new ATOM 0 HH12 ARG A 10 -2.802 13.340 3.001 1.00 2.14 H new ATOM 0 HH21 ARG A 10 -5.491 11.154 3.215 1.00 65.41 H new ATOM 0 HH22 ARG A 10 -4.592 12.461 3.993 1.00 65.41 H new ATOM 155 N ALA A 11 -2.437 6.828 -2.440 1.00 40.34 N ATOM 156 CA ALA A 11 -2.119 6.819 -3.868 1.00 52.22 C ATOM 157 C ALA A 11 -2.231 8.227 -4.470 1.00 73.41 C ATOM 158 O ALA A 11 -3.244 8.911 -4.313 1.00 13.51 O ATOM 159 CB ALA A 11 -3.032 5.846 -4.606 1.00 50.55 C ATOM 0 H ALA A 11 -3.369 6.479 -2.217 1.00 40.34 H new ATOM 0 HA ALA A 11 -1.087 6.488 -3.984 1.00 52.22 H new ATOM 0 HB1 ALA A 11 -2.785 5.849 -5.668 1.00 50.55 H new ATOM 0 HB2 ALA A 11 -2.894 4.842 -4.204 1.00 50.55 H new ATOM 0 HB3 ALA A 11 -4.070 6.150 -4.474 1.00 50.55 H new ATOM 165 N LEU A 12 -1.177 8.664 -5.149 1.00 31.24 N ATOM 166 CA LEU A 12 -1.161 9.983 -5.786 1.00 34.13 C ATOM 167 C LEU A 12 -1.899 9.967 -7.134 1.00 22.35 C ATOM 168 O LEU A 12 -2.606 10.913 -7.481 1.00 41.21 O ATOM 169 CB LEU A 12 0.289 10.448 -5.974 1.00 63.43 C ATOM 170 CG LEU A 12 1.092 10.598 -4.669 1.00 22.44 C ATOM 171 CD1 LEU A 12 2.535 11.005 -4.958 1.00 40.05 C ATOM 172 CD2 LEU A 12 0.418 11.609 -3.742 1.00 61.35 C ATOM 0 H LEU A 12 -0.319 8.126 -5.275 1.00 31.24 H new ATOM 0 HA LEU A 12 -1.684 10.683 -5.135 1.00 34.13 H new ATOM 0 HB2 LEU A 12 0.803 9.737 -6.621 1.00 63.43 H new ATOM 0 HB3 LEU A 12 0.284 11.406 -6.494 1.00 63.43 H new ATOM 0 HG LEU A 12 1.112 9.630 -4.168 1.00 22.44 H new ATOM 0 HD11 LEU A 12 3.080 11.104 -4.019 1.00 40.05 H new ATOM 0 HD12 LEU A 12 3.011 10.243 -5.575 1.00 40.05 H new ATOM 0 HD13 LEU A 12 2.545 11.959 -5.486 1.00 40.05 H new ATOM 0 HD21 LEU A 12 0.998 11.704 -2.824 1.00 61.35 H new ATOM 0 HD22 LEU A 12 0.364 12.578 -4.238 1.00 61.35 H new ATOM 0 HD23 LEU A 12 -0.589 11.267 -3.502 1.00 61.35 H new ATOM 184 N TYR A 13 -1.727 8.884 -7.886 1.00 71.24 N ATOM 185 CA TYR A 13 -2.384 8.725 -9.190 1.00 4.41 C ATOM 186 C TYR A 13 -3.074 7.355 -9.289 1.00 3.33 C ATOM 187 O TYR A 13 -2.535 6.348 -8.828 1.00 62.10 O ATOM 188 CB TYR A 13 -1.364 8.888 -10.329 1.00 70.11 C ATOM 189 CG TYR A 13 -0.789 10.290 -10.440 1.00 10.51 C ATOM 190 CD1 TYR A 13 -1.449 11.273 -11.171 1.00 31.04 C ATOM 191 CD2 TYR A 13 0.407 10.631 -9.815 1.00 23.54 C ATOM 192 CE1 TYR A 13 -0.936 12.552 -11.275 1.00 14.53 C ATOM 193 CE2 TYR A 13 0.926 11.910 -9.915 1.00 64.14 C ATOM 194 CZ TYR A 13 0.251 12.865 -10.648 1.00 5.32 C ATOM 195 OH TYR A 13 0.763 14.141 -10.750 1.00 20.53 O ATOM 0 H TYR A 13 -1.136 8.097 -7.618 1.00 71.24 H new ATOM 0 HA TYR A 13 -3.143 9.502 -9.285 1.00 4.41 H new ATOM 0 HB2 TYR A 13 -0.548 8.181 -10.177 1.00 70.11 H new ATOM 0 HB3 TYR A 13 -1.842 8.625 -11.273 1.00 70.11 H new ATOM 0 HD1 TYR A 13 -2.378 11.032 -11.666 1.00 31.04 H new ATOM 0 HD2 TYR A 13 0.939 9.885 -9.243 1.00 23.54 H new ATOM 0 HE1 TYR A 13 -1.463 13.303 -11.845 1.00 14.53 H new ATOM 0 HE2 TYR A 13 1.854 12.159 -9.422 1.00 64.14 H new ATOM 0 HH TYR A 13 1.604 14.197 -10.250 1.00 20.53 H new ATOM 205 N PRO A 14 -4.271 7.293 -9.907 1.00 61.42 N ATOM 206 CA PRO A 14 -5.052 6.044 -9.997 1.00 22.25 C ATOM 207 C PRO A 14 -4.366 4.970 -10.854 1.00 74.20 C ATOM 208 O PRO A 14 -4.085 5.184 -12.034 1.00 70.12 O ATOM 209 CB PRO A 14 -6.376 6.490 -10.638 1.00 14.41 C ATOM 210 CG PRO A 14 -6.039 7.741 -11.381 1.00 21.44 C ATOM 211 CD PRO A 14 -4.951 8.417 -10.582 1.00 3.32 C ATOM 0 HA PRO A 14 -5.174 5.577 -9.020 1.00 22.25 H new ATOM 0 HB2 PRO A 14 -6.768 5.725 -11.309 1.00 14.41 H new ATOM 0 HB3 PRO A 14 -7.140 6.673 -9.882 1.00 14.41 H new ATOM 0 HG2 PRO A 14 -5.698 7.515 -12.392 1.00 21.44 H new ATOM 0 HG3 PRO A 14 -6.912 8.386 -11.476 1.00 21.44 H new ATOM 0 HD2 PRO A 14 -4.267 8.972 -11.224 1.00 3.32 H new ATOM 0 HD3 PRO A 14 -5.362 9.127 -9.864 1.00 3.32 H new ATOM 219 N PHE A 15 -4.091 3.816 -10.252 1.00 35.12 N ATOM 220 CA PHE A 15 -3.460 2.699 -10.965 1.00 74.03 C ATOM 221 C PHE A 15 -4.213 1.386 -10.706 1.00 70.45 C ATOM 222 O PHE A 15 -4.398 0.983 -9.555 1.00 54.02 O ATOM 223 CB PHE A 15 -1.991 2.560 -10.539 1.00 10.24 C ATOM 224 CG PHE A 15 -1.237 1.490 -11.294 1.00 10.03 C ATOM 225 CD1 PHE A 15 -0.673 1.765 -12.533 1.00 32.40 C ATOM 226 CD2 PHE A 15 -1.093 0.215 -10.768 1.00 4.50 C ATOM 227 CE1 PHE A 15 0.018 0.791 -13.228 1.00 73.22 C ATOM 228 CE2 PHE A 15 -0.402 -0.762 -11.459 1.00 5.13 C ATOM 229 CZ PHE A 15 0.154 -0.475 -12.691 1.00 3.50 C ATOM 0 H PHE A 15 -4.294 3.626 -9.271 1.00 35.12 H new ATOM 0 HA PHE A 15 -3.502 2.911 -12.033 1.00 74.03 H new ATOM 0 HB2 PHE A 15 -1.488 3.516 -10.683 1.00 10.24 H new ATOM 0 HB3 PHE A 15 -1.951 2.336 -9.473 1.00 10.24 H new ATOM 0 HD1 PHE A 15 -0.776 2.752 -12.958 1.00 32.40 H new ATOM 0 HD2 PHE A 15 -1.526 -0.017 -9.806 1.00 4.50 H new ATOM 0 HE1 PHE A 15 0.452 1.019 -14.190 1.00 73.22 H new ATOM 0 HE2 PHE A 15 -0.296 -1.750 -11.036 1.00 5.13 H new ATOM 0 HZ PHE A 15 0.693 -1.238 -13.233 1.00 3.50 H new ATOM 239 N ARG A 16 -4.656 0.727 -11.775 1.00 50.43 N ATOM 240 CA ARG A 16 -5.370 -0.546 -11.649 1.00 52.13 C ATOM 241 C ARG A 16 -4.486 -1.749 -12.008 1.00 51.13 C ATOM 242 O ARG A 16 -4.285 -2.049 -13.185 1.00 61.54 O ATOM 243 CB ARG A 16 -6.617 -0.570 -12.540 1.00 71.03 C ATOM 244 CG ARG A 16 -7.667 0.486 -12.201 1.00 42.44 C ATOM 245 CD ARG A 16 -8.919 0.313 -13.056 1.00 53.32 C ATOM 246 NE ARG A 16 -9.527 -1.003 -12.872 1.00 71.32 N ATOM 247 CZ ARG A 16 -10.199 -1.647 -13.787 1.00 22.12 C ATOM 248 NH1 ARG A 16 -10.381 -1.134 -14.960 1.00 64.45 N ATOM 249 NH2 ARG A 16 -10.695 -2.805 -13.508 1.00 41.02 N ATOM 0 H ARG A 16 -4.535 1.050 -12.735 1.00 50.43 H new ATOM 0 HA ARG A 16 -5.660 -0.627 -10.601 1.00 52.13 H new ATOM 0 HB2 ARG A 16 -6.308 -0.435 -13.577 1.00 71.03 H new ATOM 0 HB3 ARG A 16 -7.077 -1.555 -12.470 1.00 71.03 H new ATOM 0 HG2 ARG A 16 -7.931 0.415 -11.146 1.00 42.44 H new ATOM 0 HG3 ARG A 16 -7.250 1.481 -12.359 1.00 42.44 H new ATOM 0 HD2 ARG A 16 -9.643 1.086 -12.800 1.00 53.32 H new ATOM 0 HD3 ARG A 16 -8.663 0.451 -14.107 1.00 53.32 H new ATOM 0 HE ARG A 16 -9.418 -1.451 -11.962 1.00 71.32 H new ATOM 0 HH11 ARG A 16 -9.997 -0.215 -15.180 1.00 64.45 H new ATOM 0 HH12 ARG A 16 -10.908 -1.649 -15.665 1.00 64.45 H new ATOM 0 HH21 ARG A 16 -10.560 -3.208 -12.581 1.00 41.02 H new ATOM 0 HH22 ARG A 16 -11.222 -3.318 -14.215 1.00 41.02 H new ATOM 263 N ARG A 17 -3.948 -2.406 -10.983 1.00 15.30 N ATOM 264 CA ARG A 17 -3.369 -3.757 -11.112 1.00 31.11 C ATOM 265 C ARG A 17 -2.123 -3.866 -12.024 1.00 22.25 C ATOM 266 O ARG A 17 -2.034 -3.242 -13.082 1.00 42.33 O ATOM 267 CB ARG A 17 -4.448 -4.711 -11.644 1.00 42.45 C ATOM 268 CG ARG A 17 -5.553 -5.049 -10.645 1.00 11.43 C ATOM 269 CD ARG A 17 -6.775 -5.652 -11.338 1.00 11.50 C ATOM 270 NE ARG A 17 -6.410 -6.473 -12.493 1.00 64.20 N ATOM 271 CZ ARG A 17 -7.269 -6.972 -13.338 1.00 41.42 C ATOM 272 NH1 ARG A 17 -8.544 -6.843 -13.149 1.00 61.01 N ATOM 273 NH2 ARG A 17 -6.841 -7.609 -14.377 1.00 32.13 N ATOM 0 H ARG A 17 -3.897 -2.025 -10.038 1.00 15.30 H new ATOM 0 HA ARG A 17 -3.027 -4.021 -10.111 1.00 31.11 H new ATOM 0 HB2 ARG A 17 -4.902 -4.266 -12.530 1.00 42.45 H new ATOM 0 HB3 ARG A 17 -3.969 -5.637 -11.962 1.00 42.45 H new ATOM 0 HG2 ARG A 17 -5.171 -5.751 -9.904 1.00 11.43 H new ATOM 0 HG3 ARG A 17 -5.847 -4.147 -10.108 1.00 11.43 H new ATOM 0 HD2 ARG A 17 -7.331 -6.260 -10.624 1.00 11.50 H new ATOM 0 HD3 ARG A 17 -7.439 -4.850 -11.660 1.00 11.50 H new ATOM 0 HE ARG A 17 -5.421 -6.667 -12.647 1.00 64.20 H new ATOM 0 HH11 ARG A 17 -8.890 -6.345 -12.329 1.00 61.01 H new ATOM 0 HH12 ARG A 17 -9.202 -7.240 -13.820 1.00 61.01 H new ATOM 0 HH21 ARG A 17 -5.839 -7.718 -14.531 1.00 32.13 H new ATOM 0 HH22 ARG A 17 -7.505 -8.003 -15.043 1.00 32.13 H new ATOM 287 N GLU A 18 -1.165 -4.682 -11.586 1.00 43.14 N ATOM 288 CA GLU A 18 -0.129 -5.229 -12.467 1.00 51.41 C ATOM 289 C GLU A 18 -0.468 -6.700 -12.765 1.00 33.02 C ATOM 290 O GLU A 18 -0.492 -7.135 -13.917 1.00 63.25 O ATOM 291 CB GLU A 18 1.260 -5.124 -11.821 1.00 64.22 C ATOM 292 CG GLU A 18 1.758 -3.694 -11.625 1.00 71.00 C ATOM 293 CD GLU A 18 3.202 -3.642 -11.150 1.00 1.24 C ATOM 294 OE1 GLU A 18 4.102 -3.974 -11.949 1.00 70.11 O ATOM 295 OE2 GLU A 18 3.445 -3.293 -9.975 1.00 70.33 O ATOM 0 H GLU A 18 -1.083 -4.983 -10.615 1.00 43.14 H new ATOM 0 HA GLU A 18 -0.104 -4.654 -13.393 1.00 51.41 H new ATOM 0 HB2 GLU A 18 1.235 -5.623 -10.852 1.00 64.22 H new ATOM 0 HB3 GLU A 18 1.977 -5.664 -12.440 1.00 64.22 H new ATOM 0 HG2 GLU A 18 1.668 -3.149 -12.565 1.00 71.00 H new ATOM 0 HG3 GLU A 18 1.122 -3.187 -10.900 1.00 71.00 H new ATOM 302 N ARG A 19 -0.722 -7.462 -11.701 1.00 74.14 N ATOM 303 CA ARG A 19 -1.331 -8.792 -11.811 1.00 33.35 C ATOM 304 C ARG A 19 -2.866 -8.660 -11.761 1.00 22.33 C ATOM 305 O ARG A 19 -3.390 -7.664 -11.259 1.00 64.04 O ATOM 306 CB ARG A 19 -0.879 -9.694 -10.652 1.00 2.42 C ATOM 307 CG ARG A 19 0.627 -9.907 -10.533 1.00 41.21 C ATOM 308 CD ARG A 19 1.200 -10.710 -11.698 1.00 54.24 C ATOM 309 NE ARG A 19 2.439 -11.389 -11.320 1.00 72.40 N ATOM 310 CZ ARG A 19 3.552 -11.344 -11.999 1.00 62.13 C ATOM 311 NH1 ARG A 19 3.632 -10.667 -13.094 1.00 1.34 N ATOM 312 NH2 ARG A 19 4.588 -11.987 -11.575 1.00 71.10 N ATOM 0 H ARG A 19 -0.514 -7.179 -10.743 1.00 74.14 H new ATOM 0 HA ARG A 19 -1.017 -9.236 -12.756 1.00 33.35 H new ATOM 0 HB2 ARG A 19 -1.242 -9.265 -9.718 1.00 2.42 H new ATOM 0 HB3 ARG A 19 -1.358 -10.667 -10.764 1.00 2.42 H new ATOM 0 HG2 ARG A 19 1.125 -8.938 -10.485 1.00 41.21 H new ATOM 0 HG3 ARG A 19 0.844 -10.424 -9.598 1.00 41.21 H new ATOM 0 HD2 ARG A 19 0.467 -11.445 -12.030 1.00 54.24 H new ATOM 0 HD3 ARG A 19 1.390 -10.046 -12.541 1.00 54.24 H new ATOM 0 HE ARG A 19 2.432 -11.939 -10.461 1.00 72.40 H new ATOM 0 HH11 ARG A 19 2.818 -10.158 -13.439 1.00 1.34 H new ATOM 0 HH12 ARG A 19 4.509 -10.641 -13.614 1.00 1.34 H new ATOM 0 HH21 ARG A 19 4.535 -12.528 -10.712 1.00 71.10 H new ATOM 0 HH22 ARG A 19 5.460 -11.954 -12.103 1.00 71.10 H new ATOM 326 N PRO A 20 -3.620 -9.662 -12.254 1.00 1.05 N ATOM 327 CA PRO A 20 -5.096 -9.641 -12.174 1.00 54.14 C ATOM 328 C PRO A 20 -5.627 -9.720 -10.725 1.00 40.40 C ATOM 329 O PRO A 20 -6.823 -9.546 -10.480 1.00 14.42 O ATOM 330 CB PRO A 20 -5.514 -10.883 -12.982 1.00 1.51 C ATOM 331 CG PRO A 20 -4.320 -11.779 -12.948 1.00 13.00 C ATOM 332 CD PRO A 20 -3.120 -10.870 -12.941 1.00 10.43 C ATOM 0 HA PRO A 20 -5.506 -8.707 -12.558 1.00 54.14 H new ATOM 0 HB2 PRO A 20 -6.385 -11.367 -12.541 1.00 1.51 H new ATOM 0 HB3 PRO A 20 -5.781 -10.618 -14.005 1.00 1.51 H new ATOM 0 HG2 PRO A 20 -4.334 -12.414 -12.062 1.00 13.00 H new ATOM 0 HG3 PRO A 20 -4.304 -12.440 -13.814 1.00 13.00 H new ATOM 0 HD2 PRO A 20 -2.279 -11.317 -12.411 1.00 10.43 H new ATOM 0 HD3 PRO A 20 -2.777 -10.647 -13.951 1.00 10.43 H new ATOM 340 N GLU A 21 -4.729 -9.970 -9.772 1.00 35.50 N ATOM 341 CA GLU A 21 -5.102 -10.124 -8.357 1.00 71.52 C ATOM 342 C GLU A 21 -4.909 -8.814 -7.562 1.00 31.45 C ATOM 343 O GLU A 21 -5.494 -8.637 -6.488 1.00 74.13 O ATOM 344 CB GLU A 21 -4.255 -11.244 -7.729 1.00 23.22 C ATOM 345 CG GLU A 21 -4.685 -11.644 -6.315 1.00 41.45 C ATOM 346 CD GLU A 21 -3.716 -12.613 -5.649 1.00 71.30 C ATOM 347 OE1 GLU A 21 -3.169 -13.494 -6.343 1.00 65.04 O ATOM 348 OE2 GLU A 21 -3.497 -12.500 -4.423 1.00 45.43 O ATOM 0 H GLU A 21 -3.730 -10.072 -9.952 1.00 35.50 H new ATOM 0 HA GLU A 21 -6.161 -10.380 -8.313 1.00 71.52 H new ATOM 0 HB2 GLU A 21 -4.302 -12.123 -8.372 1.00 23.22 H new ATOM 0 HB3 GLU A 21 -3.213 -10.924 -7.702 1.00 23.22 H new ATOM 0 HG2 GLU A 21 -4.773 -10.748 -5.701 1.00 41.45 H new ATOM 0 HG3 GLU A 21 -5.674 -12.100 -6.357 1.00 41.45 H new ATOM 355 N ASP A 22 -4.101 -7.902 -8.103 1.00 21.50 N ATOM 356 CA ASP A 22 -3.709 -6.675 -7.392 1.00 43.20 C ATOM 357 C ASP A 22 -4.901 -5.762 -7.048 1.00 43.12 C ATOM 358 O ASP A 22 -6.038 -5.995 -7.464 1.00 31.31 O ATOM 359 CB ASP A 22 -2.694 -5.886 -8.225 1.00 3.41 C ATOM 360 CG ASP A 22 -1.421 -6.663 -8.517 1.00 60.42 C ATOM 361 OD1 ASP A 22 -1.317 -7.836 -8.108 1.00 2.31 O ATOM 362 OD2 ASP A 22 -0.529 -6.096 -9.181 1.00 12.52 O ATOM 0 H ASP A 22 -3.701 -7.987 -9.037 1.00 21.50 H new ATOM 0 HA ASP A 22 -3.266 -6.996 -6.449 1.00 43.20 H new ATOM 0 HB2 ASP A 22 -3.157 -5.594 -9.167 1.00 3.41 H new ATOM 0 HB3 ASP A 22 -2.438 -4.967 -7.697 1.00 3.41 H new ATOM 367 N LEU A 23 -4.615 -4.699 -6.304 1.00 24.11 N ATOM 368 CA LEU A 23 -5.641 -3.763 -5.839 1.00 35.43 C ATOM 369 C LEU A 23 -5.687 -2.499 -6.721 1.00 30.42 C ATOM 370 O LEU A 23 -4.681 -2.097 -7.309 1.00 51.43 O ATOM 371 CB LEU A 23 -5.354 -3.385 -4.378 1.00 51.14 C ATOM 372 CG LEU A 23 -6.413 -2.511 -3.689 1.00 24.35 C ATOM 373 CD1 LEU A 23 -7.775 -3.204 -3.686 1.00 52.12 C ATOM 374 CD2 LEU A 23 -5.977 -2.175 -2.266 1.00 22.23 C ATOM 0 H LEU A 23 -3.670 -4.459 -6.005 1.00 24.11 H new ATOM 0 HA LEU A 23 -6.615 -4.248 -5.909 1.00 35.43 H new ATOM 0 HB2 LEU A 23 -5.238 -4.303 -3.802 1.00 51.14 H new ATOM 0 HB3 LEU A 23 -4.399 -2.862 -4.340 1.00 51.14 H new ATOM 0 HG LEU A 23 -6.510 -1.583 -4.252 1.00 24.35 H new ATOM 0 HD11 LEU A 23 -8.507 -2.565 -3.193 1.00 52.12 H new ATOM 0 HD12 LEU A 23 -8.090 -3.392 -4.712 1.00 52.12 H new ATOM 0 HD13 LEU A 23 -7.700 -4.151 -3.151 1.00 52.12 H new ATOM 0 HD21 LEU A 23 -6.737 -1.555 -1.789 1.00 22.23 H new ATOM 0 HD22 LEU A 23 -5.851 -3.096 -1.697 1.00 22.23 H new ATOM 0 HD23 LEU A 23 -5.032 -1.633 -2.293 1.00 22.23 H new ATOM 386 N GLU A 24 -6.863 -1.877 -6.807 1.00 71.01 N ATOM 387 CA GLU A 24 -7.061 -0.688 -7.650 1.00 2.13 C ATOM 388 C GLU A 24 -6.955 0.607 -6.820 1.00 11.13 C ATOM 389 O GLU A 24 -7.622 0.755 -5.796 1.00 51.44 O ATOM 390 CB GLU A 24 -8.427 -0.771 -8.352 1.00 73.40 C ATOM 391 CG GLU A 24 -8.646 -2.094 -9.091 1.00 44.30 C ATOM 392 CD GLU A 24 -9.968 -2.171 -9.840 1.00 50.01 C ATOM 393 OE1 GLU A 24 -10.926 -1.465 -9.463 1.00 52.21 O ATOM 394 OE2 GLU A 24 -10.054 -2.942 -10.818 1.00 21.00 O ATOM 0 H GLU A 24 -7.698 -2.175 -6.303 1.00 71.01 H new ATOM 0 HA GLU A 24 -6.274 -0.662 -8.403 1.00 2.13 H new ATOM 0 HB2 GLU A 24 -9.217 -0.640 -7.612 1.00 73.40 H new ATOM 0 HB3 GLU A 24 -8.515 0.052 -9.061 1.00 73.40 H new ATOM 0 HG2 GLU A 24 -7.830 -2.243 -9.798 1.00 44.30 H new ATOM 0 HG3 GLU A 24 -8.599 -2.912 -8.372 1.00 44.30 H new ATOM 401 N LEU A 25 -6.112 1.538 -7.274 1.00 2.44 N ATOM 402 CA LEU A 25 -5.823 2.769 -6.521 1.00 5.05 C ATOM 403 C LEU A 25 -6.540 4.000 -7.105 1.00 62.04 C ATOM 404 O LEU A 25 -6.774 4.083 -8.312 1.00 61.15 O ATOM 405 CB LEU A 25 -4.307 3.013 -6.505 1.00 43.40 C ATOM 406 CG LEU A 25 -3.462 1.845 -5.964 1.00 31.10 C ATOM 407 CD1 LEU A 25 -1.976 2.200 -5.964 1.00 1.23 C ATOM 408 CD2 LEU A 25 -3.927 1.451 -4.562 1.00 21.02 C ATOM 0 H LEU A 25 -5.615 1.466 -8.162 1.00 2.44 H new ATOM 0 HA LEU A 25 -6.197 2.629 -5.507 1.00 5.05 H new ATOM 0 HB2 LEU A 25 -3.980 3.237 -7.520 1.00 43.40 H new ATOM 0 HB3 LEU A 25 -4.104 3.898 -5.902 1.00 43.40 H new ATOM 0 HG LEU A 25 -3.602 0.989 -6.624 1.00 31.10 H new ATOM 0 HD11 LEU A 25 -1.401 1.359 -5.577 1.00 1.23 H new ATOM 0 HD12 LEU A 25 -1.655 2.422 -6.982 1.00 1.23 H new ATOM 0 HD13 LEU A 25 -1.810 3.073 -5.333 1.00 1.23 H new ATOM 0 HD21 LEU A 25 -3.318 0.624 -4.196 1.00 21.02 H new ATOM 0 HD22 LEU A 25 -3.822 2.304 -3.891 1.00 21.02 H new ATOM 0 HD23 LEU A 25 -4.972 1.144 -4.598 1.00 21.02 H new ATOM 420 N LEU A 26 -6.882 4.951 -6.234 1.00 75.50 N ATOM 421 CA LEU A 26 -7.549 6.207 -6.630 1.00 21.11 C ATOM 422 C LEU A 26 -6.686 7.426 -6.245 1.00 22.44 C ATOM 423 O LEU A 26 -5.867 7.344 -5.335 1.00 10.25 O ATOM 424 CB LEU A 26 -8.936 6.324 -5.958 1.00 40.03 C ATOM 425 CG LEU A 26 -10.069 5.470 -6.561 1.00 51.52 C ATOM 426 CD1 LEU A 26 -10.258 5.785 -8.044 1.00 12.04 C ATOM 427 CD2 LEU A 26 -9.815 3.980 -6.352 1.00 74.22 C ATOM 0 H LEU A 26 -6.707 4.878 -5.232 1.00 75.50 H new ATOM 0 HA LEU A 26 -7.678 6.190 -7.712 1.00 21.11 H new ATOM 0 HB2 LEU A 26 -8.829 6.055 -4.907 1.00 40.03 H new ATOM 0 HB3 LEU A 26 -9.243 7.369 -5.990 1.00 40.03 H new ATOM 0 HG LEU A 26 -10.990 5.726 -6.037 1.00 51.52 H new ATOM 0 HD11 LEU A 26 -11.063 5.170 -8.447 1.00 12.04 H new ATOM 0 HD12 LEU A 26 -10.512 6.838 -8.163 1.00 12.04 H new ATOM 0 HD13 LEU A 26 -9.334 5.572 -8.582 1.00 12.04 H new ATOM 0 HD21 LEU A 26 -10.633 3.407 -6.789 1.00 74.22 H new ATOM 0 HD22 LEU A 26 -8.878 3.700 -6.833 1.00 74.22 H new ATOM 0 HD23 LEU A 26 -9.753 3.768 -5.285 1.00 74.22 H new ATOM 439 N PRO A 27 -6.852 8.582 -6.923 1.00 62.44 N ATOM 440 CA PRO A 27 -6.083 9.790 -6.587 1.00 24.15 C ATOM 441 C PRO A 27 -6.528 10.417 -5.247 1.00 41.24 C ATOM 442 O PRO A 27 -7.592 11.035 -5.153 1.00 72.14 O ATOM 443 CB PRO A 27 -6.374 10.729 -7.769 1.00 73.45 C ATOM 444 CG PRO A 27 -7.712 10.301 -8.271 1.00 34.42 C ATOM 445 CD PRO A 27 -7.789 8.809 -8.044 1.00 63.21 C ATOM 0 HA PRO A 27 -5.022 9.583 -6.449 1.00 24.15 H new ATOM 0 HB2 PRO A 27 -6.385 11.772 -7.453 1.00 73.45 H new ATOM 0 HB3 PRO A 27 -5.613 10.638 -8.544 1.00 73.45 H new ATOM 0 HG2 PRO A 27 -8.511 10.818 -7.739 1.00 34.42 H new ATOM 0 HG3 PRO A 27 -7.826 10.540 -9.328 1.00 34.42 H new ATOM 0 HD2 PRO A 27 -8.801 8.493 -7.791 1.00 63.21 H new ATOM 0 HD3 PRO A 27 -7.494 8.252 -8.933 1.00 63.21 H new ATOM 453 N GLY A 28 -5.713 10.236 -4.209 1.00 20.33 N ATOM 454 CA GLY A 28 -6.024 10.795 -2.895 1.00 30.44 C ATOM 455 C GLY A 28 -6.902 9.877 -2.042 1.00 5.15 C ATOM 456 O GLY A 28 -7.927 10.306 -1.504 1.00 41.14 O ATOM 0 H GLY A 28 -4.839 9.711 -4.251 1.00 20.33 H new ATOM 0 HA2 GLY A 28 -5.094 10.995 -2.363 1.00 30.44 H new ATOM 0 HA3 GLY A 28 -6.529 11.752 -3.025 1.00 30.44 H new ATOM 460 N ASP A 29 -6.514 8.608 -1.940 1.00 4.42 N ATOM 461 CA ASP A 29 -7.220 7.635 -1.097 1.00 23.42 C ATOM 462 C ASP A 29 -6.414 7.295 0.178 1.00 41.32 C ATOM 463 O ASP A 29 -5.298 7.778 0.367 1.00 12.33 O ATOM 464 CB ASP A 29 -7.543 6.363 -1.903 1.00 44.24 C ATOM 465 CG ASP A 29 -6.334 5.737 -2.577 1.00 74.31 C ATOM 466 OD1 ASP A 29 -5.199 6.173 -2.305 1.00 1.25 O ATOM 467 OD2 ASP A 29 -6.525 4.799 -3.380 1.00 31.41 O ATOM 0 H ASP A 29 -5.708 8.223 -2.433 1.00 4.42 H new ATOM 0 HA ASP A 29 -8.157 8.088 -0.774 1.00 23.42 H new ATOM 0 HB2 ASP A 29 -7.996 5.628 -1.237 1.00 44.24 H new ATOM 0 HB3 ASP A 29 -8.285 6.605 -2.663 1.00 44.24 H new ATOM 472 N VAL A 30 -7.008 6.504 1.072 1.00 12.14 N ATOM 473 CA VAL A 30 -6.333 6.081 2.310 1.00 21.23 C ATOM 474 C VAL A 30 -6.283 4.548 2.426 1.00 34.53 C ATOM 475 O VAL A 30 -7.315 3.893 2.561 1.00 12.44 O ATOM 476 CB VAL A 30 -7.038 6.657 3.565 1.00 42.40 C ATOM 477 CG1 VAL A 30 -6.305 6.237 4.841 1.00 33.51 C ATOM 478 CG2 VAL A 30 -7.139 8.177 3.473 1.00 63.22 C ATOM 0 H VAL A 30 -7.955 6.141 0.966 1.00 12.14 H new ATOM 0 HA VAL A 30 -5.316 6.471 2.259 1.00 21.23 H new ATOM 0 HB VAL A 30 -8.048 6.249 3.607 1.00 42.40 H new ATOM 0 HG11 VAL A 30 -6.817 6.653 5.709 1.00 33.51 H new ATOM 0 HG12 VAL A 30 -6.294 5.149 4.913 1.00 33.51 H new ATOM 0 HG13 VAL A 30 -5.281 6.609 4.812 1.00 33.51 H new ATOM 0 HG21 VAL A 30 -7.637 8.563 4.363 1.00 63.22 H new ATOM 0 HG22 VAL A 30 -6.139 8.604 3.402 1.00 63.22 H new ATOM 0 HG23 VAL A 30 -7.714 8.451 2.588 1.00 63.22 H new ATOM 488 N LEU A 31 -5.082 3.981 2.366 1.00 73.15 N ATOM 489 CA LEU A 31 -4.900 2.529 2.488 1.00 23.51 C ATOM 490 C LEU A 31 -4.331 2.155 3.865 1.00 52.45 C ATOM 491 O LEU A 31 -3.343 2.733 4.311 1.00 11.51 O ATOM 492 CB LEU A 31 -3.958 2.001 1.393 1.00 63.10 C ATOM 493 CG LEU A 31 -4.406 2.249 -0.060 1.00 74.13 C ATOM 494 CD1 LEU A 31 -4.213 3.710 -0.461 1.00 73.14 C ATOM 495 CD2 LEU A 31 -3.662 1.322 -1.015 1.00 2.13 C ATOM 0 H LEU A 31 -4.215 4.502 2.233 1.00 73.15 H new ATOM 0 HA LEU A 31 -5.882 2.070 2.372 1.00 23.51 H new ATOM 0 HB2 LEU A 31 -2.978 2.458 1.533 1.00 63.10 H new ATOM 0 HB3 LEU A 31 -3.833 0.928 1.536 1.00 63.10 H new ATOM 0 HG LEU A 31 -5.471 2.028 -0.124 1.00 74.13 H new ATOM 0 HD11 LEU A 31 -4.539 3.851 -1.492 1.00 73.14 H new ATOM 0 HD12 LEU A 31 -4.803 4.349 0.196 1.00 73.14 H new ATOM 0 HD13 LEU A 31 -3.159 3.975 -0.374 1.00 73.14 H new ATOM 0 HD21 LEU A 31 -3.991 1.512 -2.037 1.00 2.13 H new ATOM 0 HD22 LEU A 31 -2.590 1.506 -0.939 1.00 2.13 H new ATOM 0 HD23 LEU A 31 -3.872 0.285 -0.753 1.00 2.13 H new ATOM 507 N VAL A 32 -4.954 1.187 4.532 1.00 72.00 N ATOM 508 CA VAL A 32 -4.468 0.707 5.833 1.00 22.51 C ATOM 509 C VAL A 32 -3.754 -0.649 5.695 1.00 24.41 C ATOM 510 O VAL A 32 -4.380 -1.666 5.384 1.00 0.03 O ATOM 511 CB VAL A 32 -5.627 0.574 6.854 1.00 11.52 C ATOM 512 CG1 VAL A 32 -5.110 0.114 8.219 1.00 12.42 C ATOM 513 CG2 VAL A 32 -6.389 1.893 6.981 1.00 62.24 C ATOM 0 H VAL A 32 -5.795 0.717 4.198 1.00 72.00 H new ATOM 0 HA VAL A 32 -3.757 1.448 6.199 1.00 22.51 H new ATOM 0 HB VAL A 32 -6.315 -0.186 6.483 1.00 11.52 H new ATOM 0 HG11 VAL A 32 -5.945 0.030 8.915 1.00 12.42 H new ATOM 0 HG12 VAL A 32 -4.624 -0.856 8.116 1.00 12.42 H new ATOM 0 HG13 VAL A 32 -4.392 0.841 8.600 1.00 12.42 H new ATOM 0 HG21 VAL A 32 -7.198 1.778 7.702 1.00 62.24 H new ATOM 0 HG22 VAL A 32 -5.709 2.675 7.320 1.00 62.24 H new ATOM 0 HG23 VAL A 32 -6.804 2.168 6.011 1.00 62.24 H new ATOM 523 N VAL A 33 -2.438 -0.651 5.912 1.00 42.44 N ATOM 524 CA VAL A 33 -1.626 -1.877 5.856 1.00 12.05 C ATOM 525 C VAL A 33 -1.285 -2.385 7.268 1.00 54.04 C ATOM 526 O VAL A 33 -0.787 -1.634 8.104 1.00 72.44 O ATOM 527 CB VAL A 33 -0.306 -1.636 5.075 1.00 5.14 C ATOM 528 CG1 VAL A 33 0.532 -2.914 5.002 1.00 43.31 C ATOM 529 CG2 VAL A 33 -0.601 -1.095 3.678 1.00 62.22 C ATOM 0 H VAL A 33 -1.903 0.190 6.131 1.00 42.44 H new ATOM 0 HA VAL A 33 -2.221 -2.630 5.338 1.00 12.05 H new ATOM 0 HB VAL A 33 0.276 -0.889 5.615 1.00 5.14 H new ATOM 0 HG11 VAL A 33 1.450 -2.716 4.450 1.00 43.31 H new ATOM 0 HG12 VAL A 33 0.779 -3.245 6.011 1.00 43.31 H new ATOM 0 HG13 VAL A 33 -0.036 -3.693 4.494 1.00 43.31 H new ATOM 0 HG21 VAL A 33 0.336 -0.932 3.146 1.00 62.22 H new ATOM 0 HG22 VAL A 33 -1.209 -1.815 3.130 1.00 62.22 H new ATOM 0 HG23 VAL A 33 -1.141 -0.151 3.760 1.00 62.22 H new ATOM 539 N SER A 34 -1.551 -3.664 7.527 1.00 72.22 N ATOM 540 CA SER A 34 -1.283 -4.263 8.844 1.00 2.01 C ATOM 541 C SER A 34 0.218 -4.465 9.086 1.00 43.12 C ATOM 542 O SER A 34 0.969 -4.813 8.171 1.00 42.43 O ATOM 543 CB SER A 34 -2.014 -5.609 8.987 1.00 74.52 C ATOM 544 OG SER A 34 -1.644 -6.523 7.961 1.00 2.13 O ATOM 0 H SER A 34 -1.952 -4.309 6.846 1.00 72.22 H new ATOM 0 HA SER A 34 -1.657 -3.565 9.594 1.00 2.01 H new ATOM 0 HB2 SER A 34 -1.787 -6.044 9.960 1.00 74.52 H new ATOM 0 HB3 SER A 34 -3.091 -5.443 8.955 1.00 74.52 H new ATOM 0 HG SER A 34 -2.127 -7.367 8.085 1.00 2.13 H new ATOM 550 N ARG A 35 0.654 -4.246 10.330 1.00 45.54 N ATOM 551 CA ARG A 35 2.061 -4.456 10.707 1.00 43.14 C ATOM 552 C ARG A 35 2.541 -5.879 10.360 1.00 4.41 C ATOM 553 O ARG A 35 3.686 -6.074 9.945 1.00 33.12 O ATOM 554 CB ARG A 35 2.268 -4.166 12.205 1.00 2.45 C ATOM 555 CG ARG A 35 1.278 -4.870 13.133 1.00 51.44 C ATOM 556 CD ARG A 35 1.573 -4.560 14.601 1.00 74.24 C ATOM 557 NE ARG A 35 0.531 -5.053 15.502 1.00 65.45 N ATOM 558 CZ ARG A 35 0.702 -5.262 16.782 1.00 71.33 C ATOM 559 NH1 ARG A 35 1.862 -5.083 17.332 1.00 72.44 N ATOM 560 NH2 ARG A 35 -0.294 -5.655 17.511 1.00 44.22 N ATOM 0 H ARG A 35 0.058 -3.925 11.093 1.00 45.54 H new ATOM 0 HA ARG A 35 2.663 -3.757 10.127 1.00 43.14 H new ATOM 0 HB2 ARG A 35 3.280 -4.463 12.482 1.00 2.45 H new ATOM 0 HB3 ARG A 35 2.195 -3.091 12.367 1.00 2.45 H new ATOM 0 HG2 ARG A 35 0.263 -4.556 12.890 1.00 51.44 H new ATOM 0 HG3 ARG A 35 1.326 -5.947 12.970 1.00 51.44 H new ATOM 0 HD2 ARG A 35 2.528 -5.007 14.878 1.00 74.24 H new ATOM 0 HD3 ARG A 35 1.677 -3.482 14.727 1.00 74.24 H new ATOM 0 HE ARG A 35 -0.389 -5.246 15.106 1.00 65.45 H new ATOM 0 HH11 ARG A 35 2.653 -4.776 16.766 1.00 72.44 H new ATOM 0 HH12 ARG A 35 1.984 -5.249 18.331 1.00 72.44 H new ATOM 0 HH21 ARG A 35 -1.210 -5.801 17.087 1.00 44.22 H new ATOM 0 HH22 ARG A 35 -0.162 -5.818 18.509 1.00 44.22 H new ATOM 574 N ALA A 36 1.651 -6.862 10.507 1.00 74.32 N ATOM 575 CA ALA A 36 1.957 -8.254 10.153 1.00 64.55 C ATOM 576 C ALA A 36 2.298 -8.405 8.660 1.00 1.40 C ATOM 577 O ALA A 36 3.136 -9.227 8.285 1.00 45.12 O ATOM 578 CB ALA A 36 0.783 -9.155 10.522 1.00 74.22 C ATOM 0 H ALA A 36 0.708 -6.721 10.870 1.00 74.32 H new ATOM 0 HA ALA A 36 2.838 -8.556 10.720 1.00 64.55 H new ATOM 0 HB1 ALA A 36 1.018 -10.186 10.256 1.00 74.22 H new ATOM 0 HB2 ALA A 36 0.597 -9.090 11.594 1.00 74.22 H new ATOM 0 HB3 ALA A 36 -0.106 -8.834 9.980 1.00 74.22 H new ATOM 584 N ALA A 37 1.654 -7.596 7.817 1.00 53.00 N ATOM 585 CA ALA A 37 1.880 -7.644 6.367 1.00 44.21 C ATOM 586 C ALA A 37 3.305 -7.199 6.002 1.00 55.20 C ATOM 587 O ALA A 37 4.021 -7.901 5.286 1.00 52.44 O ATOM 588 CB ALA A 37 0.852 -6.779 5.642 1.00 50.12 C ATOM 0 H ALA A 37 0.971 -6.898 8.111 1.00 53.00 H new ATOM 0 HA ALA A 37 1.764 -8.679 6.047 1.00 44.21 H new ATOM 0 HB1 ALA A 37 1.031 -6.824 4.568 1.00 50.12 H new ATOM 0 HB2 ALA A 37 -0.151 -7.148 5.858 1.00 50.12 H new ATOM 0 HB3 ALA A 37 0.940 -5.747 5.982 1.00 50.12 H new ATOM 594 N LEU A 38 3.716 -6.037 6.513 1.00 3.44 N ATOM 595 CA LEU A 38 5.072 -5.516 6.271 1.00 43.44 C ATOM 596 C LEU A 38 6.147 -6.540 6.670 1.00 12.13 C ATOM 597 O LEU A 38 7.122 -6.756 5.944 1.00 61.44 O ATOM 598 CB LEU A 38 5.289 -4.208 7.044 1.00 62.00 C ATOM 599 CG LEU A 38 4.363 -3.046 6.645 1.00 33.31 C ATOM 600 CD1 LEU A 38 4.596 -1.834 7.545 1.00 44.33 C ATOM 601 CD2 LEU A 38 4.561 -2.672 5.176 1.00 1.45 C ATOM 0 H LEU A 38 3.134 -5.436 7.097 1.00 3.44 H new ATOM 0 HA LEU A 38 5.164 -5.323 5.202 1.00 43.44 H new ATOM 0 HB2 LEU A 38 5.156 -4.408 8.107 1.00 62.00 H new ATOM 0 HB3 LEU A 38 6.323 -3.891 6.906 1.00 62.00 H new ATOM 0 HG LEU A 38 3.332 -3.376 6.776 1.00 33.31 H new ATOM 0 HD11 LEU A 38 3.931 -1.025 7.245 1.00 44.33 H new ATOM 0 HD12 LEU A 38 4.393 -2.106 8.581 1.00 44.33 H new ATOM 0 HD13 LEU A 38 5.631 -1.506 7.453 1.00 44.33 H new ATOM 0 HD21 LEU A 38 3.896 -1.848 4.917 1.00 1.45 H new ATOM 0 HD22 LEU A 38 5.595 -2.368 5.014 1.00 1.45 H new ATOM 0 HD23 LEU A 38 4.334 -3.533 4.548 1.00 1.45 H new ATOM 613 N GLN A 39 5.955 -7.178 7.822 1.00 51.43 N ATOM 614 CA GLN A 39 6.886 -8.205 8.304 1.00 75.21 C ATOM 615 C GLN A 39 6.822 -9.475 7.439 1.00 34.10 C ATOM 616 O GLN A 39 7.833 -10.145 7.228 1.00 42.52 O ATOM 617 CB GLN A 39 6.597 -8.538 9.771 1.00 22.23 C ATOM 618 CG GLN A 39 6.731 -7.338 10.702 1.00 21.52 C ATOM 619 CD GLN A 39 6.591 -7.702 12.169 1.00 74.45 C ATOM 620 OE1 GLN A 39 6.940 -8.801 12.588 1.00 74.14 O ATOM 621 NE2 GLN A 39 6.095 -6.779 12.965 1.00 64.22 N ATOM 0 H GLN A 39 5.164 -7.005 8.442 1.00 51.43 H new ATOM 0 HA GLN A 39 7.896 -7.804 8.226 1.00 75.21 H new ATOM 0 HB2 GLN A 39 5.587 -8.941 9.852 1.00 22.23 H new ATOM 0 HB3 GLN A 39 7.280 -9.321 10.099 1.00 22.23 H new ATOM 0 HG2 GLN A 39 7.701 -6.868 10.542 1.00 21.52 H new ATOM 0 HG3 GLN A 39 5.973 -6.599 10.443 1.00 21.52 H new ATOM 0 HE21 GLN A 39 5.814 -5.875 12.585 1.00 64.22 H new ATOM 0 HE22 GLN A 39 5.991 -6.967 13.962 1.00 64.22 H new ATOM 630 N ALA A 40 5.634 -9.795 6.925 1.00 22.35 N ATOM 631 CA ALA A 40 5.463 -10.935 6.011 1.00 61.54 C ATOM 632 C ALA A 40 6.163 -10.677 4.665 1.00 50.34 C ATOM 633 O ALA A 40 6.486 -11.606 3.926 1.00 23.22 O ATOM 634 CB ALA A 40 3.979 -11.218 5.791 1.00 32.40 C ATOM 0 H ALA A 40 4.774 -9.284 7.123 1.00 22.35 H new ATOM 0 HA ALA A 40 5.926 -11.809 6.470 1.00 61.54 H new ATOM 0 HB1 ALA A 40 3.867 -12.064 5.113 1.00 32.40 H new ATOM 0 HB2 ALA A 40 3.508 -11.453 6.745 1.00 32.40 H new ATOM 0 HB3 ALA A 40 3.501 -10.339 5.357 1.00 32.40 H new ATOM 640 N LEU A 41 6.377 -9.401 4.354 1.00 3.03 N ATOM 641 CA LEU A 41 7.130 -8.994 3.157 1.00 63.22 C ATOM 642 C LEU A 41 8.642 -8.936 3.441 1.00 30.33 C ATOM 643 O LEU A 41 9.454 -8.785 2.524 1.00 43.24 O ATOM 644 CB LEU A 41 6.643 -7.618 2.685 1.00 30.11 C ATOM 645 CG LEU A 41 5.156 -7.539 2.299 1.00 4.23 C ATOM 646 CD1 LEU A 41 4.737 -6.093 2.056 1.00 20.21 C ATOM 647 CD2 LEU A 41 4.871 -8.402 1.069 1.00 64.24 C ATOM 0 H LEU A 41 6.039 -8.620 4.916 1.00 3.03 H new ATOM 0 HA LEU A 41 6.957 -9.737 2.378 1.00 63.22 H new ATOM 0 HB2 LEU A 41 6.834 -6.893 3.476 1.00 30.11 H new ATOM 0 HB3 LEU A 41 7.240 -7.316 1.825 1.00 30.11 H new ATOM 0 HG LEU A 41 4.567 -7.927 3.130 1.00 4.23 H new ATOM 0 HD11 LEU A 41 3.682 -6.061 1.784 1.00 20.21 H new ATOM 0 HD12 LEU A 41 4.896 -5.511 2.964 1.00 20.21 H new ATOM 0 HD13 LEU A 41 5.333 -5.673 1.246 1.00 20.21 H new ATOM 0 HD21 LEU A 41 3.814 -8.332 0.813 1.00 64.24 H new ATOM 0 HD22 LEU A 41 5.472 -8.050 0.230 1.00 64.24 H new ATOM 0 HD23 LEU A 41 5.124 -9.440 1.286 1.00 64.24 H new ATOM 659 N GLY A 42 9.009 -9.044 4.717 1.00 21.30 N ATOM 660 CA GLY A 42 10.410 -8.955 5.111 1.00 12.44 C ATOM 661 C GLY A 42 10.976 -7.542 4.999 1.00 23.32 C ATOM 662 O GLY A 42 12.154 -7.360 4.686 1.00 3.41 O ATOM 0 H GLY A 42 8.359 -9.192 5.489 1.00 21.30 H new ATOM 0 HA2 GLY A 42 10.515 -9.301 6.139 1.00 12.44 H new ATOM 0 HA3 GLY A 42 11.000 -9.627 4.487 1.00 12.44 H new ATOM 666 N VAL A 43 10.136 -6.537 5.245 1.00 63.41 N ATOM 667 CA VAL A 43 10.568 -5.136 5.175 1.00 50.43 C ATOM 668 C VAL A 43 11.520 -4.785 6.331 1.00 11.31 C ATOM 669 O VAL A 43 11.277 -5.147 7.485 1.00 3.52 O ATOM 670 CB VAL A 43 9.355 -4.168 5.196 1.00 71.43 C ATOM 671 CG1 VAL A 43 9.808 -2.707 5.135 1.00 14.22 C ATOM 672 CG2 VAL A 43 8.397 -4.482 4.048 1.00 42.52 C ATOM 0 H VAL A 43 9.155 -6.663 5.494 1.00 63.41 H new ATOM 0 HA VAL A 43 11.099 -5.017 4.231 1.00 50.43 H new ATOM 0 HB VAL A 43 8.827 -4.315 6.139 1.00 71.43 H new ATOM 0 HG11 VAL A 43 8.935 -2.054 5.151 1.00 14.22 H new ATOM 0 HG12 VAL A 43 10.442 -2.487 5.994 1.00 14.22 H new ATOM 0 HG13 VAL A 43 10.370 -2.538 4.216 1.00 14.22 H new ATOM 0 HG21 VAL A 43 7.553 -3.793 4.080 1.00 42.52 H new ATOM 0 HG22 VAL A 43 8.920 -4.372 3.098 1.00 42.52 H new ATOM 0 HG23 VAL A 43 8.034 -5.505 4.147 1.00 42.52 H new ATOM 682 N ALA A 44 12.606 -4.087 6.010 1.00 50.01 N ATOM 683 CA ALA A 44 13.585 -3.668 7.016 1.00 62.35 C ATOM 684 C ALA A 44 13.146 -2.381 7.730 1.00 3.32 C ATOM 685 O ALA A 44 12.783 -1.395 7.086 1.00 13.20 O ATOM 686 CB ALA A 44 14.955 -3.476 6.370 1.00 22.15 C ATOM 0 H ALA A 44 12.833 -3.798 5.059 1.00 50.01 H new ATOM 0 HA ALA A 44 13.651 -4.456 7.766 1.00 62.35 H new ATOM 0 HB1 ALA A 44 15.674 -3.165 7.128 1.00 22.15 H new ATOM 0 HB2 ALA A 44 15.282 -4.415 5.924 1.00 22.15 H new ATOM 0 HB3 ALA A 44 14.889 -2.711 5.597 1.00 22.15 H new ATOM 692 N GLU A 45 13.187 -2.406 9.063 1.00 43.54 N ATOM 693 CA GLU A 45 12.825 -1.246 9.887 1.00 73.50 C ATOM 694 C GLU A 45 13.544 0.022 9.391 1.00 62.11 C ATOM 695 O GLU A 45 14.775 0.108 9.421 1.00 3.23 O ATOM 696 CB GLU A 45 13.172 -1.540 11.360 1.00 74.12 C ATOM 697 CG GLU A 45 12.608 -0.545 12.379 1.00 33.15 C ATOM 698 CD GLU A 45 13.310 0.806 12.369 1.00 2.21 C ATOM 699 OE1 GLU A 45 14.527 0.850 12.639 1.00 45.11 O ATOM 700 OE2 GLU A 45 12.650 1.827 12.088 1.00 4.24 O ATOM 0 H GLU A 45 13.470 -3.225 9.602 1.00 43.54 H new ATOM 0 HA GLU A 45 11.753 -1.066 9.805 1.00 73.50 H new ATOM 0 HB2 GLU A 45 12.807 -2.536 11.610 1.00 74.12 H new ATOM 0 HB3 GLU A 45 14.257 -1.563 11.462 1.00 74.12 H new ATOM 0 HG2 GLU A 45 11.547 -0.395 12.178 1.00 33.15 H new ATOM 0 HG3 GLU A 45 12.685 -0.977 13.377 1.00 33.15 H new ATOM 707 N GLY A 46 12.768 0.996 8.930 1.00 62.12 N ATOM 708 CA GLY A 46 13.337 2.212 8.359 1.00 62.33 C ATOM 709 C GLY A 46 13.071 2.338 6.862 1.00 10.14 C ATOM 710 O GLY A 46 13.513 3.297 6.225 1.00 72.12 O ATOM 0 H GLY A 46 11.748 0.969 8.940 1.00 62.12 H new ATOM 0 HA2 GLY A 46 12.921 3.079 8.872 1.00 62.33 H new ATOM 0 HA3 GLY A 46 14.413 2.223 8.535 1.00 62.33 H new ATOM 714 N GLY A 47 12.337 1.377 6.299 1.00 13.43 N ATOM 715 CA GLY A 47 12.017 1.396 4.871 1.00 60.04 C ATOM 716 C GLY A 47 10.548 1.709 4.585 1.00 51.34 C ATOM 717 O GLY A 47 10.113 1.664 3.435 1.00 15.21 O ATOM 0 H GLY A 47 11.955 0.579 6.807 1.00 13.43 H new ATOM 0 HA2 GLY A 47 12.643 2.138 4.375 1.00 60.04 H new ATOM 0 HA3 GLY A 47 12.266 0.428 4.437 1.00 60.04 H new ATOM 721 N GLU A 48 9.790 2.039 5.632 1.00 72.14 N ATOM 722 CA GLU A 48 8.354 2.340 5.505 1.00 13.14 C ATOM 723 C GLU A 48 8.093 3.521 4.547 1.00 45.50 C ATOM 724 O GLU A 48 7.044 3.588 3.901 1.00 51.45 O ATOM 725 CB GLU A 48 7.726 2.643 6.882 1.00 65.35 C ATOM 726 CG GLU A 48 7.824 1.504 7.904 1.00 51.22 C ATOM 727 CD GLU A 48 9.197 1.393 8.559 1.00 34.42 C ATOM 728 OE1 GLU A 48 10.091 0.738 7.990 1.00 43.21 O ATOM 729 OE2 GLU A 48 9.393 1.980 9.647 1.00 1.31 O ATOM 0 H GLU A 48 10.145 2.106 6.586 1.00 72.14 H new ATOM 0 HA GLU A 48 7.885 1.450 5.085 1.00 13.14 H new ATOM 0 HB2 GLU A 48 8.209 3.527 7.298 1.00 65.35 H new ATOM 0 HB3 GLU A 48 6.675 2.892 6.738 1.00 65.35 H new ATOM 0 HG2 GLU A 48 7.072 1.655 8.678 1.00 51.22 H new ATOM 0 HG3 GLU A 48 7.588 0.561 7.410 1.00 51.22 H new ATOM 736 N ARG A 49 9.050 4.449 4.465 1.00 45.44 N ATOM 737 CA ARG A 49 8.935 5.618 3.578 1.00 30.55 C ATOM 738 C ARG A 49 9.294 5.283 2.117 1.00 71.33 C ATOM 739 O ARG A 49 9.201 6.141 1.236 1.00 12.03 O ATOM 740 CB ARG A 49 9.843 6.749 4.083 1.00 22.11 C ATOM 741 CG ARG A 49 9.367 7.393 5.382 1.00 54.35 C ATOM 742 CD ARG A 49 10.399 8.374 5.932 1.00 21.15 C ATOM 743 NE ARG A 49 11.623 7.692 6.358 1.00 43.11 N ATOM 744 CZ ARG A 49 12.836 8.100 6.092 1.00 22.32 C ATOM 745 NH1 ARG A 49 13.046 9.193 5.432 1.00 21.10 N ATOM 746 NH2 ARG A 49 13.850 7.413 6.503 1.00 70.15 N ATOM 0 H ARG A 49 9.917 4.416 5.002 1.00 45.44 H new ATOM 0 HA ARG A 49 7.893 5.936 3.597 1.00 30.55 H new ATOM 0 HB2 ARG A 49 10.848 6.355 4.232 1.00 22.11 H new ATOM 0 HB3 ARG A 49 9.912 7.517 3.313 1.00 22.11 H new ATOM 0 HG2 ARG A 49 8.426 7.914 5.207 1.00 54.35 H new ATOM 0 HG3 ARG A 49 9.170 6.618 6.122 1.00 54.35 H new ATOM 0 HD2 ARG A 49 10.641 9.113 5.168 1.00 21.15 H new ATOM 0 HD3 ARG A 49 9.972 8.916 6.776 1.00 21.15 H new ATOM 0 HE ARG A 49 11.521 6.835 6.902 1.00 43.11 H new ATOM 0 HH11 ARG A 49 12.257 9.753 5.109 1.00 21.10 H new ATOM 0 HH12 ARG A 49 14.000 9.494 5.235 1.00 21.10 H new ATOM 0 HH21 ARG A 49 13.703 6.554 7.034 1.00 70.15 H new ATOM 0 HH22 ARG A 49 14.798 7.729 6.297 1.00 70.15 H new ATOM 760 N CYS A 50 9.703 4.039 1.861 1.00 62.33 N ATOM 761 CA CYS A 50 10.092 3.611 0.507 1.00 52.44 C ATOM 762 C CYS A 50 9.358 2.325 0.080 1.00 63.12 C ATOM 763 O CYS A 50 9.983 1.287 -0.155 1.00 64.53 O ATOM 764 CB CYS A 50 11.613 3.398 0.429 1.00 65.20 C ATOM 765 SG CYS A 50 12.591 4.876 0.791 1.00 70.34 S ATOM 0 H CYS A 50 9.775 3.308 2.569 1.00 62.33 H new ATOM 0 HA CYS A 50 9.803 4.405 -0.182 1.00 52.44 H new ATOM 0 HB2 CYS A 50 11.894 2.610 1.128 1.00 65.20 H new ATOM 0 HB3 CYS A 50 11.868 3.044 -0.570 1.00 65.20 H new ATOM 0 HG CYS A 50 13.856 4.592 0.701 1.00 70.34 H new ATOM 771 N PRO A 51 8.013 2.377 -0.058 1.00 31.34 N ATOM 772 CA PRO A 51 7.212 1.203 -0.457 1.00 70.33 C ATOM 773 C PRO A 51 7.535 0.739 -1.886 1.00 34.12 C ATOM 774 O PRO A 51 7.315 -0.420 -2.248 1.00 62.11 O ATOM 775 CB PRO A 51 5.764 1.709 -0.354 1.00 20.25 C ATOM 776 CG PRO A 51 5.865 3.190 -0.487 1.00 5.14 C ATOM 777 CD PRO A 51 7.170 3.573 0.152 1.00 23.35 C ATOM 0 HA PRO A 51 7.412 0.334 0.169 1.00 70.33 H new ATOM 0 HB2 PRO A 51 5.140 1.283 -1.140 1.00 20.25 H new ATOM 0 HB3 PRO A 51 5.314 1.428 0.598 1.00 20.25 H new ATOM 0 HG2 PRO A 51 5.840 3.491 -1.534 1.00 5.14 H new ATOM 0 HG3 PRO A 51 5.028 3.684 0.007 1.00 5.14 H new ATOM 0 HD2 PRO A 51 7.603 4.458 -0.315 1.00 23.35 H new ATOM 0 HD3 PRO A 51 7.049 3.799 1.211 1.00 23.35 H new ATOM 785 N GLN A 52 8.076 1.655 -2.686 1.00 35.23 N ATOM 786 CA GLN A 52 8.486 1.359 -4.064 1.00 50.43 C ATOM 787 C GLN A 52 9.606 0.305 -4.116 1.00 54.10 C ATOM 788 O GLN A 52 9.813 -0.342 -5.143 1.00 60.53 O ATOM 789 CB GLN A 52 8.950 2.650 -4.751 1.00 74.25 C ATOM 790 CG GLN A 52 10.115 3.339 -4.044 1.00 43.54 C ATOM 791 CD GLN A 52 10.522 4.645 -4.706 1.00 32.01 C ATOM 792 OE1 GLN A 52 9.701 5.343 -5.294 1.00 52.31 O ATOM 793 NE2 GLN A 52 11.787 4.991 -4.614 1.00 15.30 N ATOM 0 H GLN A 52 8.244 2.620 -2.403 1.00 35.23 H new ATOM 0 HA GLN A 52 7.624 0.948 -4.589 1.00 50.43 H new ATOM 0 HB2 GLN A 52 9.243 2.420 -5.775 1.00 74.25 H new ATOM 0 HB3 GLN A 52 8.110 3.343 -4.807 1.00 74.25 H new ATOM 0 HG2 GLN A 52 9.840 3.534 -3.007 1.00 43.54 H new ATOM 0 HG3 GLN A 52 10.971 2.665 -4.025 1.00 43.54 H new ATOM 0 HE21 GLN A 52 12.445 4.390 -4.119 1.00 15.30 H new ATOM 0 HE22 GLN A 52 12.110 5.861 -5.038 1.00 15.30 H new ATOM 802 N SER A 53 10.326 0.142 -3.004 1.00 61.01 N ATOM 803 CA SER A 53 11.411 -0.849 -2.913 1.00 75.33 C ATOM 804 C SER A 53 10.887 -2.227 -2.480 1.00 42.30 C ATOM 805 O SER A 53 11.641 -3.199 -2.420 1.00 15.34 O ATOM 806 CB SER A 53 12.487 -0.371 -1.926 1.00 61.10 C ATOM 807 OG SER A 53 13.565 -1.300 -1.829 1.00 75.11 O ATOM 0 H SER A 53 10.180 0.682 -2.151 1.00 61.01 H new ATOM 0 HA SER A 53 11.846 -0.950 -3.907 1.00 75.33 H new ATOM 0 HB2 SER A 53 12.870 0.598 -2.246 1.00 61.10 H new ATOM 0 HB3 SER A 53 12.040 -0.228 -0.942 1.00 61.10 H new ATOM 0 HG SER A 53 13.257 -2.188 -2.106 1.00 75.11 H new ATOM 813 N VAL A 54 9.594 -2.307 -2.177 1.00 52.43 N ATOM 814 CA VAL A 54 8.973 -3.566 -1.748 1.00 14.05 C ATOM 815 C VAL A 54 8.243 -4.263 -2.911 1.00 51.22 C ATOM 816 O VAL A 54 8.504 -5.430 -3.214 1.00 72.04 O ATOM 817 CB VAL A 54 7.972 -3.321 -0.589 1.00 44.45 C ATOM 818 CG1 VAL A 54 7.358 -4.633 -0.109 1.00 4.12 C ATOM 819 CG2 VAL A 54 8.651 -2.582 0.565 1.00 33.54 C ATOM 0 H VAL A 54 8.952 -1.516 -2.219 1.00 52.43 H new ATOM 0 HA VAL A 54 9.777 -4.216 -1.402 1.00 14.05 H new ATOM 0 HB VAL A 54 7.165 -2.693 -0.967 1.00 44.45 H new ATOM 0 HG11 VAL A 54 6.660 -4.432 0.704 1.00 4.12 H new ATOM 0 HG12 VAL A 54 6.828 -5.110 -0.933 1.00 4.12 H new ATOM 0 HG13 VAL A 54 8.147 -5.296 0.246 1.00 4.12 H new ATOM 0 HG21 VAL A 54 7.931 -2.420 1.367 1.00 33.54 H new ATOM 0 HG22 VAL A 54 9.483 -3.178 0.939 1.00 33.54 H new ATOM 0 HG23 VAL A 54 9.023 -1.620 0.212 1.00 33.54 H new ATOM 829 N GLY A 55 7.333 -3.536 -3.557 1.00 12.52 N ATOM 830 CA GLY A 55 6.549 -4.094 -4.658 1.00 74.14 C ATOM 831 C GLY A 55 5.051 -4.076 -4.372 1.00 13.04 C ATOM 832 O GLY A 55 4.467 -3.011 -4.155 1.00 5.01 O ATOM 0 H GLY A 55 7.121 -2.563 -3.338 1.00 12.52 H new ATOM 0 HA2 GLY A 55 6.749 -3.527 -5.567 1.00 74.14 H new ATOM 0 HA3 GLY A 55 6.868 -5.119 -4.845 1.00 74.14 H new ATOM 836 N TRP A 56 4.427 -5.252 -4.371 1.00 31.33 N ATOM 837 CA TRP A 56 2.999 -5.372 -4.054 1.00 43.31 C ATOM 838 C TRP A 56 2.797 -5.638 -2.556 1.00 2.43 C ATOM 839 O TRP A 56 3.148 -6.705 -2.052 1.00 31.11 O ATOM 840 CB TRP A 56 2.351 -6.502 -4.868 1.00 1.13 C ATOM 841 CG TRP A 56 2.474 -6.323 -6.352 1.00 43.44 C ATOM 842 CD1 TRP A 56 2.120 -5.221 -7.073 1.00 12.20 C ATOM 843 CD2 TRP A 56 2.965 -7.283 -7.297 1.00 54.13 C ATOM 844 NE1 TRP A 56 2.379 -5.427 -8.402 1.00 33.42 N ATOM 845 CE2 TRP A 56 2.895 -6.685 -8.568 1.00 14.34 C ATOM 846 CE3 TRP A 56 3.469 -8.583 -7.191 1.00 42.24 C ATOM 847 CZ2 TRP A 56 3.301 -7.345 -9.726 1.00 42.42 C ATOM 848 CZ3 TRP A 56 3.871 -9.238 -8.341 1.00 52.33 C ATOM 849 CH2 TRP A 56 3.789 -8.616 -9.594 1.00 31.13 C ATOM 0 H TRP A 56 4.885 -6.138 -4.586 1.00 31.33 H new ATOM 0 HA TRP A 56 2.521 -4.428 -4.316 1.00 43.31 H new ATOM 0 HB2 TRP A 56 2.809 -7.450 -4.586 1.00 1.13 H new ATOM 0 HB3 TRP A 56 1.295 -6.568 -4.605 1.00 1.13 H new ATOM 0 HD1 TRP A 56 1.697 -4.318 -6.657 1.00 12.20 H new ATOM 0 HE1 TRP A 56 2.214 -4.752 -9.149 1.00 33.42 H new ATOM 0 HE3 TRP A 56 3.543 -9.067 -6.228 1.00 42.24 H new ATOM 0 HZ2 TRP A 56 3.233 -6.870 -10.693 1.00 42.42 H new ATOM 0 HZ3 TRP A 56 4.254 -10.245 -8.272 1.00 52.33 H new ATOM 0 HH2 TRP A 56 4.118 -9.151 -10.473 1.00 31.13 H new ATOM 860 N MET A 57 2.235 -4.664 -1.843 1.00 34.10 N ATOM 861 CA MET A 57 2.007 -4.802 -0.400 1.00 4.34 C ATOM 862 C MET A 57 0.524 -5.083 -0.089 1.00 65.45 C ATOM 863 O MET A 57 -0.363 -4.421 -0.627 1.00 40.33 O ATOM 864 CB MET A 57 2.462 -3.533 0.334 1.00 62.45 C ATOM 865 CG MET A 57 3.912 -3.151 0.056 1.00 43.55 C ATOM 866 SD MET A 57 4.515 -1.846 1.145 1.00 74.13 S ATOM 867 CE MET A 57 3.303 -0.561 0.846 1.00 72.33 C ATOM 0 H MET A 57 1.929 -3.774 -2.235 1.00 34.10 H new ATOM 0 HA MET A 57 2.594 -5.651 -0.051 1.00 4.34 H new ATOM 0 HB2 MET A 57 1.815 -2.705 0.044 1.00 62.45 H new ATOM 0 HB3 MET A 57 2.333 -3.678 1.407 1.00 62.45 H new ATOM 0 HG2 MET A 57 4.543 -4.033 0.170 1.00 43.55 H new ATOM 0 HG3 MET A 57 4.004 -2.824 -0.980 1.00 43.55 H new ATOM 0 HE1 MET A 57 3.601 0.349 1.367 1.00 72.33 H new ATOM 0 HE2 MET A 57 3.240 -0.362 -0.224 1.00 72.33 H new ATOM 0 HE3 MET A 57 2.329 -0.887 1.212 1.00 72.33 H new ATOM 877 N PRO A 58 0.237 -6.078 0.775 1.00 34.43 N ATOM 878 CA PRO A 58 -1.138 -6.389 1.210 1.00 10.41 C ATOM 879 C PRO A 58 -1.747 -5.268 2.072 1.00 25.35 C ATOM 880 O PRO A 58 -1.244 -4.964 3.156 1.00 73.33 O ATOM 881 CB PRO A 58 -0.976 -7.679 2.041 1.00 63.24 C ATOM 882 CG PRO A 58 0.385 -8.198 1.708 1.00 23.43 C ATOM 883 CD PRO A 58 1.216 -6.991 1.388 1.00 70.23 C ATOM 0 HA PRO A 58 -1.815 -6.498 0.362 1.00 10.41 H new ATOM 0 HB2 PRO A 58 -1.068 -7.473 3.107 1.00 63.24 H new ATOM 0 HB3 PRO A 58 -1.747 -8.408 1.789 1.00 63.24 H new ATOM 0 HG2 PRO A 58 0.808 -8.753 2.546 1.00 23.43 H new ATOM 0 HG3 PRO A 58 0.346 -8.882 0.860 1.00 23.43 H new ATOM 0 HD2 PRO A 58 1.666 -6.561 2.282 1.00 70.23 H new ATOM 0 HD3 PRO A 58 2.031 -7.230 0.704 1.00 70.23 H new ATOM 891 N GLY A 59 -2.829 -4.659 1.593 1.00 23.54 N ATOM 892 CA GLY A 59 -3.465 -3.576 2.333 1.00 2.45 C ATOM 893 C GLY A 59 -4.956 -3.437 2.040 1.00 72.50 C ATOM 894 O GLY A 59 -5.481 -4.051 1.108 1.00 51.12 O ATOM 0 H GLY A 59 -3.278 -4.894 0.708 1.00 23.54 H new ATOM 0 HA2 GLY A 59 -3.326 -3.745 3.401 1.00 2.45 H new ATOM 0 HA3 GLY A 59 -2.966 -2.638 2.091 1.00 2.45 H new ATOM 898 N LEU A 60 -5.640 -2.634 2.847 1.00 22.24 N ATOM 899 CA LEU A 60 -7.070 -2.377 2.661 1.00 12.44 C ATOM 900 C LEU A 60 -7.304 -0.915 2.250 1.00 32.43 C ATOM 901 O LEU A 60 -7.040 0.007 3.024 1.00 21.12 O ATOM 902 CB LEU A 60 -7.831 -2.697 3.958 1.00 40.21 C ATOM 903 CG LEU A 60 -9.365 -2.635 3.859 1.00 24.32 C ATOM 904 CD1 LEU A 60 -9.880 -3.644 2.837 1.00 53.11 C ATOM 905 CD2 LEU A 60 -10.007 -2.877 5.223 1.00 25.42 C ATOM 0 H LEU A 60 -5.228 -2.146 3.642 1.00 22.24 H new ATOM 0 HA LEU A 60 -7.443 -3.021 1.864 1.00 12.44 H new ATOM 0 HB2 LEU A 60 -7.546 -3.696 4.289 1.00 40.21 H new ATOM 0 HB3 LEU A 60 -7.506 -2.000 4.731 1.00 40.21 H new ATOM 0 HG LEU A 60 -9.643 -1.635 3.525 1.00 24.32 H new ATOM 0 HD11 LEU A 60 -10.967 -3.584 2.782 1.00 53.11 H new ATOM 0 HD12 LEU A 60 -9.455 -3.420 1.859 1.00 53.11 H new ATOM 0 HD13 LEU A 60 -9.587 -4.650 3.139 1.00 53.11 H new ATOM 0 HD21 LEU A 60 -11.092 -2.828 5.128 1.00 25.42 H new ATOM 0 HD22 LEU A 60 -9.719 -3.862 5.591 1.00 25.42 H new ATOM 0 HD23 LEU A 60 -9.670 -2.114 5.924 1.00 25.42 H new ATOM 917 N ASN A 61 -7.788 -0.706 1.027 1.00 31.01 N ATOM 918 CA ASN A 61 -8.017 0.648 0.507 1.00 2.33 C ATOM 919 C ASN A 61 -9.359 1.209 1.004 1.00 44.23 C ATOM 920 O ASN A 61 -10.415 0.843 0.500 1.00 22.44 O ATOM 921 CB ASN A 61 -7.976 0.635 -1.028 1.00 20.03 C ATOM 922 CG ASN A 61 -8.026 2.030 -1.636 1.00 12.24 C ATOM 923 OD1 ASN A 61 -8.620 2.945 -1.079 1.00 30.33 O ATOM 924 ND2 ASN A 61 -7.412 2.198 -2.788 1.00 74.11 N ATOM 0 H ASN A 61 -8.030 -1.453 0.376 1.00 31.01 H new ATOM 0 HA ASN A 61 -7.224 1.298 0.877 1.00 2.33 H new ATOM 0 HB2 ASN A 61 -7.066 0.133 -1.357 1.00 20.03 H new ATOM 0 HB3 ASN A 61 -8.816 0.051 -1.404 1.00 20.03 H new ATOM 0 HD21 ASN A 61 -7.422 3.111 -3.243 1.00 74.11 H new ATOM 0 HD22 ASN A 61 -6.926 1.415 -3.226 1.00 74.11 H new ATOM 931 N GLU A 62 -9.304 2.120 1.972 1.00 33.55 N ATOM 932 CA GLU A 62 -10.511 2.678 2.597 1.00 25.34 C ATOM 933 C GLU A 62 -11.315 3.603 1.661 1.00 71.41 C ATOM 934 O GLU A 62 -12.339 4.157 2.063 1.00 54.44 O ATOM 935 CB GLU A 62 -10.133 3.421 3.885 1.00 60.04 C ATOM 936 CG GLU A 62 -9.669 2.497 5.007 1.00 23.22 C ATOM 937 CD GLU A 62 -10.796 1.633 5.558 1.00 61.05 C ATOM 938 OE1 GLU A 62 -11.520 2.106 6.457 1.00 45.35 O ATOM 939 OE2 GLU A 62 -10.969 0.484 5.097 1.00 53.40 O ATOM 0 H GLU A 62 -8.432 2.493 2.346 1.00 33.55 H new ATOM 0 HA GLU A 62 -11.164 1.836 2.827 1.00 25.34 H new ATOM 0 HB2 GLU A 62 -9.341 4.136 3.663 1.00 60.04 H new ATOM 0 HB3 GLU A 62 -10.993 3.995 4.230 1.00 60.04 H new ATOM 0 HG2 GLU A 62 -8.871 1.854 4.636 1.00 23.22 H new ATOM 0 HG3 GLU A 62 -9.247 3.095 5.814 1.00 23.22 H new ATOM 946 N ARG A 63 -10.854 3.785 0.427 1.00 42.20 N ATOM 947 CA ARG A 63 -11.641 4.504 -0.582 1.00 73.14 C ATOM 948 C ARG A 63 -12.686 3.573 -1.213 1.00 45.22 C ATOM 949 O ARG A 63 -13.840 3.957 -1.409 1.00 3.52 O ATOM 950 CB ARG A 63 -10.731 5.082 -1.676 1.00 74.32 C ATOM 951 CG ARG A 63 -11.465 5.806 -2.813 1.00 25.03 C ATOM 952 CD ARG A 63 -12.102 7.128 -2.379 1.00 34.32 C ATOM 953 NE ARG A 63 -13.259 6.944 -1.499 1.00 63.12 N ATOM 954 CZ ARG A 63 -14.255 7.784 -1.403 1.00 13.32 C ATOM 955 NH1 ARG A 63 -14.281 8.872 -2.101 1.00 42.32 N ATOM 956 NH2 ARG A 63 -15.225 7.533 -0.593 1.00 72.21 N ATOM 0 H ARG A 63 -9.948 3.450 0.099 1.00 42.20 H new ATOM 0 HA ARG A 63 -12.153 5.327 -0.084 1.00 73.14 H new ATOM 0 HB2 ARG A 63 -10.030 5.778 -1.215 1.00 74.32 H new ATOM 0 HB3 ARG A 63 -10.141 4.271 -2.103 1.00 74.32 H new ATOM 0 HG2 ARG A 63 -10.763 5.998 -3.624 1.00 25.03 H new ATOM 0 HG3 ARG A 63 -12.240 5.151 -3.211 1.00 25.03 H new ATOM 0 HD2 ARG A 63 -11.355 7.734 -1.866 1.00 34.32 H new ATOM 0 HD3 ARG A 63 -12.410 7.684 -3.264 1.00 34.32 H new ATOM 0 HE ARG A 63 -13.289 6.103 -0.922 1.00 63.12 H new ATOM 0 HH11 ARG A 63 -13.515 9.086 -2.740 1.00 42.32 H new ATOM 0 HH12 ARG A 63 -15.067 9.516 -2.013 1.00 42.32 H new ATOM 0 HH21 ARG A 63 -15.213 6.682 -0.031 1.00 72.21 H new ATOM 0 HH22 ARG A 63 -16.005 8.185 -0.514 1.00 72.21 H new ATOM 970 N THR A 64 -12.270 2.349 -1.531 1.00 34.32 N ATOM 971 CA THR A 64 -13.171 1.341 -2.119 1.00 32.52 C ATOM 972 C THR A 64 -13.515 0.233 -1.114 1.00 53.12 C ATOM 973 O THR A 64 -14.349 -0.630 -1.386 1.00 20.23 O ATOM 974 CB THR A 64 -12.535 0.688 -3.368 1.00 43.01 C ATOM 975 OG1 THR A 64 -11.322 0.007 -3.004 1.00 1.34 O ATOM 976 CG2 THR A 64 -12.236 1.736 -4.439 1.00 34.12 C ATOM 0 H THR A 64 -11.313 2.024 -1.394 1.00 34.32 H new ATOM 0 HA THR A 64 -14.083 1.867 -2.400 1.00 32.52 H new ATOM 0 HB THR A 64 -13.246 -0.031 -3.776 1.00 43.01 H new ATOM 0 HG1 THR A 64 -10.927 -0.405 -3.800 1.00 1.34 H new ATOM 0 HG21 THR A 64 -11.789 1.252 -5.307 1.00 34.12 H new ATOM 0 HG22 THR A 64 -13.162 2.228 -4.735 1.00 34.12 H new ATOM 0 HG23 THR A 64 -11.543 2.477 -4.040 1.00 34.12 H new ATOM 984 N ARG A 65 -12.852 0.277 0.046 1.00 23.52 N ATOM 985 CA ARG A 65 -13.003 -0.729 1.113 1.00 1.54 C ATOM 986 C ARG A 65 -12.637 -2.147 0.620 1.00 64.11 C ATOM 987 O ARG A 65 -13.001 -3.151 1.241 1.00 53.31 O ATOM 988 CB ARG A 65 -14.432 -0.706 1.693 1.00 4.01 C ATOM 989 CG ARG A 65 -14.932 0.687 2.085 1.00 43.33 C ATOM 990 CD ARG A 65 -13.982 1.418 3.040 1.00 55.23 C ATOM 991 NE ARG A 65 -13.762 0.705 4.300 1.00 34.14 N ATOM 992 CZ ARG A 65 -14.525 0.823 5.356 1.00 52.30 C ATOM 993 NH1 ARG A 65 -15.567 1.590 5.339 1.00 74.30 N ATOM 994 NH2 ARG A 65 -14.234 0.182 6.438 1.00 45.42 N ATOM 0 H ARG A 65 -12.189 1.017 0.277 1.00 23.52 H new ATOM 0 HA ARG A 65 -12.304 -0.467 1.907 1.00 1.54 H new ATOM 0 HB2 ARG A 65 -15.116 -1.131 0.959 1.00 4.01 H new ATOM 0 HB3 ARG A 65 -14.465 -1.351 2.571 1.00 4.01 H new ATOM 0 HG2 ARG A 65 -15.064 1.286 1.184 1.00 43.33 H new ATOM 0 HG3 ARG A 65 -15.912 0.596 2.555 1.00 43.33 H new ATOM 0 HD2 ARG A 65 -13.023 1.567 2.543 1.00 55.23 H new ATOM 0 HD3 ARG A 65 -14.386 2.407 3.256 1.00 55.23 H new ATOM 0 HE ARG A 65 -12.962 0.075 4.358 1.00 34.14 H new ATOM 0 HH11 ARG A 65 -15.802 2.112 4.495 1.00 74.30 H new ATOM 0 HH12 ARG A 65 -16.153 1.673 6.170 1.00 74.30 H new ATOM 0 HH21 ARG A 65 -13.409 -0.417 6.470 1.00 45.42 H new ATOM 0 HH22 ARG A 65 -14.829 0.274 7.261 1.00 45.42 H new ATOM 1008 N GLN A 66 -11.887 -2.219 -0.483 1.00 40.14 N ATOM 1009 CA GLN A 66 -11.488 -3.503 -1.079 1.00 4.54 C ATOM 1010 C GLN A 66 -10.091 -3.944 -0.606 1.00 64.54 C ATOM 1011 O GLN A 66 -9.203 -3.118 -0.386 1.00 35.24 O ATOM 1012 CB GLN A 66 -11.514 -3.407 -2.612 1.00 22.31 C ATOM 1013 CG GLN A 66 -12.901 -3.146 -3.194 1.00 72.34 C ATOM 1014 CD GLN A 66 -13.878 -4.282 -2.934 1.00 73.33 C ATOM 1015 OE1 GLN A 66 -14.575 -4.308 -1.923 1.00 35.42 O ATOM 1016 NE2 GLN A 66 -13.941 -5.232 -3.844 1.00 73.53 N ATOM 0 H GLN A 66 -11.541 -1.401 -0.985 1.00 40.14 H new ATOM 0 HA GLN A 66 -12.205 -4.255 -0.749 1.00 4.54 H new ATOM 0 HB2 GLN A 66 -10.843 -2.608 -2.927 1.00 22.31 H new ATOM 0 HB3 GLN A 66 -11.124 -4.335 -3.031 1.00 22.31 H new ATOM 0 HG2 GLN A 66 -13.301 -2.226 -2.768 1.00 72.34 H new ATOM 0 HG3 GLN A 66 -12.814 -2.988 -4.269 1.00 72.34 H new ATOM 0 HE21 GLN A 66 -13.350 -5.183 -4.674 1.00 73.53 H new ATOM 0 HE22 GLN A 66 -14.581 -6.016 -3.719 1.00 73.53 H new ATOM 1025 N ARG A 67 -9.910 -5.254 -0.458 1.00 43.31 N ATOM 1026 CA ARG A 67 -8.647 -5.826 0.029 1.00 51.21 C ATOM 1027 C ARG A 67 -7.779 -6.347 -1.130 1.00 4.12 C ATOM 1028 O ARG A 67 -8.294 -6.929 -2.086 1.00 35.32 O ATOM 1029 CB ARG A 67 -8.957 -6.978 0.991 1.00 3.55 C ATOM 1030 CG ARG A 67 -7.736 -7.587 1.670 1.00 63.41 C ATOM 1031 CD ARG A 67 -7.161 -6.675 2.748 1.00 32.13 C ATOM 1032 NE ARG A 67 -8.140 -6.402 3.801 1.00 62.22 N ATOM 1033 CZ ARG A 67 -7.884 -6.449 5.078 1.00 64.30 C ATOM 1034 NH1 ARG A 67 -6.722 -6.827 5.509 1.00 55.54 N ATOM 1035 NH2 ARG A 67 -8.809 -6.145 5.927 1.00 75.43 N ATOM 0 H ARG A 67 -10.626 -5.949 -0.669 1.00 43.31 H new ATOM 0 HA ARG A 67 -8.090 -5.041 0.540 1.00 51.21 H new ATOM 0 HB2 ARG A 67 -9.641 -6.618 1.759 1.00 3.55 H new ATOM 0 HB3 ARG A 67 -9.479 -7.762 0.442 1.00 3.55 H new ATOM 0 HG2 ARG A 67 -8.009 -8.544 2.114 1.00 63.41 H new ATOM 0 HG3 ARG A 67 -6.970 -7.790 0.922 1.00 63.41 H new ATOM 0 HD2 ARG A 67 -6.276 -7.139 3.184 1.00 32.13 H new ATOM 0 HD3 ARG A 67 -6.839 -5.736 2.297 1.00 32.13 H new ATOM 0 HE ARG A 67 -9.088 -6.158 3.516 1.00 62.22 H new ATOM 0 HH11 ARG A 67 -5.994 -7.093 4.846 1.00 55.54 H new ATOM 0 HH12 ARG A 67 -6.535 -6.859 6.511 1.00 55.54 H new ATOM 0 HH21 ARG A 67 -9.734 -5.870 5.597 1.00 75.43 H new ATOM 0 HH22 ARG A 67 -8.614 -6.180 6.928 1.00 75.43 H new ATOM 1049 N GLY A 68 -6.465 -6.143 -1.040 1.00 62.00 N ATOM 1050 CA GLY A 68 -5.563 -6.673 -2.059 1.00 14.42 C ATOM 1051 C GLY A 68 -4.145 -6.119 -1.969 1.00 52.45 C ATOM 1052 O GLY A 68 -3.850 -5.268 -1.127 1.00 32.33 O ATOM 0 H GLY A 68 -6.010 -5.626 -0.288 1.00 62.00 H new ATOM 0 HA2 GLY A 68 -5.526 -7.759 -1.970 1.00 14.42 H new ATOM 0 HA3 GLY A 68 -5.970 -6.448 -3.045 1.00 14.42 H new ATOM 1056 N ASP A 69 -3.266 -6.611 -2.839 1.00 50.34 N ATOM 1057 CA ASP A 69 -1.878 -6.140 -2.906 1.00 23.23 C ATOM 1058 C ASP A 69 -1.755 -4.956 -3.879 1.00 32.11 C ATOM 1059 O ASP A 69 -2.209 -5.032 -5.019 1.00 20.32 O ATOM 1060 CB ASP A 69 -0.960 -7.279 -3.360 1.00 14.13 C ATOM 1061 CG ASP A 69 -1.055 -8.494 -2.456 1.00 54.34 C ATOM 1062 OD1 ASP A 69 -2.004 -9.292 -2.620 1.00 73.42 O ATOM 1063 OD2 ASP A 69 -0.185 -8.668 -1.580 1.00 63.25 O ATOM 0 H ASP A 69 -3.490 -7.342 -3.514 1.00 50.34 H new ATOM 0 HA ASP A 69 -1.578 -5.809 -1.912 1.00 23.23 H new ATOM 0 HB2 ASP A 69 -1.219 -7.567 -4.379 1.00 14.13 H new ATOM 0 HB3 ASP A 69 0.071 -6.925 -3.381 1.00 14.13 H new ATOM 1068 N PHE A 70 -1.146 -3.863 -3.433 1.00 2.20 N ATOM 1069 CA PHE A 70 -0.990 -2.675 -4.286 1.00 35.10 C ATOM 1070 C PHE A 70 0.493 -2.325 -4.516 1.00 51.34 C ATOM 1071 O PHE A 70 1.318 -2.450 -3.606 1.00 11.23 O ATOM 1072 CB PHE A 70 -1.734 -1.476 -3.671 1.00 74.23 C ATOM 1073 CG PHE A 70 -1.221 -1.052 -2.316 1.00 51.21 C ATOM 1074 CD1 PHE A 70 -1.669 -1.677 -1.160 1.00 54.52 C ATOM 1075 CD2 PHE A 70 -0.295 -0.021 -2.196 1.00 1.34 C ATOM 1076 CE1 PHE A 70 -1.205 -1.287 0.081 1.00 41.34 C ATOM 1077 CE2 PHE A 70 0.170 0.370 -0.956 1.00 53.04 C ATOM 1078 CZ PHE A 70 -0.283 -0.262 0.182 1.00 23.32 C ATOM 0 H PHE A 70 -0.753 -3.768 -2.496 1.00 2.20 H new ATOM 0 HA PHE A 70 -1.426 -2.907 -5.257 1.00 35.10 H new ATOM 0 HB2 PHE A 70 -1.662 -0.630 -4.354 1.00 74.23 H new ATOM 0 HB3 PHE A 70 -2.791 -1.726 -3.584 1.00 74.23 H new ATOM 0 HD1 PHE A 70 -2.389 -2.478 -1.232 1.00 54.52 H new ATOM 0 HD2 PHE A 70 0.064 0.479 -3.083 1.00 1.34 H new ATOM 0 HE1 PHE A 70 -1.562 -1.782 0.972 1.00 41.34 H new ATOM 0 HE2 PHE A 70 0.889 1.172 -0.878 1.00 53.04 H new ATOM 0 HZ PHE A 70 0.082 0.043 1.152 1.00 23.32 H new ATOM 1088 N PRO A 71 0.852 -1.892 -5.745 1.00 15.01 N ATOM 1089 CA PRO A 71 2.227 -1.462 -6.070 1.00 2.33 C ATOM 1090 C PRO A 71 2.624 -0.158 -5.350 1.00 0.00 C ATOM 1091 O PRO A 71 2.088 0.917 -5.634 1.00 62.30 O ATOM 1092 CB PRO A 71 2.188 -1.259 -7.593 1.00 21.11 C ATOM 1093 CG PRO A 71 0.756 -0.986 -7.903 1.00 53.04 C ATOM 1094 CD PRO A 71 -0.044 -1.798 -6.916 1.00 23.55 C ATOM 0 HA PRO A 71 2.970 -2.192 -5.747 1.00 2.33 H new ATOM 0 HB2 PRO A 71 2.824 -0.428 -7.898 1.00 21.11 H new ATOM 0 HB3 PRO A 71 2.545 -2.144 -8.120 1.00 21.11 H new ATOM 0 HG2 PRO A 71 0.532 0.076 -7.807 1.00 53.04 H new ATOM 0 HG3 PRO A 71 0.517 -1.271 -8.928 1.00 53.04 H new ATOM 0 HD2 PRO A 71 -0.985 -1.310 -6.664 1.00 23.55 H new ATOM 0 HD3 PRO A 71 -0.292 -2.783 -7.313 1.00 23.55 H new ATOM 1102 N GLY A 72 3.584 -0.256 -4.434 1.00 70.32 N ATOM 1103 CA GLY A 72 3.970 0.888 -3.608 1.00 0.25 C ATOM 1104 C GLY A 72 4.796 1.959 -4.329 1.00 55.41 C ATOM 1105 O GLY A 72 5.512 2.725 -3.684 1.00 13.04 O ATOM 0 H GLY A 72 4.107 -1.111 -4.244 1.00 70.32 H new ATOM 0 HA2 GLY A 72 3.067 1.353 -3.213 1.00 0.25 H new ATOM 0 HA3 GLY A 72 4.541 0.524 -2.754 1.00 0.25 H new ATOM 1109 N THR A 73 4.699 2.030 -5.655 1.00 32.31 N ATOM 1110 CA THR A 73 5.427 3.051 -6.426 1.00 41.41 C ATOM 1111 C THR A 73 4.562 4.295 -6.673 1.00 45.13 C ATOM 1112 O THR A 73 5.075 5.370 -6.986 1.00 33.01 O ATOM 1113 CB THR A 73 5.905 2.502 -7.792 1.00 1.23 C ATOM 1114 OG1 THR A 73 4.779 2.166 -8.612 1.00 1.33 O ATOM 1115 CG2 THR A 73 6.785 1.270 -7.613 1.00 22.44 C ATOM 0 H THR A 73 4.129 1.400 -6.220 1.00 32.31 H new ATOM 0 HA THR A 73 6.294 3.326 -5.825 1.00 41.41 H new ATOM 0 HB THR A 73 6.492 3.282 -8.277 1.00 1.23 H new ATOM 0 HG1 THR A 73 5.093 1.822 -9.474 1.00 1.33 H new ATOM 0 HG21 THR A 73 7.106 0.907 -8.589 1.00 22.44 H new ATOM 0 HG22 THR A 73 7.660 1.531 -7.018 1.00 22.44 H new ATOM 0 HG23 THR A 73 6.219 0.490 -7.103 1.00 22.44 H new ATOM 1123 N TYR A 74 3.244 4.148 -6.529 1.00 43.42 N ATOM 1124 CA TYR A 74 2.307 5.255 -6.775 1.00 24.04 C ATOM 1125 C TYR A 74 1.704 5.798 -5.468 1.00 55.35 C ATOM 1126 O TYR A 74 0.792 6.626 -5.494 1.00 10.22 O ATOM 1127 CB TYR A 74 1.185 4.783 -7.713 1.00 71.45 C ATOM 1128 CG TYR A 74 1.699 4.135 -8.984 1.00 31.13 C ATOM 1129 CD1 TYR A 74 2.261 4.901 -10.000 1.00 51.51 C ATOM 1130 CD2 TYR A 74 1.642 2.754 -9.161 1.00 24.44 C ATOM 1131 CE1 TYR A 74 2.746 4.314 -11.154 1.00 61.30 C ATOM 1132 CE2 TYR A 74 2.128 2.161 -10.311 1.00 15.15 C ATOM 1133 CZ TYR A 74 2.677 2.944 -11.304 1.00 34.20 C ATOM 1134 OH TYR A 74 3.171 2.355 -12.448 1.00 54.44 O ATOM 0 H TYR A 74 2.798 3.276 -6.244 1.00 43.42 H new ATOM 0 HA TYR A 74 2.864 6.067 -7.242 1.00 24.04 H new ATOM 0 HB2 TYR A 74 0.551 4.073 -7.182 1.00 71.45 H new ATOM 0 HB3 TYR A 74 0.558 5.635 -7.976 1.00 71.45 H new ATOM 0 HD1 TYR A 74 2.320 5.973 -9.885 1.00 51.51 H new ATOM 0 HD2 TYR A 74 1.211 2.137 -8.387 1.00 24.44 H new ATOM 0 HE1 TYR A 74 3.177 4.924 -11.934 1.00 61.30 H new ATOM 0 HE2 TYR A 74 2.078 1.089 -10.431 1.00 15.15 H new ATOM 0 HH TYR A 74 2.462 1.834 -12.880 1.00 54.44 H new ATOM 1144 N VAL A 75 2.229 5.347 -4.326 1.00 34.23 N ATOM 1145 CA VAL A 75 1.689 5.742 -3.015 1.00 43.34 C ATOM 1146 C VAL A 75 2.747 6.407 -2.114 1.00 34.05 C ATOM 1147 O VAL A 75 3.944 6.129 -2.220 1.00 44.23 O ATOM 1148 CB VAL A 75 1.092 4.525 -2.257 1.00 51.45 C ATOM 1149 CG1 VAL A 75 -0.012 3.854 -3.075 1.00 31.10 C ATOM 1150 CG2 VAL A 75 2.187 3.520 -1.891 1.00 32.01 C ATOM 0 H VAL A 75 3.024 4.710 -4.278 1.00 34.23 H new ATOM 0 HA VAL A 75 0.905 6.469 -3.228 1.00 43.34 H new ATOM 0 HB VAL A 75 0.647 4.893 -1.333 1.00 51.45 H new ATOM 0 HG11 VAL A 75 -0.412 3.005 -2.520 1.00 31.10 H new ATOM 0 HG12 VAL A 75 -0.810 4.571 -3.266 1.00 31.10 H new ATOM 0 HG13 VAL A 75 0.398 3.507 -4.023 1.00 31.10 H new ATOM 0 HG21 VAL A 75 1.744 2.677 -1.361 1.00 32.01 H new ATOM 0 HG22 VAL A 75 2.672 3.163 -2.800 1.00 32.01 H new ATOM 0 HG23 VAL A 75 2.925 4.003 -1.251 1.00 32.01 H new ATOM 1160 N GLU A 76 2.286 7.294 -1.232 1.00 60.21 N ATOM 1161 CA GLU A 76 3.139 7.906 -0.203 1.00 2.35 C ATOM 1162 C GLU A 76 2.761 7.395 1.200 1.00 15.13 C ATOM 1163 O GLU A 76 1.662 6.876 1.410 1.00 22.24 O ATOM 1164 CB GLU A 76 3.037 9.441 -0.256 1.00 53.24 C ATOM 1165 CG GLU A 76 1.608 9.969 -0.180 1.00 62.44 C ATOM 1166 CD GLU A 76 1.538 11.487 -0.066 1.00 13.10 C ATOM 1167 OE1 GLU A 76 2.090 12.188 -0.940 1.00 1.00 O ATOM 1168 OE2 GLU A 76 0.916 11.988 0.895 1.00 25.02 O ATOM 0 H GLU A 76 1.316 7.610 -1.207 1.00 60.21 H new ATOM 0 HA GLU A 76 4.170 7.618 -0.407 1.00 2.35 H new ATOM 0 HB2 GLU A 76 3.614 9.862 0.567 1.00 53.24 H new ATOM 0 HB3 GLU A 76 3.496 9.794 -1.180 1.00 53.24 H new ATOM 0 HG2 GLU A 76 1.062 9.652 -1.068 1.00 62.44 H new ATOM 0 HG3 GLU A 76 1.107 9.522 0.679 1.00 62.44 H new ATOM 1175 N PHE A 77 3.676 7.544 2.156 1.00 73.21 N ATOM 1176 CA PHE A 77 3.469 7.048 3.523 1.00 21.54 C ATOM 1177 C PHE A 77 2.871 8.137 4.439 1.00 53.42 C ATOM 1178 O PHE A 77 3.501 9.163 4.701 1.00 10.50 O ATOM 1179 CB PHE A 77 4.804 6.536 4.093 1.00 55.54 C ATOM 1180 CG PHE A 77 4.706 5.913 5.467 1.00 54.44 C ATOM 1181 CD1 PHE A 77 3.771 4.919 5.734 1.00 0.41 C ATOM 1182 CD2 PHE A 77 5.557 6.313 6.489 1.00 24.22 C ATOM 1183 CE1 PHE A 77 3.691 4.340 6.985 1.00 70.35 C ATOM 1184 CE2 PHE A 77 5.480 5.733 7.742 1.00 45.11 C ATOM 1185 CZ PHE A 77 4.546 4.748 7.990 1.00 1.34 C ATOM 0 H PHE A 77 4.574 8.006 2.012 1.00 73.21 H new ATOM 0 HA PHE A 77 2.752 6.228 3.485 1.00 21.54 H new ATOM 0 HB2 PHE A 77 5.219 5.801 3.404 1.00 55.54 H new ATOM 0 HB3 PHE A 77 5.508 7.367 4.135 1.00 55.54 H new ATOM 0 HD1 PHE A 77 3.099 4.596 4.953 1.00 0.41 H new ATOM 0 HD2 PHE A 77 6.288 7.086 6.303 1.00 24.22 H new ATOM 0 HE1 PHE A 77 2.960 3.568 7.177 1.00 70.35 H new ATOM 0 HE2 PHE A 77 6.151 6.051 8.526 1.00 45.11 H new ATOM 0 HZ PHE A 77 4.484 4.297 8.969 1.00 1.34 H new ATOM 1195 N LEU A 78 1.648 7.908 4.917 1.00 34.34 N ATOM 1196 CA LEU A 78 0.970 8.863 5.803 1.00 0.23 C ATOM 1197 C LEU A 78 1.381 8.661 7.272 1.00 23.25 C ATOM 1198 O LEU A 78 1.640 9.627 7.992 1.00 72.51 O ATOM 1199 CB LEU A 78 -0.552 8.734 5.658 1.00 34.31 C ATOM 1200 CG LEU A 78 -1.103 8.970 4.239 1.00 33.02 C ATOM 1201 CD1 LEU A 78 -2.617 8.779 4.210 1.00 42.33 C ATOM 1202 CD2 LEU A 78 -0.719 10.362 3.736 1.00 42.43 C ATOM 0 H LEU A 78 1.104 7.071 4.708 1.00 34.34 H new ATOM 0 HA LEU A 78 1.275 9.866 5.505 1.00 0.23 H new ATOM 0 HB2 LEU A 78 -0.848 7.736 5.983 1.00 34.31 H new ATOM 0 HB3 LEU A 78 -1.026 9.444 6.336 1.00 34.31 H new ATOM 0 HG LEU A 78 -0.657 8.233 3.571 1.00 33.02 H new ATOM 0 HD11 LEU A 78 -2.986 8.950 3.199 1.00 42.33 H new ATOM 0 HD12 LEU A 78 -2.861 7.762 4.518 1.00 42.33 H new ATOM 0 HD13 LEU A 78 -3.086 9.488 4.892 1.00 42.33 H new ATOM 0 HD21 LEU A 78 -1.118 10.509 2.732 1.00 42.43 H new ATOM 0 HD22 LEU A 78 -1.132 11.117 4.405 1.00 42.43 H new ATOM 0 HD23 LEU A 78 0.367 10.453 3.712 1.00 42.43 H new ATOM 1214 N GLY A 79 1.430 7.402 7.711 1.00 51.44 N ATOM 1215 CA GLY A 79 1.861 7.092 9.077 1.00 2.32 C ATOM 1216 C GLY A 79 0.869 6.221 9.850 1.00 33.52 C ATOM 1217 O GLY A 79 -0.188 5.861 9.324 1.00 52.42 O ATOM 0 H GLY A 79 1.180 6.588 7.149 1.00 51.44 H new ATOM 0 HA2 GLY A 79 2.824 6.584 9.038 1.00 2.32 H new ATOM 0 HA3 GLY A 79 2.014 8.024 9.621 1.00 2.32 H new ATOM 1221 N PRO A 80 1.200 5.849 11.107 1.00 15.31 N ATOM 1222 CA PRO A 80 0.307 5.051 11.974 1.00 44.44 C ATOM 1223 C PRO A 80 -0.984 5.804 12.357 1.00 35.31 C ATOM 1224 O PRO A 80 -1.074 7.025 12.216 1.00 1.12 O ATOM 1225 CB PRO A 80 1.164 4.770 13.227 1.00 54.01 C ATOM 1226 CG PRO A 80 2.568 5.081 12.823 1.00 20.31 C ATOM 1227 CD PRO A 80 2.470 6.163 11.781 1.00 52.21 C ATOM 0 HA PRO A 80 -0.037 4.148 11.469 1.00 44.44 H new ATOM 0 HB2 PRO A 80 0.850 5.391 14.066 1.00 54.01 H new ATOM 0 HB3 PRO A 80 1.067 3.732 13.545 1.00 54.01 H new ATOM 0 HG2 PRO A 80 3.155 5.415 13.678 1.00 20.31 H new ATOM 0 HG3 PRO A 80 3.064 4.197 12.422 1.00 20.31 H new ATOM 0 HD2 PRO A 80 2.456 7.157 12.229 1.00 52.21 H new ATOM 0 HD3 PRO A 80 3.312 6.137 11.090 1.00 52.21 H new ATOM 1235 N LEU A 81 -1.981 5.070 12.852 1.00 22.21 N ATOM 1236 CA LEU A 81 -3.277 5.665 13.219 1.00 62.32 C ATOM 1237 C LEU A 81 -3.372 5.911 14.733 1.00 54.35 C ATOM 1238 O LEU A 81 -2.752 5.202 15.529 1.00 63.10 O ATOM 1239 CB LEU A 81 -4.440 4.763 12.762 1.00 42.20 C ATOM 1240 CG LEU A 81 -4.550 4.528 11.241 1.00 71.42 C ATOM 1241 CD1 LEU A 81 -3.430 3.623 10.730 1.00 35.22 C ATOM 1242 CD2 LEU A 81 -5.914 3.948 10.880 1.00 42.42 C ATOM 0 H LEU A 81 -1.921 4.064 13.010 1.00 22.21 H new ATOM 0 HA LEU A 81 -3.351 6.626 12.710 1.00 62.32 H new ATOM 0 HB2 LEU A 81 -4.339 3.795 13.254 1.00 42.20 H new ATOM 0 HB3 LEU A 81 -5.374 5.202 13.111 1.00 42.20 H new ATOM 0 HG LEU A 81 -4.444 5.496 10.752 1.00 71.42 H new ATOM 0 HD11 LEU A 81 -3.540 3.480 9.655 1.00 35.22 H new ATOM 0 HD12 LEU A 81 -2.465 4.086 10.938 1.00 35.22 H new ATOM 0 HD13 LEU A 81 -3.485 2.657 11.232 1.00 35.22 H new ATOM 0 HD21 LEU A 81 -5.969 3.791 9.803 1.00 42.42 H new ATOM 0 HD22 LEU A 81 -6.052 2.996 11.393 1.00 42.42 H new ATOM 0 HD23 LEU A 81 -6.697 4.642 11.186 1.00 42.42 H new ATOM 1254 N GLU A 82 -4.152 6.917 15.127 1.00 52.44 N ATOM 1255 CA GLU A 82 -4.323 7.261 16.550 1.00 10.15 C ATOM 1256 C GLU A 82 -5.665 6.737 17.116 1.00 73.13 C ATOM 1257 O GLU A 82 -6.722 7.362 16.878 1.00 39.00 O ATOM 1258 CB GLU A 82 -4.184 8.788 16.780 1.00 42.15 C ATOM 1259 CG GLU A 82 -5.103 9.677 15.931 1.00 53.12 C ATOM 1260 CD GLU A 82 -4.643 9.824 14.488 1.00 12.02 C ATOM 1261 OE1 GLU A 82 -3.760 10.667 14.225 1.00 73.45 O ATOM 1262 OE2 GLU A 82 -5.165 9.110 13.608 1.00 24.12 O ATOM 0 H GLU A 82 -4.678 7.511 14.486 1.00 52.44 H new ATOM 0 HA GLU A 82 -3.523 6.761 17.096 1.00 10.15 H new ATOM 0 HB2 GLU A 82 -4.378 8.997 17.832 1.00 42.15 H new ATOM 0 HB3 GLU A 82 -3.151 9.074 16.583 1.00 42.15 H new ATOM 0 HG2 GLU A 82 -6.110 9.260 15.942 1.00 53.12 H new ATOM 0 HG3 GLU A 82 -5.162 10.665 16.387 1.00 53.12 H new TER 1269 GLU A 82