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 Set 1.1: A 61 ASN : amide:sc= 0.0738 K(o=0.51,f=-8.6!) USER MOD Set 1.2: A 64 THR OG1 : rot -70:sc= 0.434 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.227 (180deg=-0.919) USER MOD Single : A 1 MET N :NH3+ -122:sc=2.75e-05 (180deg=-0.0549) USER MOD Single : A 8 GLN : amide:sc= -0.917 K(o=-0.92,f=-5.6!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00174 USER MOD Single : A 39 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.18) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0523 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -110:sc= -0.538 (180deg=-2.6) USER MOD Single : A 66 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.6) USER MOD Single : A 73 THR OG1 : rot -25:sc= 0.527 USER MOD Single : A 74 TYR OH : rot -111:sc= 0.0342 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.969 1.640 22.056 1.00 51.34 N ATOM 2 CA MET A 1 -9.481 1.699 22.106 1.00 5.44 C ATOM 3 C MET A 1 -8.873 1.658 20.699 1.00 51.34 C ATOM 4 O MET A 1 -9.386 0.982 19.806 1.00 71.20 O ATOM 5 CB MET A 1 -8.922 0.538 22.943 1.00 11.41 C ATOM 6 CG MET A 1 -9.318 0.587 24.411 1.00 34.24 C ATOM 7 SD MET A 1 -8.587 -0.756 25.369 1.00 45.35 S ATOM 8 CE MET A 1 -6.838 -0.438 25.130 1.00 33.41 C ATOM 0 H1 MET A 1 -11.366 2.479 22.525 1.00 51.34 H new ATOM 0 H2 MET A 1 -11.282 1.617 21.065 1.00 51.34 H new ATOM 0 H3 MET A 1 -11.299 0.783 22.543 1.00 51.34 H new ATOM 0 HA MET A 1 -9.207 2.645 22.574 1.00 5.44 H new ATOM 0 HB2 MET A 1 -9.267 -0.404 22.515 1.00 11.41 H new ATOM 0 HB3 MET A 1 -7.834 0.542 22.870 1.00 11.41 H new ATOM 0 HG2 MET A 1 -9.009 1.542 24.836 1.00 34.24 H new ATOM 0 HG3 MET A 1 -10.404 0.538 24.493 1.00 34.24 H new ATOM 0 HE1 MET A 1 -6.271 -0.890 25.944 1.00 33.41 H new ATOM 0 HE2 MET A 1 -6.516 -0.868 24.182 1.00 33.41 H new ATOM 0 HE3 MET A 1 -6.662 0.638 25.119 1.00 33.41 H new ATOM 20 N ALA A 2 -7.775 2.383 20.514 1.00 35.23 N ATOM 21 CA ALA A 2 -7.086 2.443 19.221 1.00 44.03 C ATOM 22 C ALA A 2 -5.645 1.914 19.331 1.00 71.43 C ATOM 23 O ALA A 2 -5.301 1.211 20.286 1.00 44.42 O ATOM 24 CB ALA A 2 -7.107 3.877 18.704 1.00 1.42 C ATOM 0 H ALA A 2 -7.337 2.942 21.246 1.00 35.23 H new ATOM 0 HA ALA A 2 -7.609 1.801 18.512 1.00 44.03 H new ATOM 0 HB1 ALA A 2 -6.595 3.925 17.743 1.00 1.42 H new ATOM 0 HB2 ALA A 2 -8.139 4.205 18.582 1.00 1.42 H new ATOM 0 HB3 ALA A 2 -6.601 4.528 19.417 1.00 1.42 H new ATOM 30 N GLY A 3 -4.804 2.249 18.354 1.00 12.44 N ATOM 31 CA GLY A 3 -3.428 1.757 18.337 1.00 21.11 C ATOM 32 C GLY A 3 -2.933 1.440 16.927 1.00 3.30 C ATOM 33 O GLY A 3 -3.739 1.216 16.019 1.00 71.20 O ATOM 0 H GLY A 3 -5.049 2.854 17.570 1.00 12.44 H new ATOM 0 HA2 GLY A 3 -2.774 2.503 18.788 1.00 21.11 H new ATOM 0 HA3 GLY A 3 -3.360 0.860 18.952 1.00 21.11 H new ATOM 37 N PRO A 4 -1.605 1.410 16.709 1.00 12.43 N ATOM 38 CA PRO A 4 -1.030 1.157 15.379 1.00 63.43 C ATOM 39 C PRO A 4 -1.265 -0.279 14.879 1.00 2.45 C ATOM 40 O PRO A 4 -0.438 -1.165 15.089 1.00 14.04 O ATOM 41 CB PRO A 4 0.478 1.429 15.567 1.00 5.15 C ATOM 42 CG PRO A 4 0.601 2.113 16.891 1.00 63.50 C ATOM 43 CD PRO A 4 -0.560 1.629 17.719 1.00 24.30 C ATOM 0 HA PRO A 4 -1.497 1.788 14.623 1.00 63.43 H new ATOM 0 HB2 PRO A 4 1.049 0.501 15.551 1.00 5.15 H new ATOM 0 HB3 PRO A 4 0.866 2.056 14.764 1.00 5.15 H new ATOM 0 HG2 PRO A 4 1.550 1.869 17.369 1.00 63.50 H new ATOM 0 HG3 PRO A 4 0.572 3.196 16.774 1.00 63.50 H new ATOM 0 HD2 PRO A 4 -0.319 0.713 18.258 1.00 24.30 H new ATOM 0 HD3 PRO A 4 -0.863 2.366 18.462 1.00 24.30 H new ATOM 51 N GLU A 5 -2.409 -0.506 14.231 1.00 41.24 N ATOM 52 CA GLU A 5 -2.691 -1.801 13.588 1.00 61.25 C ATOM 53 C GLU A 5 -1.754 -2.021 12.387 1.00 23.13 C ATOM 54 O GLU A 5 -1.589 -3.138 11.894 1.00 51.22 O ATOM 55 CB GLU A 5 -4.158 -1.865 13.125 1.00 4.15 C ATOM 56 CG GLU A 5 -5.175 -1.611 14.236 1.00 74.23 C ATOM 57 CD GLU A 5 -6.617 -1.792 13.774 1.00 51.43 C ATOM 58 OE1 GLU A 5 -7.111 -0.949 12.994 1.00 40.23 O ATOM 59 OE2 GLU A 5 -7.271 -2.768 14.205 1.00 2.30 O ATOM 0 H GLU A 5 -3.155 0.183 14.135 1.00 41.24 H new ATOM 0 HA GLU A 5 -2.518 -2.590 14.320 1.00 61.25 H new ATOM 0 HB2 GLU A 5 -4.310 -1.131 12.333 1.00 4.15 H new ATOM 0 HB3 GLU A 5 -4.348 -2.847 12.691 1.00 4.15 H new ATOM 0 HG2 GLU A 5 -4.977 -2.290 15.065 1.00 74.23 H new ATOM 0 HG3 GLU A 5 -5.045 -0.598 14.616 1.00 74.23 H new ATOM 66 N GLY A 6 -1.143 -0.932 11.930 1.00 0.30 N ATOM 67 CA GLY A 6 -0.211 -0.984 10.816 1.00 33.01 C ATOM 68 C GLY A 6 0.277 0.399 10.409 1.00 12.42 C ATOM 69 O GLY A 6 0.510 1.258 11.266 1.00 52.22 O ATOM 0 H GLY A 6 -1.280 0.001 12.319 1.00 0.30 H new ATOM 0 HA2 GLY A 6 0.644 -1.603 11.088 1.00 33.01 H new ATOM 0 HA3 GLY A 6 -0.693 -1.463 9.964 1.00 33.01 H new ATOM 73 N PHE A 7 0.415 0.627 9.107 1.00 53.21 N ATOM 74 CA PHE A 7 0.866 1.925 8.585 1.00 62.53 C ATOM 75 C PHE A 7 -0.057 2.438 7.468 1.00 65.23 C ATOM 76 O PHE A 7 -0.581 1.663 6.666 1.00 43.02 O ATOM 77 CB PHE A 7 2.313 1.830 8.082 1.00 30.42 C ATOM 78 CG PHE A 7 3.321 1.604 9.184 1.00 24.21 C ATOM 79 CD1 PHE A 7 3.910 2.679 9.836 1.00 41.24 C ATOM 80 CD2 PHE A 7 3.672 0.320 9.574 1.00 73.23 C ATOM 81 CE1 PHE A 7 4.826 2.478 10.850 1.00 1.01 C ATOM 82 CE2 PHE A 7 4.590 0.113 10.586 1.00 31.30 C ATOM 83 CZ PHE A 7 5.167 1.193 11.224 1.00 4.42 C ATOM 0 H PHE A 7 0.222 -0.069 8.387 1.00 53.21 H new ATOM 0 HA PHE A 7 0.824 2.642 9.405 1.00 62.53 H new ATOM 0 HB2 PHE A 7 2.386 1.016 7.361 1.00 30.42 H new ATOM 0 HB3 PHE A 7 2.566 2.748 7.552 1.00 30.42 H new ATOM 0 HD1 PHE A 7 3.648 3.686 9.546 1.00 41.24 H new ATOM 0 HD2 PHE A 7 3.222 -0.529 9.080 1.00 73.23 H new ATOM 0 HE1 PHE A 7 5.275 3.324 11.349 1.00 1.01 H new ATOM 0 HE2 PHE A 7 4.856 -0.892 10.878 1.00 31.30 H new ATOM 0 HZ PHE A 7 5.885 1.033 12.015 1.00 4.42 H new ATOM 93 N GLN A 8 -0.250 3.754 7.437 1.00 3.25 N ATOM 94 CA GLN A 8 -1.117 4.401 6.447 1.00 42.23 C ATOM 95 C GLN A 8 -0.339 4.857 5.210 1.00 12.43 C ATOM 96 O GLN A 8 0.699 5.521 5.311 1.00 30.41 O ATOM 97 CB GLN A 8 -1.824 5.608 7.078 1.00 10.53 C ATOM 98 CG GLN A 8 -2.916 5.229 8.069 1.00 10.54 C ATOM 99 CD GLN A 8 -4.216 4.816 7.402 1.00 41.44 C ATOM 100 OE1 GLN A 8 -4.227 4.291 6.298 1.00 3.41 O ATOM 101 NE2 GLN A 8 -5.325 5.048 8.073 1.00 71.11 N ATOM 0 H GLN A 8 0.186 4.402 8.093 1.00 3.25 H new ATOM 0 HA GLN A 8 -1.851 3.662 6.127 1.00 42.23 H new ATOM 0 HB2 GLN A 8 -1.084 6.227 7.586 1.00 10.53 H new ATOM 0 HB3 GLN A 8 -2.260 6.217 6.286 1.00 10.53 H new ATOM 0 HG2 GLN A 8 -2.561 4.410 8.695 1.00 10.54 H new ATOM 0 HG3 GLN A 8 -3.107 6.075 8.729 1.00 10.54 H new ATOM 0 HE21 GLN A 8 -5.282 5.488 8.992 1.00 71.11 H new ATOM 0 HE22 GLN A 8 -6.227 4.788 7.673 1.00 71.11 H new ATOM 110 N TYR A 9 -0.864 4.506 4.047 1.00 71.24 N ATOM 111 CA TYR A 9 -0.308 4.941 2.761 1.00 73.23 C ATOM 112 C TYR A 9 -1.384 5.661 1.939 1.00 12.22 C ATOM 113 O TYR A 9 -2.574 5.418 2.119 1.00 43.11 O ATOM 114 CB TYR A 9 0.243 3.740 1.975 1.00 62.45 C ATOM 115 CG TYR A 9 1.383 3.021 2.677 1.00 34.31 C ATOM 116 CD1 TYR A 9 1.132 2.000 3.589 1.00 13.43 C ATOM 117 CD2 TYR A 9 2.711 3.363 2.427 1.00 73.10 C ATOM 118 CE1 TYR A 9 2.165 1.345 4.231 1.00 73.10 C ATOM 119 CE2 TYR A 9 3.749 2.710 3.066 1.00 32.24 C ATOM 120 CZ TYR A 9 3.470 1.702 3.965 1.00 20.35 C ATOM 121 OH TYR A 9 4.500 1.047 4.603 1.00 53.01 O ATOM 0 H TYR A 9 -1.688 3.911 3.960 1.00 71.24 H new ATOM 0 HA TYR A 9 0.512 5.632 2.955 1.00 73.23 H new ATOM 0 HB2 TYR A 9 -0.566 3.032 1.797 1.00 62.45 H new ATOM 0 HB3 TYR A 9 0.588 4.083 0.999 1.00 62.45 H new ATOM 0 HD1 TYR A 9 0.112 1.715 3.798 1.00 13.43 H new ATOM 0 HD2 TYR A 9 2.933 4.151 1.723 1.00 73.10 H new ATOM 0 HE1 TYR A 9 1.951 0.557 4.938 1.00 73.10 H new ATOM 0 HE2 TYR A 9 4.773 2.988 2.862 1.00 32.24 H new ATOM 0 HH TYR A 9 5.357 1.416 4.305 1.00 53.01 H new ATOM 131 N ARG A 10 -0.971 6.553 1.045 1.00 51.10 N ATOM 132 CA ARG A 10 -1.926 7.322 0.232 1.00 3.31 C ATOM 133 C ARG A 10 -1.612 7.218 -1.267 1.00 15.11 C ATOM 134 O ARG A 10 -0.531 7.602 -1.712 1.00 71.34 O ATOM 135 CB ARG A 10 -1.934 8.792 0.681 1.00 15.34 C ATOM 136 CG ARG A 10 -2.851 9.698 -0.139 1.00 71.31 C ATOM 137 CD ARG A 10 -2.974 11.083 0.490 1.00 15.53 C ATOM 138 NE ARG A 10 -3.619 11.025 1.805 1.00 43.22 N ATOM 139 CZ ARG A 10 -3.433 11.896 2.762 1.00 41.33 C ATOM 140 NH1 ARG A 10 -2.655 12.916 2.592 1.00 45.11 N ATOM 141 NH2 ARG A 10 -4.039 11.749 3.893 1.00 31.54 N ATOM 0 H ARG A 10 0.009 6.765 0.861 1.00 51.10 H new ATOM 0 HA ARG A 10 -2.917 6.895 0.386 1.00 3.31 H new ATOM 0 HB2 ARG A 10 -2.239 8.838 1.727 1.00 15.34 H new ATOM 0 HB3 ARG A 10 -0.917 9.181 0.628 1.00 15.34 H new ATOM 0 HG2 ARG A 10 -2.461 9.791 -1.153 1.00 71.31 H new ATOM 0 HG3 ARG A 10 -3.839 9.243 -0.217 1.00 71.31 H new ATOM 0 HD2 ARG A 10 -1.983 11.527 0.590 1.00 15.53 H new ATOM 0 HD3 ARG A 10 -3.550 11.733 -0.169 1.00 15.53 H new ATOM 0 HE ARG A 10 -4.258 10.251 1.986 1.00 43.22 H new ATOM 0 HH11 ARG A 10 -2.176 13.049 1.701 1.00 45.11 H new ATOM 0 HH12 ARG A 10 -2.521 13.587 3.349 1.00 45.11 H new ATOM 0 HH21 ARG A 10 -4.662 10.954 4.038 1.00 31.54 H new ATOM 0 HH22 ARG A 10 -3.895 12.428 4.641 1.00 31.54 H new ATOM 155 N ALA A 11 -2.567 6.693 -2.036 1.00 53.24 N ATOM 156 CA ALA A 11 -2.411 6.559 -3.491 1.00 33.25 C ATOM 157 C ALA A 11 -2.480 7.929 -4.179 1.00 71.32 C ATOM 158 O ALA A 11 -3.452 8.662 -4.018 1.00 31.35 O ATOM 159 CB ALA A 11 -3.480 5.625 -4.056 1.00 52.11 C ATOM 0 H ALA A 11 -3.459 6.352 -1.678 1.00 53.24 H new ATOM 0 HA ALA A 11 -1.429 6.129 -3.690 1.00 33.25 H new ATOM 0 HB1 ALA A 11 -3.352 5.536 -5.135 1.00 52.11 H new ATOM 0 HB2 ALA A 11 -3.384 4.641 -3.596 1.00 52.11 H new ATOM 0 HB3 ALA A 11 -4.468 6.031 -3.841 1.00 52.11 H new ATOM 165 N LEU A 12 -1.447 8.271 -4.944 1.00 73.21 N ATOM 166 CA LEU A 12 -1.363 9.590 -5.587 1.00 43.31 C ATOM 167 C LEU A 12 -1.905 9.577 -7.028 1.00 53.14 C ATOM 168 O LEU A 12 -2.269 10.622 -7.571 1.00 33.24 O ATOM 169 CB LEU A 12 0.094 10.075 -5.581 1.00 4.22 C ATOM 170 CG LEU A 12 0.736 10.218 -4.188 1.00 74.12 C ATOM 171 CD1 LEU A 12 2.184 10.691 -4.302 1.00 1.32 C ATOM 172 CD2 LEU A 12 -0.076 11.172 -3.309 1.00 11.12 C ATOM 0 H LEU A 12 -0.655 7.658 -5.137 1.00 73.21 H new ATOM 0 HA LEU A 12 -1.989 10.274 -5.014 1.00 43.31 H new ATOM 0 HB2 LEU A 12 0.693 9.380 -6.169 1.00 4.22 H new ATOM 0 HB3 LEU A 12 0.140 11.041 -6.085 1.00 4.22 H new ATOM 0 HG LEU A 12 0.735 9.236 -3.715 1.00 74.12 H new ATOM 0 HD11 LEU A 12 2.616 10.784 -3.306 1.00 1.32 H new ATOM 0 HD12 LEU A 12 2.759 9.967 -4.880 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.212 11.659 -4.802 1.00 1.32 H new ATOM 0 HD21 LEU A 12 0.397 11.257 -2.331 1.00 11.12 H new ATOM 0 HD22 LEU A 12 -0.116 12.155 -3.779 1.00 11.12 H new ATOM 0 HD23 LEU A 12 -1.088 10.785 -3.190 1.00 11.12 H new ATOM 184 N TYR A 13 -1.956 8.397 -7.646 1.00 3.21 N ATOM 185 CA TYR A 13 -2.399 8.272 -9.047 1.00 70.02 C ATOM 186 C TYR A 13 -3.419 7.136 -9.233 1.00 35.21 C ATOM 187 O TYR A 13 -3.367 6.124 -8.531 1.00 10.33 O ATOM 188 CB TYR A 13 -1.189 8.032 -9.966 1.00 15.34 C ATOM 189 CG TYR A 13 -0.250 9.218 -10.055 1.00 53.12 C ATOM 190 CD1 TYR A 13 -0.476 10.235 -10.976 1.00 73.42 C ATOM 191 CD2 TYR A 13 0.857 9.324 -9.220 1.00 33.11 C ATOM 192 CE1 TYR A 13 0.369 11.319 -11.061 1.00 20.24 C ATOM 193 CE2 TYR A 13 1.708 10.409 -9.301 1.00 62.43 C ATOM 194 CZ TYR A 13 1.459 11.401 -10.224 1.00 24.13 C ATOM 195 OH TYR A 13 2.300 12.487 -10.308 1.00 25.44 O ATOM 0 H TYR A 13 -1.698 7.513 -7.206 1.00 3.21 H new ATOM 0 HA TYR A 13 -2.889 9.208 -9.315 1.00 70.02 H new ATOM 0 HB2 TYR A 13 -0.634 7.166 -9.604 1.00 15.34 H new ATOM 0 HB3 TYR A 13 -1.546 7.786 -10.966 1.00 15.34 H new ATOM 0 HD1 TYR A 13 -1.329 10.174 -11.636 1.00 73.42 H new ATOM 0 HD2 TYR A 13 1.054 8.546 -8.497 1.00 33.11 H new ATOM 0 HE1 TYR A 13 0.178 12.101 -11.781 1.00 20.24 H new ATOM 0 HE2 TYR A 13 2.563 10.479 -8.645 1.00 62.43 H new ATOM 0 HH TYR A 13 3.020 12.395 -9.649 1.00 25.44 H new ATOM 205 N PRO A 14 -4.371 7.295 -10.182 1.00 34.33 N ATOM 206 CA PRO A 14 -5.333 6.235 -10.524 1.00 2.21 C ATOM 207 C PRO A 14 -4.669 5.069 -11.275 1.00 3.32 C ATOM 208 O PRO A 14 -4.115 5.248 -12.364 1.00 72.40 O ATOM 209 CB PRO A 14 -6.357 6.953 -11.416 1.00 22.42 C ATOM 210 CG PRO A 14 -5.605 8.097 -12.014 1.00 60.10 C ATOM 211 CD PRO A 14 -4.590 8.519 -10.982 1.00 24.12 C ATOM 0 HA PRO A 14 -5.776 5.780 -9.638 1.00 2.21 H new ATOM 0 HB2 PRO A 14 -6.745 6.288 -12.188 1.00 22.42 H new ATOM 0 HB3 PRO A 14 -7.212 7.301 -10.836 1.00 22.42 H new ATOM 0 HG2 PRO A 14 -5.116 7.799 -12.942 1.00 60.10 H new ATOM 0 HG3 PRO A 14 -6.277 8.920 -12.258 1.00 60.10 H new ATOM 0 HD2 PRO A 14 -3.666 8.864 -11.447 1.00 24.12 H new ATOM 0 HD3 PRO A 14 -4.962 9.338 -10.366 1.00 24.12 H new ATOM 219 N PHE A 15 -4.736 3.876 -10.694 1.00 11.23 N ATOM 220 CA PHE A 15 -4.055 2.703 -11.249 1.00 22.53 C ATOM 221 C PHE A 15 -4.956 1.457 -11.209 1.00 31.10 C ATOM 222 O PHE A 15 -5.390 1.024 -10.141 1.00 24.45 O ATOM 223 CB PHE A 15 -2.757 2.450 -10.467 1.00 21.52 C ATOM 224 CG PHE A 15 -1.949 1.277 -10.964 1.00 1.24 C ATOM 225 CD1 PHE A 15 -1.304 1.332 -12.192 1.00 44.13 C ATOM 226 CD2 PHE A 15 -1.823 0.123 -10.200 1.00 73.14 C ATOM 227 CE1 PHE A 15 -0.556 0.262 -12.646 1.00 70.14 C ATOM 228 CE2 PHE A 15 -1.078 -0.948 -10.651 1.00 31.52 C ATOM 229 CZ PHE A 15 -0.443 -0.878 -11.876 1.00 41.25 C ATOM 0 H PHE A 15 -5.256 3.692 -9.836 1.00 11.23 H new ATOM 0 HA PHE A 15 -3.820 2.902 -12.294 1.00 22.53 H new ATOM 0 HB2 PHE A 15 -2.139 3.347 -10.513 1.00 21.52 H new ATOM 0 HB3 PHE A 15 -3.005 2.287 -9.418 1.00 21.52 H new ATOM 0 HD1 PHE A 15 -1.388 2.221 -12.800 1.00 44.13 H new ATOM 0 HD2 PHE A 15 -2.315 0.063 -9.240 1.00 73.14 H new ATOM 0 HE1 PHE A 15 -0.060 0.318 -13.604 1.00 70.14 H new ATOM 0 HE2 PHE A 15 -0.992 -1.839 -10.047 1.00 31.52 H new ATOM 0 HZ PHE A 15 0.141 -1.714 -12.231 1.00 41.25 H new ATOM 239 N ARG A 16 -5.232 0.886 -12.381 1.00 72.10 N ATOM 240 CA ARG A 16 -6.028 -0.345 -12.482 1.00 51.20 C ATOM 241 C ARG A 16 -5.253 -1.442 -13.227 1.00 41.43 C ATOM 242 O ARG A 16 -4.416 -1.157 -14.081 1.00 33.42 O ATOM 243 CB ARG A 16 -7.352 -0.078 -13.215 1.00 15.52 C ATOM 244 CG ARG A 16 -8.303 -1.279 -13.214 1.00 24.54 C ATOM 245 CD ARG A 16 -9.420 -1.139 -14.246 1.00 15.11 C ATOM 246 NE ARG A 16 -10.189 0.091 -14.077 1.00 21.30 N ATOM 247 CZ ARG A 16 -11.491 0.145 -14.030 1.00 10.23 C ATOM 248 NH1 ARG A 16 -12.199 -0.941 -14.068 1.00 61.35 N ATOM 249 NH2 ARG A 16 -12.076 1.291 -13.928 1.00 44.12 N ATOM 0 H ARG A 16 -4.917 1.255 -13.278 1.00 72.10 H new ATOM 0 HA ARG A 16 -6.238 -0.683 -11.467 1.00 51.20 H new ATOM 0 HB2 ARG A 16 -7.851 0.771 -12.749 1.00 15.52 H new ATOM 0 HB3 ARG A 16 -7.137 0.205 -14.246 1.00 15.52 H new ATOM 0 HG2 ARG A 16 -7.736 -2.188 -13.417 1.00 24.54 H new ATOM 0 HG3 ARG A 16 -8.741 -1.391 -12.222 1.00 24.54 H new ATOM 0 HD2 ARG A 16 -8.989 -1.159 -15.247 1.00 15.11 H new ATOM 0 HD3 ARG A 16 -10.090 -1.995 -14.170 1.00 15.11 H new ATOM 0 HE ARG A 16 -9.673 0.967 -13.990 1.00 21.30 H new ATOM 0 HH11 ARG A 16 -11.738 -1.848 -14.135 1.00 61.35 H new ATOM 0 HH12 ARG A 16 -13.217 -0.888 -14.031 1.00 61.35 H new ATOM 0 HH21 ARG A 16 -11.520 2.145 -13.885 1.00 44.12 H new ATOM 0 HH22 ARG A 16 -13.094 1.342 -13.891 1.00 44.12 H new ATOM 263 N ARG A 17 -5.548 -2.698 -12.906 1.00 60.25 N ATOM 264 CA ARG A 17 -4.931 -3.846 -13.578 1.00 71.21 C ATOM 265 C ARG A 17 -5.988 -4.893 -13.945 1.00 23.51 C ATOM 266 O ARG A 17 -6.927 -5.130 -13.188 1.00 43.13 O ATOM 267 CB ARG A 17 -3.848 -4.459 -12.680 1.00 34.23 C ATOM 268 CG ARG A 17 -2.564 -3.630 -12.623 1.00 23.22 C ATOM 269 CD ARG A 17 -1.628 -3.948 -13.785 1.00 64.44 C ATOM 270 NE ARG A 17 -1.124 -5.320 -13.714 1.00 53.02 N ATOM 271 CZ ARG A 17 -0.481 -5.921 -14.681 1.00 23.42 C ATOM 272 NH1 ARG A 17 -0.231 -5.302 -15.789 1.00 25.30 N ATOM 273 NH2 ARG A 17 -0.077 -7.140 -14.537 1.00 55.52 N ATOM 0 H ARG A 17 -6.216 -2.952 -12.178 1.00 60.25 H new ATOM 0 HA ARG A 17 -4.466 -3.502 -14.502 1.00 71.21 H new ATOM 0 HB2 ARG A 17 -4.244 -4.571 -11.671 1.00 34.23 H new ATOM 0 HB3 ARG A 17 -3.610 -5.459 -13.042 1.00 34.23 H new ATOM 0 HG2 ARG A 17 -2.816 -2.570 -12.640 1.00 23.22 H new ATOM 0 HG3 ARG A 17 -2.050 -3.821 -11.681 1.00 23.22 H new ATOM 0 HD2 ARG A 17 -2.156 -3.802 -14.728 1.00 64.44 H new ATOM 0 HD3 ARG A 17 -0.790 -3.251 -13.778 1.00 64.44 H new ATOM 0 HE ARG A 17 -1.285 -5.842 -12.853 1.00 53.02 H new ATOM 0 HH11 ARG A 17 -0.536 -4.337 -15.914 1.00 25.30 H new ATOM 0 HH12 ARG A 17 0.271 -5.779 -16.538 1.00 25.30 H new ATOM 0 HH21 ARG A 17 -0.259 -7.638 -13.666 1.00 55.52 H new ATOM 0 HH22 ARG A 17 0.424 -7.604 -15.295 1.00 55.52 H new ATOM 287 N GLU A 18 -5.829 -5.520 -15.108 1.00 33.25 N ATOM 288 CA GLU A 18 -6.823 -6.475 -15.610 1.00 20.22 C ATOM 289 C GLU A 18 -6.813 -7.786 -14.795 1.00 32.23 C ATOM 290 O GLU A 18 -7.744 -8.588 -14.873 1.00 1.12 O ATOM 291 CB GLU A 18 -6.562 -6.765 -17.098 1.00 43.44 C ATOM 292 CG GLU A 18 -7.787 -7.265 -17.858 1.00 25.33 C ATOM 293 CD GLU A 18 -8.909 -6.234 -17.892 1.00 64.40 C ATOM 294 OE1 GLU A 18 -8.794 -5.242 -18.647 1.00 62.21 O ATOM 295 OE2 GLU A 18 -9.903 -6.403 -17.152 1.00 54.03 O ATOM 0 H GLU A 18 -5.025 -5.387 -15.721 1.00 33.25 H new ATOM 0 HA GLU A 18 -7.811 -6.028 -15.498 1.00 20.22 H new ATOM 0 HB2 GLU A 18 -6.197 -5.856 -17.576 1.00 43.44 H new ATOM 0 HB3 GLU A 18 -5.769 -7.508 -17.179 1.00 43.44 H new ATOM 0 HG2 GLU A 18 -7.500 -7.519 -18.878 1.00 25.33 H new ATOM 0 HG3 GLU A 18 -8.152 -8.180 -17.392 1.00 25.33 H new ATOM 302 N ARG A 19 -5.752 -7.997 -14.015 1.00 65.13 N ATOM 303 CA ARG A 19 -5.619 -9.196 -13.173 1.00 25.41 C ATOM 304 C ARG A 19 -5.734 -8.829 -11.680 1.00 62.30 C ATOM 305 O ARG A 19 -5.470 -7.688 -11.297 1.00 25.01 O ATOM 306 CB ARG A 19 -4.265 -9.897 -13.418 1.00 41.43 C ATOM 307 CG ARG A 19 -4.009 -10.372 -14.852 1.00 21.41 C ATOM 308 CD ARG A 19 -3.723 -9.215 -15.804 1.00 44.20 C ATOM 309 NE ARG A 19 -3.072 -9.659 -17.036 1.00 13.21 N ATOM 310 CZ ARG A 19 -3.659 -9.732 -18.200 1.00 75.44 C ATOM 311 NH1 ARG A 19 -4.930 -9.514 -18.322 1.00 65.25 N ATOM 312 NH2 ARG A 19 -2.972 -10.055 -19.243 1.00 33.15 N ATOM 0 H ARG A 19 -4.966 -7.351 -13.946 1.00 65.13 H new ATOM 0 HA ARG A 19 -6.427 -9.876 -13.442 1.00 25.41 H new ATOM 0 HB2 ARG A 19 -3.466 -9.212 -13.134 1.00 41.43 H new ATOM 0 HB3 ARG A 19 -4.198 -10.758 -12.753 1.00 41.43 H new ATOM 0 HG2 ARG A 19 -3.165 -11.062 -14.858 1.00 21.41 H new ATOM 0 HG3 ARG A 19 -4.877 -10.927 -15.209 1.00 21.41 H new ATOM 0 HD2 ARG A 19 -4.657 -8.711 -16.051 1.00 44.20 H new ATOM 0 HD3 ARG A 19 -3.088 -8.484 -15.303 1.00 44.20 H new ATOM 0 HE ARG A 19 -2.090 -9.931 -16.982 1.00 13.21 H new ATOM 0 HH11 ARG A 19 -5.489 -9.281 -17.501 1.00 65.25 H new ATOM 0 HH12 ARG A 19 -5.372 -9.575 -19.239 1.00 65.25 H new ATOM 0 HH21 ARG A 19 -1.975 -10.252 -19.156 1.00 33.15 H new ATOM 0 HH22 ARG A 19 -3.426 -10.113 -20.155 1.00 33.15 H new ATOM 326 N PRO A 20 -6.099 -9.801 -10.812 1.00 0.13 N ATOM 327 CA PRO A 20 -6.187 -9.584 -9.348 1.00 71.52 C ATOM 328 C PRO A 20 -4.808 -9.417 -8.673 1.00 15.52 C ATOM 329 O PRO A 20 -4.705 -9.369 -7.443 1.00 15.43 O ATOM 330 CB PRO A 20 -6.890 -10.858 -8.850 1.00 74.35 C ATOM 331 CG PRO A 20 -6.528 -11.898 -9.854 1.00 13.20 C ATOM 332 CD PRO A 20 -6.471 -11.185 -11.179 1.00 62.21 C ATOM 0 HA PRO A 20 -6.714 -8.661 -9.107 1.00 71.52 H new ATOM 0 HB2 PRO A 20 -6.551 -11.134 -7.852 1.00 74.35 H new ATOM 0 HB3 PRO A 20 -7.970 -10.720 -8.793 1.00 74.35 H new ATOM 0 HG2 PRO A 20 -5.568 -12.356 -9.614 1.00 13.20 H new ATOM 0 HG3 PRO A 20 -7.267 -12.699 -9.872 1.00 13.20 H new ATOM 0 HD2 PRO A 20 -5.735 -11.635 -11.845 1.00 62.21 H new ATOM 0 HD3 PRO A 20 -7.431 -11.219 -11.695 1.00 62.21 H new ATOM 340 N GLU A 21 -3.750 -9.362 -9.484 1.00 52.21 N ATOM 341 CA GLU A 21 -2.386 -9.132 -8.990 1.00 20.00 C ATOM 342 C GLU A 21 -2.310 -7.848 -8.154 1.00 34.22 C ATOM 343 O GLU A 21 -1.832 -7.855 -7.018 1.00 1.33 O ATOM 344 CB GLU A 21 -1.413 -9.015 -10.171 1.00 31.04 C ATOM 345 CG GLU A 21 -1.442 -10.202 -11.126 1.00 53.22 C ATOM 346 CD GLU A 21 -0.583 -9.968 -12.360 1.00 52.40 C ATOM 347 OE1 GLU A 21 -1.087 -9.375 -13.339 1.00 10.15 O ATOM 348 OE2 GLU A 21 0.599 -10.364 -12.356 1.00 72.25 O ATOM 0 H GLU A 21 -3.811 -9.475 -10.496 1.00 52.21 H new ATOM 0 HA GLU A 21 -2.112 -9.979 -8.362 1.00 20.00 H new ATOM 0 HB2 GLU A 21 -1.645 -8.108 -10.730 1.00 31.04 H new ATOM 0 HB3 GLU A 21 -0.401 -8.900 -9.783 1.00 31.04 H new ATOM 0 HG2 GLU A 21 -1.092 -11.093 -10.606 1.00 53.22 H new ATOM 0 HG3 GLU A 21 -2.470 -10.395 -11.432 1.00 53.22 H new ATOM 355 N ASP A 22 -2.789 -6.757 -8.736 1.00 14.02 N ATOM 356 CA ASP A 22 -2.746 -5.439 -8.101 1.00 23.21 C ATOM 357 C ASP A 22 -4.117 -5.051 -7.514 1.00 44.23 C ATOM 358 O ASP A 22 -5.056 -5.852 -7.499 1.00 41.20 O ATOM 359 CB ASP A 22 -2.308 -4.396 -9.136 1.00 54.21 C ATOM 360 CG ASP A 22 -1.021 -4.784 -9.852 1.00 32.31 C ATOM 361 OD1 ASP A 22 -1.068 -5.693 -10.714 1.00 5.35 O ATOM 362 OD2 ASP A 22 0.034 -4.180 -9.568 1.00 43.15 O ATOM 0 H ASP A 22 -3.219 -6.756 -9.661 1.00 14.02 H new ATOM 0 HA ASP A 22 -2.031 -5.475 -7.279 1.00 23.21 H new ATOM 0 HB2 ASP A 22 -3.102 -4.263 -9.871 1.00 54.21 H new ATOM 0 HB3 ASP A 22 -2.168 -3.435 -8.641 1.00 54.21 H new ATOM 367 N LEU A 23 -4.224 -3.819 -7.028 1.00 44.01 N ATOM 368 CA LEU A 23 -5.475 -3.304 -6.460 1.00 52.51 C ATOM 369 C LEU A 23 -5.788 -1.909 -7.028 1.00 74.24 C ATOM 370 O LEU A 23 -4.877 -1.119 -7.279 1.00 2.21 O ATOM 371 CB LEU A 23 -5.355 -3.250 -4.930 1.00 21.33 C ATOM 372 CG LEU A 23 -6.641 -2.893 -4.163 1.00 1.13 C ATOM 373 CD1 LEU A 23 -7.763 -3.879 -4.487 1.00 10.01 C ATOM 374 CD2 LEU A 23 -6.372 -2.860 -2.658 1.00 50.34 C ATOM 0 H LEU A 23 -3.455 -3.150 -7.014 1.00 44.01 H new ATOM 0 HA LEU A 23 -6.294 -3.970 -6.730 1.00 52.51 H new ATOM 0 HB2 LEU A 23 -5.004 -4.220 -4.579 1.00 21.33 H new ATOM 0 HB3 LEU A 23 -4.587 -2.521 -4.671 1.00 21.33 H new ATOM 0 HG LEU A 23 -6.962 -1.901 -4.481 1.00 1.13 H new ATOM 0 HD11 LEU A 23 -8.660 -3.604 -3.932 1.00 10.01 H new ATOM 0 HD12 LEU A 23 -7.974 -3.851 -5.556 1.00 10.01 H new ATOM 0 HD13 LEU A 23 -7.456 -4.886 -4.204 1.00 10.01 H new ATOM 0 HD21 LEU A 23 -7.291 -2.606 -2.130 1.00 50.34 H new ATOM 0 HD22 LEU A 23 -6.023 -3.839 -2.329 1.00 50.34 H new ATOM 0 HD23 LEU A 23 -5.610 -2.111 -2.441 1.00 50.34 H new ATOM 386 N GLU A 24 -7.074 -1.612 -7.234 1.00 74.02 N ATOM 387 CA GLU A 24 -7.488 -0.337 -7.839 1.00 2.45 C ATOM 388 C GLU A 24 -7.115 0.868 -6.958 1.00 34.45 C ATOM 389 O GLU A 24 -7.649 1.045 -5.861 1.00 51.15 O ATOM 390 CB GLU A 24 -9.000 -0.325 -8.106 1.00 64.41 C ATOM 391 CG GLU A 24 -9.482 -1.441 -9.028 1.00 75.24 C ATOM 392 CD GLU A 24 -10.953 -1.299 -9.392 1.00 23.32 C ATOM 393 OE1 GLU A 24 -11.812 -1.486 -8.506 1.00 23.31 O ATOM 394 OE2 GLU A 24 -11.260 -0.969 -10.559 1.00 51.12 O ATOM 0 H GLU A 24 -7.846 -2.233 -6.993 1.00 74.02 H new ATOM 0 HA GLU A 24 -6.951 -0.248 -8.783 1.00 2.45 H new ATOM 0 HB2 GLU A 24 -9.526 -0.403 -7.155 1.00 64.41 H new ATOM 0 HB3 GLU A 24 -9.273 0.635 -8.543 1.00 64.41 H new ATOM 0 HG2 GLU A 24 -8.883 -1.440 -9.939 1.00 75.24 H new ATOM 0 HG3 GLU A 24 -9.322 -2.404 -8.543 1.00 75.24 H new ATOM 401 N LEU A 25 -6.195 1.693 -7.449 1.00 25.40 N ATOM 402 CA LEU A 25 -5.756 2.893 -6.729 1.00 4.14 C ATOM 403 C LEU A 25 -6.383 4.163 -7.328 1.00 63.21 C ATOM 404 O LEU A 25 -6.496 4.294 -8.546 1.00 71.55 O ATOM 405 CB LEU A 25 -4.224 2.994 -6.772 1.00 52.12 C ATOM 406 CG LEU A 25 -3.471 1.758 -6.252 1.00 65.22 C ATOM 407 CD1 LEU A 25 -1.962 1.981 -6.279 1.00 24.41 C ATOM 408 CD2 LEU A 25 -3.942 1.395 -4.847 1.00 34.35 C ATOM 0 H LEU A 25 -5.734 1.554 -8.348 1.00 25.40 H new ATOM 0 HA LEU A 25 -6.087 2.809 -5.694 1.00 4.14 H new ATOM 0 HB2 LEU A 25 -3.917 3.180 -7.801 1.00 52.12 H new ATOM 0 HB3 LEU A 25 -3.916 3.860 -6.186 1.00 52.12 H new ATOM 0 HG LEU A 25 -3.695 0.922 -6.915 1.00 65.22 H new ATOM 0 HD11 LEU A 25 -1.456 1.091 -5.906 1.00 24.41 H new ATOM 0 HD12 LEU A 25 -1.642 2.179 -7.302 1.00 24.41 H new ATOM 0 HD13 LEU A 25 -1.709 2.833 -5.648 1.00 24.41 H new ATOM 0 HD21 LEU A 25 -3.398 0.518 -4.496 1.00 34.35 H new ATOM 0 HD22 LEU A 25 -3.756 2.231 -4.173 1.00 34.35 H new ATOM 0 HD23 LEU A 25 -5.010 1.176 -4.866 1.00 34.35 H new ATOM 420 N LEU A 26 -6.808 5.086 -6.464 1.00 54.33 N ATOM 421 CA LEU A 26 -7.392 6.368 -6.898 1.00 53.40 C ATOM 422 C LEU A 26 -6.604 7.559 -6.313 1.00 51.01 C ATOM 423 O LEU A 26 -6.031 7.456 -5.227 1.00 45.12 O ATOM 424 CB LEU A 26 -8.879 6.460 -6.482 1.00 71.32 C ATOM 425 CG LEU A 26 -9.896 5.777 -7.426 1.00 34.41 C ATOM 426 CD1 LEU A 26 -9.823 6.373 -8.832 1.00 1.32 C ATOM 427 CD2 LEU A 26 -9.689 4.264 -7.475 1.00 34.44 C ATOM 0 H LEU A 26 -6.761 4.973 -5.451 1.00 54.33 H new ATOM 0 HA LEU A 26 -7.329 6.412 -7.985 1.00 53.40 H new ATOM 0 HB2 LEU A 26 -8.985 6.022 -5.490 1.00 71.32 H new ATOM 0 HB3 LEU A 26 -9.146 7.513 -6.395 1.00 71.32 H new ATOM 0 HG LEU A 26 -10.891 5.965 -7.022 1.00 34.41 H new ATOM 0 HD11 LEU A 26 -10.548 5.875 -9.476 1.00 1.32 H new ATOM 0 HD12 LEU A 26 -10.048 7.439 -8.788 1.00 1.32 H new ATOM 0 HD13 LEU A 26 -8.821 6.230 -9.236 1.00 1.32 H new ATOM 0 HD21 LEU A 26 -10.421 3.818 -8.148 1.00 34.44 H new ATOM 0 HD22 LEU A 26 -8.684 4.046 -7.836 1.00 34.44 H new ATOM 0 HD23 LEU A 26 -9.814 3.847 -6.476 1.00 34.44 H new ATOM 439 N PRO A 27 -6.575 8.713 -7.020 1.00 71.51 N ATOM 440 CA PRO A 27 -5.811 9.900 -6.580 1.00 41.12 C ATOM 441 C PRO A 27 -6.278 10.450 -5.218 1.00 5.11 C ATOM 442 O PRO A 27 -7.422 10.880 -5.059 1.00 34.24 O ATOM 443 CB PRO A 27 -6.057 10.928 -7.700 1.00 33.41 C ATOM 444 CG PRO A 27 -7.296 10.460 -8.387 1.00 13.41 C ATOM 445 CD PRO A 27 -7.275 8.959 -8.294 1.00 61.24 C ATOM 0 HA PRO A 27 -4.758 9.662 -6.428 1.00 41.12 H new ATOM 0 HB2 PRO A 27 -6.186 11.931 -7.294 1.00 33.41 H new ATOM 0 HB3 PRO A 27 -5.214 10.969 -8.390 1.00 33.41 H new ATOM 0 HG2 PRO A 27 -8.186 10.869 -7.909 1.00 13.41 H new ATOM 0 HG3 PRO A 27 -7.314 10.787 -9.427 1.00 13.41 H new ATOM 0 HD2 PRO A 27 -8.282 8.541 -8.288 1.00 61.24 H new ATOM 0 HD3 PRO A 27 -6.749 8.510 -9.136 1.00 61.24 H new ATOM 453 N GLY A 28 -5.376 10.432 -4.241 1.00 13.02 N ATOM 454 CA GLY A 28 -5.696 10.906 -2.903 1.00 71.01 C ATOM 455 C GLY A 28 -6.544 9.922 -2.100 1.00 52.43 C ATOM 456 O GLY A 28 -7.328 10.331 -1.244 1.00 0.42 O ATOM 0 H GLY A 28 -4.420 10.094 -4.353 1.00 13.02 H new ATOM 0 HA2 GLY A 28 -4.769 11.101 -2.363 1.00 71.01 H new ATOM 0 HA3 GLY A 28 -6.227 11.855 -2.979 1.00 71.01 H new ATOM 460 N ASP A 29 -6.394 8.625 -2.372 1.00 54.12 N ATOM 461 CA ASP A 29 -7.145 7.594 -1.641 1.00 0.32 C ATOM 462 C ASP A 29 -6.304 7.001 -0.496 1.00 62.21 C ATOM 463 O ASP A 29 -5.072 7.069 -0.515 1.00 31.51 O ATOM 464 CB ASP A 29 -7.605 6.485 -2.593 1.00 65.42 C ATOM 465 CG ASP A 29 -8.736 5.669 -1.996 1.00 45.13 C ATOM 466 OD1 ASP A 29 -9.854 6.219 -1.871 1.00 71.24 O ATOM 467 OD2 ASP A 29 -8.515 4.495 -1.641 1.00 50.13 O ATOM 0 H ASP A 29 -5.765 8.261 -3.088 1.00 54.12 H new ATOM 0 HA ASP A 29 -8.025 8.068 -1.205 1.00 0.32 H new ATOM 0 HB2 ASP A 29 -7.932 6.926 -3.535 1.00 65.42 H new ATOM 0 HB3 ASP A 29 -6.765 5.830 -2.822 1.00 65.42 H new ATOM 472 N VAL A 30 -6.974 6.404 0.491 1.00 33.13 N ATOM 473 CA VAL A 30 -6.302 5.902 1.699 1.00 54.23 C ATOM 474 C VAL A 30 -6.107 4.373 1.667 1.00 31.04 C ATOM 475 O VAL A 30 -7.029 3.621 1.358 1.00 23.34 O ATOM 476 CB VAL A 30 -7.103 6.283 2.971 1.00 41.32 C ATOM 477 CG1 VAL A 30 -6.361 5.862 4.241 1.00 43.14 C ATOM 478 CG2 VAL A 30 -7.407 7.778 2.988 1.00 61.55 C ATOM 0 H VAL A 30 -7.983 6.254 0.481 1.00 33.13 H new ATOM 0 HA VAL A 30 -5.319 6.372 1.724 1.00 54.23 H new ATOM 0 HB VAL A 30 -8.049 5.742 2.946 1.00 41.32 H new ATOM 0 HG11 VAL A 30 -6.948 6.143 5.115 1.00 43.14 H new ATOM 0 HG12 VAL A 30 -6.213 4.782 4.235 1.00 43.14 H new ATOM 0 HG13 VAL A 30 -5.393 6.361 4.279 1.00 43.14 H new ATOM 0 HG21 VAL A 30 -7.970 8.025 3.888 1.00 61.55 H new ATOM 0 HG22 VAL A 30 -6.473 8.339 2.979 1.00 61.55 H new ATOM 0 HG23 VAL A 30 -7.996 8.039 2.109 1.00 61.55 H new ATOM 488 N LEU A 31 -4.894 3.927 1.989 1.00 72.25 N ATOM 489 CA LEU A 31 -4.565 2.496 2.031 1.00 35.20 C ATOM 490 C LEU A 31 -4.057 2.088 3.426 1.00 44.43 C ATOM 491 O LEU A 31 -2.966 2.483 3.841 1.00 63.13 O ATOM 492 CB LEU A 31 -3.500 2.144 0.975 1.00 3.51 C ATOM 493 CG LEU A 31 -3.926 2.305 -0.498 1.00 64.43 C ATOM 494 CD1 LEU A 31 -4.009 3.775 -0.901 1.00 3.32 C ATOM 495 CD2 LEU A 31 -2.967 1.558 -1.416 1.00 32.42 C ATOM 0 H LEU A 31 -4.114 4.539 2.227 1.00 72.25 H new ATOM 0 HA LEU A 31 -5.479 1.945 1.811 1.00 35.20 H new ATOM 0 HB2 LEU A 31 -2.624 2.769 1.149 1.00 3.51 H new ATOM 0 HB3 LEU A 31 -3.190 1.111 1.132 1.00 3.51 H new ATOM 0 HG LEU A 31 -4.922 1.874 -0.602 1.00 64.43 H new ATOM 0 HD11 LEU A 31 -4.312 3.849 -1.945 1.00 3.32 H new ATOM 0 HD12 LEU A 31 -4.741 4.283 -0.274 1.00 3.32 H new ATOM 0 HD13 LEU A 31 -3.033 4.243 -0.772 1.00 3.32 H new ATOM 0 HD21 LEU A 31 -3.283 1.683 -2.452 1.00 32.42 H new ATOM 0 HD22 LEU A 31 -1.960 1.958 -1.293 1.00 32.42 H new ATOM 0 HD23 LEU A 31 -2.970 0.498 -1.161 1.00 32.42 H new ATOM 507 N VAL A 32 -4.848 1.292 4.139 1.00 0.35 N ATOM 508 CA VAL A 32 -4.493 0.852 5.493 1.00 31.33 C ATOM 509 C VAL A 32 -3.803 -0.525 5.469 1.00 40.14 C ATOM 510 O VAL A 32 -4.450 -1.553 5.252 1.00 43.24 O ATOM 511 CB VAL A 32 -5.746 0.774 6.403 1.00 74.55 C ATOM 512 CG1 VAL A 32 -5.344 0.543 7.859 1.00 25.44 C ATOM 513 CG2 VAL A 32 -6.601 2.034 6.264 1.00 44.41 C ATOM 0 H VAL A 32 -5.743 0.935 3.804 1.00 0.35 H new ATOM 0 HA VAL A 32 -3.802 1.592 5.897 1.00 31.33 H new ATOM 0 HB VAL A 32 -6.348 -0.076 6.080 1.00 74.55 H new ATOM 0 HG11 VAL A 32 -6.239 0.492 8.480 1.00 25.44 H new ATOM 0 HG12 VAL A 32 -4.792 -0.393 7.940 1.00 25.44 H new ATOM 0 HG13 VAL A 32 -4.714 1.366 8.198 1.00 25.44 H new ATOM 0 HG21 VAL A 32 -7.474 1.955 6.912 1.00 44.41 H new ATOM 0 HG22 VAL A 32 -6.013 2.906 6.551 1.00 44.41 H new ATOM 0 HG23 VAL A 32 -6.926 2.141 5.229 1.00 44.41 H new ATOM 523 N VAL A 33 -2.488 -0.540 5.687 1.00 51.31 N ATOM 524 CA VAL A 33 -1.709 -1.788 5.670 1.00 71.20 C ATOM 525 C VAL A 33 -1.404 -2.284 7.093 1.00 74.14 C ATOM 526 O VAL A 33 -0.969 -1.511 7.946 1.00 41.13 O ATOM 527 CB VAL A 33 -0.375 -1.598 4.904 1.00 2.34 C ATOM 528 CG1 VAL A 33 0.421 -2.905 4.851 1.00 75.31 C ATOM 529 CG2 VAL A 33 -0.642 -1.065 3.498 1.00 1.53 C ATOM 0 H VAL A 33 -1.936 0.296 5.878 1.00 51.31 H new ATOM 0 HA VAL A 33 -2.319 -2.534 5.160 1.00 71.20 H new ATOM 0 HB VAL A 33 0.227 -0.866 5.442 1.00 2.34 H new ATOM 0 HG11 VAL A 33 1.352 -2.742 4.308 1.00 75.31 H new ATOM 0 HG12 VAL A 33 0.646 -3.236 5.865 1.00 75.31 H new ATOM 0 HG13 VAL A 33 -0.167 -3.669 4.342 1.00 75.31 H new ATOM 0 HG21 VAL A 33 0.304 -0.936 2.972 1.00 1.53 H new ATOM 0 HG22 VAL A 33 -1.267 -1.773 2.953 1.00 1.53 H new ATOM 0 HG23 VAL A 33 -1.154 -0.105 3.564 1.00 1.53 H new ATOM 539 N SER A 34 -1.632 -3.574 7.343 1.00 33.32 N ATOM 540 CA SER A 34 -1.366 -4.175 8.661 1.00 52.21 C ATOM 541 C SER A 34 0.134 -4.367 8.918 1.00 63.11 C ATOM 542 O SER A 34 0.899 -4.715 8.015 1.00 41.12 O ATOM 543 CB SER A 34 -2.072 -5.531 8.791 1.00 11.23 C ATOM 544 OG SER A 34 -1.695 -6.195 9.992 1.00 20.24 O ATOM 0 H SER A 34 -2.001 -4.228 6.652 1.00 33.32 H new ATOM 0 HA SER A 34 -1.756 -3.480 9.404 1.00 52.21 H new ATOM 0 HB2 SER A 34 -3.152 -5.384 8.777 1.00 11.23 H new ATOM 0 HB3 SER A 34 -1.824 -6.157 7.933 1.00 11.23 H new ATOM 0 HG SER A 34 -2.161 -7.055 10.050 1.00 20.24 H new ATOM 550 N ARG A 35 0.545 -4.157 10.167 1.00 61.54 N ATOM 551 CA ARG A 35 1.941 -4.359 10.571 1.00 13.55 C ATOM 552 C ARG A 35 2.334 -5.845 10.485 1.00 4.05 C ATOM 553 O ARG A 35 3.476 -6.180 10.165 1.00 21.14 O ATOM 554 CB ARG A 35 2.163 -3.823 11.997 1.00 71.31 C ATOM 555 CG ARG A 35 1.211 -4.413 13.034 1.00 32.54 C ATOM 556 CD ARG A 35 1.393 -3.771 14.406 1.00 11.23 C ATOM 557 NE ARG A 35 0.437 -4.283 15.389 1.00 11.32 N ATOM 558 CZ ARG A 35 0.603 -4.206 16.684 1.00 41.03 C ATOM 559 NH1 ARG A 35 1.650 -3.628 17.184 1.00 44.40 N ATOM 560 NH2 ARG A 35 -0.293 -4.692 17.478 1.00 61.23 N ATOM 0 H ARG A 35 -0.068 -3.846 10.921 1.00 61.54 H new ATOM 0 HA ARG A 35 2.579 -3.805 9.883 1.00 13.55 H new ATOM 0 HB2 ARG A 35 3.189 -4.034 12.298 1.00 71.31 H new ATOM 0 HB3 ARG A 35 2.050 -2.739 11.989 1.00 71.31 H new ATOM 0 HG2 ARG A 35 0.182 -4.274 12.702 1.00 32.54 H new ATOM 0 HG3 ARG A 35 1.379 -5.487 13.111 1.00 32.54 H new ATOM 0 HD2 ARG A 35 2.408 -3.955 14.759 1.00 11.23 H new ATOM 0 HD3 ARG A 35 1.277 -2.691 14.318 1.00 11.23 H new ATOM 0 HE ARG A 35 -0.413 -4.728 15.042 1.00 11.32 H new ATOM 0 HH11 ARG A 35 2.355 -3.227 16.566 1.00 44.40 H new ATOM 0 HH12 ARG A 35 1.769 -3.574 18.196 1.00 44.40 H new ATOM 0 HH21 ARG A 35 -1.128 -5.135 17.095 1.00 61.23 H new ATOM 0 HH22 ARG A 35 -0.165 -4.633 18.488 1.00 61.23 H new ATOM 574 N ALA A 36 1.374 -6.731 10.751 1.00 62.52 N ATOM 575 CA ALA A 36 1.604 -8.178 10.663 1.00 70.14 C ATOM 576 C ALA A 36 1.948 -8.605 9.226 1.00 74.41 C ATOM 577 O ALA A 36 2.706 -9.555 9.009 1.00 52.01 O ATOM 578 CB ALA A 36 0.378 -8.932 11.160 1.00 52.45 C ATOM 0 H ALA A 36 0.427 -6.474 11.030 1.00 62.52 H new ATOM 0 HA ALA A 36 2.457 -8.424 11.296 1.00 70.14 H new ATOM 0 HB1 ALA A 36 0.558 -10.005 11.091 1.00 52.45 H new ATOM 0 HB2 ALA A 36 0.181 -8.663 12.198 1.00 52.45 H new ATOM 0 HB3 ALA A 36 -0.484 -8.669 10.547 1.00 52.45 H new ATOM 584 N ALA A 37 1.381 -7.897 8.251 1.00 64.44 N ATOM 585 CA ALA A 37 1.660 -8.154 6.833 1.00 2.22 C ATOM 586 C ALA A 37 3.095 -7.745 6.464 1.00 63.45 C ATOM 587 O ALA A 37 3.812 -8.485 5.790 1.00 55.31 O ATOM 588 CB ALA A 37 0.655 -7.412 5.957 1.00 2.23 C ATOM 0 H ALA A 37 0.722 -7.136 8.415 1.00 64.44 H new ATOM 0 HA ALA A 37 1.562 -9.225 6.658 1.00 2.22 H new ATOM 0 HB1 ALA A 37 0.872 -7.610 4.907 1.00 2.23 H new ATOM 0 HB2 ALA A 37 -0.353 -7.754 6.190 1.00 2.23 H new ATOM 0 HB3 ALA A 37 0.728 -6.341 6.147 1.00 2.23 H new ATOM 594 N LEU A 38 3.508 -6.561 6.917 1.00 61.12 N ATOM 595 CA LEU A 38 4.866 -6.060 6.666 1.00 53.03 C ATOM 596 C LEU A 38 5.933 -7.022 7.217 1.00 22.52 C ATOM 597 O LEU A 38 6.969 -7.245 6.586 1.00 54.21 O ATOM 598 CB LEU A 38 5.043 -4.668 7.286 1.00 2.43 C ATOM 599 CG LEU A 38 4.110 -3.577 6.732 1.00 22.54 C ATOM 600 CD1 LEU A 38 4.361 -2.244 7.428 1.00 24.24 C ATOM 601 CD2 LEU A 38 4.277 -3.435 5.221 1.00 34.11 C ATOM 0 H LEU A 38 2.923 -5.927 7.461 1.00 61.12 H new ATOM 0 HA LEU A 38 5.000 -5.992 5.586 1.00 53.03 H new ATOM 0 HB2 LEU A 38 4.886 -4.745 8.362 1.00 2.43 H new ATOM 0 HB3 LEU A 38 6.075 -4.350 7.137 1.00 2.43 H new ATOM 0 HG LEU A 38 3.082 -3.879 6.934 1.00 22.54 H new ATOM 0 HD11 LEU A 38 3.690 -1.488 7.020 1.00 24.24 H new ATOM 0 HD12 LEU A 38 4.179 -2.352 8.497 1.00 24.24 H new ATOM 0 HD13 LEU A 38 5.394 -1.938 7.265 1.00 24.24 H new ATOM 0 HD21 LEU A 38 3.607 -2.658 4.852 1.00 34.11 H new ATOM 0 HD22 LEU A 38 5.308 -3.164 4.993 1.00 34.11 H new ATOM 0 HD23 LEU A 38 4.035 -4.382 4.738 1.00 34.11 H new ATOM 613 N GLN A 39 5.673 -7.586 8.396 1.00 13.43 N ATOM 614 CA GLN A 39 6.562 -8.594 8.982 1.00 54.13 C ATOM 615 C GLN A 39 6.683 -9.821 8.066 1.00 3.33 C ATOM 616 O GLN A 39 7.781 -10.332 7.840 1.00 75.54 O ATOM 617 CB GLN A 39 6.056 -9.016 10.368 1.00 72.42 C ATOM 618 CG GLN A 39 6.075 -7.891 11.398 1.00 1.20 C ATOM 619 CD GLN A 39 7.471 -7.338 11.639 1.00 61.43 C ATOM 620 OE1 GLN A 39 7.903 -6.392 10.989 1.00 74.23 O ATOM 621 NE2 GLN A 39 8.192 -7.939 12.563 1.00 35.40 N ATOM 0 H GLN A 39 4.856 -7.364 8.965 1.00 13.43 H new ATOM 0 HA GLN A 39 7.551 -8.148 9.089 1.00 54.13 H new ATOM 0 HB2 GLN A 39 5.038 -9.393 10.274 1.00 72.42 H new ATOM 0 HB3 GLN A 39 6.668 -9.841 10.733 1.00 72.42 H new ATOM 0 HG2 GLN A 39 5.423 -7.085 11.062 1.00 1.20 H new ATOM 0 HG3 GLN A 39 5.667 -8.259 12.339 1.00 1.20 H new ATOM 0 HE21 GLN A 39 7.801 -8.723 13.085 1.00 35.40 H new ATOM 0 HE22 GLN A 39 9.141 -7.620 12.757 1.00 35.40 H new ATOM 630 N ALA A 40 5.551 -10.277 7.530 1.00 14.21 N ATOM 631 CA ALA A 40 5.537 -11.393 6.575 1.00 75.03 C ATOM 632 C ALA A 40 6.350 -11.056 5.312 1.00 1.45 C ATOM 633 O ALA A 40 7.074 -11.899 4.779 1.00 64.20 O ATOM 634 CB ALA A 40 4.103 -11.753 6.200 1.00 31.43 C ATOM 0 H ALA A 40 4.630 -9.893 7.739 1.00 14.21 H new ATOM 0 HA ALA A 40 6.003 -12.253 7.057 1.00 75.03 H new ATOM 0 HB1 ALA A 40 4.109 -12.582 5.492 1.00 31.43 H new ATOM 0 HB2 ALA A 40 3.555 -12.045 7.096 1.00 31.43 H new ATOM 0 HB3 ALA A 40 3.618 -10.890 5.744 1.00 31.43 H new ATOM 640 N LEU A 41 6.228 -9.811 4.846 1.00 24.23 N ATOM 641 CA LEU A 41 6.994 -9.327 3.686 1.00 41.54 C ATOM 642 C LEU A 41 8.497 -9.253 3.995 1.00 40.33 C ATOM 643 O LEU A 41 9.333 -9.400 3.104 1.00 51.42 O ATOM 644 CB LEU A 41 6.506 -7.932 3.277 1.00 41.24 C ATOM 645 CG LEU A 41 5.026 -7.828 2.887 1.00 20.22 C ATOM 646 CD1 LEU A 41 4.640 -6.370 2.664 1.00 63.02 C ATOM 647 CD2 LEU A 41 4.730 -8.663 1.642 1.00 42.45 C ATOM 0 H LEU A 41 5.604 -9.114 5.253 1.00 24.23 H new ATOM 0 HA LEU A 41 6.837 -10.035 2.873 1.00 41.54 H new ATOM 0 HB2 LEU A 41 6.693 -7.246 4.103 1.00 41.24 H new ATOM 0 HB3 LEU A 41 7.108 -7.590 2.436 1.00 41.24 H new ATOM 0 HG LEU A 41 4.426 -8.224 3.706 1.00 20.22 H new ATOM 0 HD11 LEU A 41 3.587 -6.310 2.388 1.00 63.02 H new ATOM 0 HD12 LEU A 41 4.807 -5.805 3.581 1.00 63.02 H new ATOM 0 HD13 LEU A 41 5.249 -5.951 1.863 1.00 63.02 H new ATOM 0 HD21 LEU A 41 3.674 -8.573 1.386 1.00 42.45 H new ATOM 0 HD22 LEU A 41 5.337 -8.305 0.811 1.00 42.45 H new ATOM 0 HD23 LEU A 41 4.967 -9.708 1.840 1.00 42.45 H new ATOM 659 N GLY A 42 8.827 -9.025 5.264 1.00 44.42 N ATOM 660 CA GLY A 42 10.220 -8.857 5.666 1.00 62.42 C ATOM 661 C GLY A 42 10.692 -7.410 5.574 1.00 14.44 C ATOM 662 O GLY A 42 11.864 -7.143 5.303 1.00 63.21 O ATOM 0 H GLY A 42 8.153 -8.953 6.027 1.00 44.42 H new ATOM 0 HA2 GLY A 42 10.343 -9.210 6.690 1.00 62.42 H new ATOM 0 HA3 GLY A 42 10.853 -9.481 5.036 1.00 62.42 H new ATOM 666 N VAL A 43 9.777 -6.470 5.804 1.00 4.03 N ATOM 667 CA VAL A 43 10.099 -5.040 5.740 1.00 2.52 C ATOM 668 C VAL A 43 10.932 -4.600 6.955 1.00 42.42 C ATOM 669 O VAL A 43 10.518 -4.773 8.103 1.00 72.21 O ATOM 670 CB VAL A 43 8.813 -4.174 5.661 1.00 15.21 C ATOM 671 CG1 VAL A 43 9.157 -2.687 5.559 1.00 72.10 C ATOM 672 CG2 VAL A 43 7.935 -4.612 4.487 1.00 1.24 C ATOM 0 H VAL A 43 8.804 -6.670 6.037 1.00 4.03 H new ATOM 0 HA VAL A 43 10.685 -4.889 4.833 1.00 2.52 H new ATOM 0 HB VAL A 43 8.249 -4.324 6.582 1.00 15.21 H new ATOM 0 HG11 VAL A 43 8.238 -2.104 5.505 1.00 72.10 H new ATOM 0 HG12 VAL A 43 9.728 -2.385 6.437 1.00 72.10 H new ATOM 0 HG13 VAL A 43 9.751 -2.512 4.662 1.00 72.10 H new ATOM 0 HG21 VAL A 43 7.040 -3.992 4.451 1.00 1.24 H new ATOM 0 HG22 VAL A 43 8.491 -4.501 3.556 1.00 1.24 H new ATOM 0 HG23 VAL A 43 7.648 -5.656 4.617 1.00 1.24 H new ATOM 682 N ALA A 44 12.105 -4.031 6.695 1.00 54.33 N ATOM 683 CA ALA A 44 13.001 -3.571 7.760 1.00 51.24 C ATOM 684 C ALA A 44 12.684 -2.128 8.173 1.00 31.24 C ATOM 685 O ALA A 44 12.208 -1.329 7.359 1.00 13.13 O ATOM 686 CB ALA A 44 14.455 -3.692 7.312 1.00 54.04 C ATOM 0 H ALA A 44 12.462 -3.875 5.752 1.00 54.33 H new ATOM 0 HA ALA A 44 12.845 -4.207 8.632 1.00 51.24 H new ATOM 0 HB1 ALA A 44 15.112 -3.348 8.111 1.00 54.04 H new ATOM 0 HB2 ALA A 44 14.679 -4.733 7.082 1.00 54.04 H new ATOM 0 HB3 ALA A 44 14.614 -3.081 6.423 1.00 54.04 H new ATOM 692 N GLU A 45 12.940 -1.802 9.444 1.00 10.23 N ATOM 693 CA GLU A 45 12.736 -0.441 9.961 1.00 62.42 C ATOM 694 C GLU A 45 13.342 0.610 9.017 1.00 73.32 C ATOM 695 O GLU A 45 14.516 0.531 8.652 1.00 64.22 O ATOM 696 CB GLU A 45 13.355 -0.306 11.360 1.00 73.45 C ATOM 697 CG GLU A 45 13.177 1.078 11.982 1.00 71.22 C ATOM 698 CD GLU A 45 13.875 1.218 13.325 1.00 14.42 C ATOM 699 OE1 GLU A 45 15.085 1.522 13.342 1.00 53.52 O ATOM 700 OE2 GLU A 45 13.218 1.034 14.370 1.00 64.11 O ATOM 0 H GLU A 45 13.290 -2.463 10.137 1.00 10.23 H new ATOM 0 HA GLU A 45 11.662 -0.264 10.024 1.00 62.42 H new ATOM 0 HB2 GLU A 45 12.907 -1.050 12.019 1.00 73.45 H new ATOM 0 HB3 GLU A 45 14.419 -0.533 11.300 1.00 73.45 H new ATOM 0 HG2 GLU A 45 13.565 1.831 11.296 1.00 71.22 H new ATOM 0 HG3 GLU A 45 12.113 1.280 12.108 1.00 71.22 H new ATOM 707 N GLY A 46 12.530 1.584 8.623 1.00 22.52 N ATOM 708 CA GLY A 46 12.958 2.576 7.639 1.00 21.34 C ATOM 709 C GLY A 46 12.323 2.345 6.270 1.00 52.11 C ATOM 710 O GLY A 46 11.879 3.292 5.619 1.00 42.13 O ATOM 0 H GLY A 46 11.578 1.709 8.966 1.00 22.52 H new ATOM 0 HA2 GLY A 46 12.697 3.573 7.994 1.00 21.34 H new ATOM 0 HA3 GLY A 46 14.043 2.545 7.544 1.00 21.34 H new ATOM 714 N GLY A 47 12.262 1.080 5.840 1.00 2.24 N ATOM 715 CA GLY A 47 11.596 0.742 4.580 1.00 10.25 C ATOM 716 C GLY A 47 10.128 1.156 4.575 1.00 31.24 C ATOM 717 O GLY A 47 9.542 1.405 3.521 1.00 74.21 O ATOM 0 H GLY A 47 12.660 0.284 6.339 1.00 2.24 H new ATOM 0 HA2 GLY A 47 12.113 1.232 3.755 1.00 10.25 H new ATOM 0 HA3 GLY A 47 11.669 -0.332 4.409 1.00 10.25 H new ATOM 721 N GLU A 48 9.548 1.225 5.772 1.00 74.42 N ATOM 722 CA GLU A 48 8.192 1.751 5.988 1.00 53.23 C ATOM 723 C GLU A 48 8.024 3.144 5.351 1.00 75.51 C ATOM 724 O GLU A 48 6.956 3.500 4.856 1.00 65.12 O ATOM 725 CB GLU A 48 7.944 1.836 7.505 1.00 44.24 C ATOM 726 CG GLU A 48 8.892 2.813 8.209 1.00 62.40 C ATOM 727 CD GLU A 48 8.987 2.618 9.714 1.00 53.24 C ATOM 728 OE1 GLU A 48 8.054 3.029 10.435 1.00 63.42 O ATOM 729 OE2 GLU A 48 10.020 2.087 10.182 1.00 15.05 O ATOM 0 H GLU A 48 10.006 0.916 6.629 1.00 74.42 H new ATOM 0 HA GLU A 48 7.469 1.085 5.517 1.00 53.23 H new ATOM 0 HB2 GLU A 48 6.914 2.145 7.683 1.00 44.24 H new ATOM 0 HB3 GLU A 48 8.060 0.845 7.943 1.00 44.24 H new ATOM 0 HG2 GLU A 48 9.888 2.710 7.777 1.00 62.40 H new ATOM 0 HG3 GLU A 48 8.561 3.832 8.007 1.00 62.40 H new ATOM 736 N ARG A 49 9.106 3.920 5.365 1.00 63.22 N ATOM 737 CA ARG A 49 9.101 5.299 4.863 1.00 11.11 C ATOM 738 C ARG A 49 9.446 5.359 3.367 1.00 12.12 C ATOM 739 O ARG A 49 9.429 6.430 2.761 1.00 12.43 O ATOM 740 CB ARG A 49 10.105 6.130 5.673 1.00 63.24 C ATOM 741 CG ARG A 49 9.843 6.081 7.175 1.00 44.54 C ATOM 742 CD ARG A 49 11.045 6.533 7.993 1.00 41.34 C ATOM 743 NE ARG A 49 11.337 7.955 7.831 1.00 31.14 N ATOM 744 CZ ARG A 49 11.967 8.671 8.720 1.00 24.22 C ATOM 745 NH1 ARG A 49 12.373 8.135 9.825 1.00 44.10 N ATOM 746 NH2 ARG A 49 12.189 9.921 8.503 1.00 11.35 N ATOM 0 H ARG A 49 10.011 3.614 5.723 1.00 63.22 H new ATOM 0 HA ARG A 49 8.097 5.707 4.981 1.00 11.11 H new ATOM 0 HB2 ARG A 49 11.113 5.767 5.473 1.00 63.24 H new ATOM 0 HB3 ARG A 49 10.066 7.166 5.336 1.00 63.24 H new ATOM 0 HG2 ARG A 49 8.988 6.714 7.412 1.00 44.54 H new ATOM 0 HG3 ARG A 49 9.575 5.064 7.461 1.00 44.54 H new ATOM 0 HD2 ARG A 49 10.862 6.322 9.047 1.00 41.34 H new ATOM 0 HD3 ARG A 49 11.919 5.951 7.699 1.00 41.34 H new ATOM 0 HE ARG A 49 11.030 8.414 6.973 1.00 31.14 H new ATOM 0 HH11 ARG A 49 12.201 7.146 10.005 1.00 44.10 H new ATOM 0 HH12 ARG A 49 12.865 8.701 10.516 1.00 44.10 H new ATOM 0 HH21 ARG A 49 11.872 10.352 7.635 1.00 11.35 H new ATOM 0 HH22 ARG A 49 12.682 10.480 9.199 1.00 11.35 H new ATOM 760 N CYS A 50 9.751 4.202 2.782 1.00 41.34 N ATOM 761 CA CYS A 50 10.110 4.113 1.360 1.00 4.23 C ATOM 762 C CYS A 50 9.420 2.909 0.690 1.00 61.30 C ATOM 763 O CYS A 50 10.069 1.909 0.368 1.00 74.31 O ATOM 764 CB CYS A 50 11.634 4.001 1.199 1.00 34.54 C ATOM 765 SG CYS A 50 12.565 5.369 1.933 1.00 75.14 S ATOM 0 H CYS A 50 9.758 3.307 3.270 1.00 41.34 H new ATOM 0 HA CYS A 50 9.766 5.023 0.869 1.00 4.23 H new ATOM 0 HB2 CYS A 50 11.967 3.067 1.651 1.00 34.54 H new ATOM 0 HB3 CYS A 50 11.872 3.944 0.137 1.00 34.54 H new ATOM 0 HG CYS A 50 13.837 5.178 1.745 1.00 75.14 H new ATOM 771 N PRO A 51 8.089 2.993 0.464 1.00 71.03 N ATOM 772 CA PRO A 51 7.306 1.888 -0.131 1.00 22.24 C ATOM 773 C PRO A 51 7.798 1.496 -1.534 1.00 22.40 C ATOM 774 O PRO A 51 7.645 0.350 -1.962 1.00 3.33 O ATOM 775 CB PRO A 51 5.870 2.451 -0.182 1.00 32.22 C ATOM 776 CG PRO A 51 6.026 3.933 -0.078 1.00 32.20 C ATOM 777 CD PRO A 51 7.243 4.160 0.775 1.00 52.10 C ATOM 0 HA PRO A 51 7.393 0.970 0.451 1.00 22.24 H new ATOM 0 HB2 PRO A 51 5.370 2.172 -1.110 1.00 32.22 H new ATOM 0 HB3 PRO A 51 5.265 2.060 0.636 1.00 32.22 H new ATOM 0 HG2 PRO A 51 6.150 4.383 -1.063 1.00 32.20 H new ATOM 0 HG3 PRO A 51 5.143 4.388 0.371 1.00 32.20 H new ATOM 0 HD2 PRO A 51 7.741 5.097 0.526 1.00 52.10 H new ATOM 0 HD3 PRO A 51 6.991 4.205 1.834 1.00 52.10 H new ATOM 785 N GLN A 52 8.404 2.452 -2.236 1.00 34.51 N ATOM 786 CA GLN A 52 8.960 2.209 -3.574 1.00 35.05 C ATOM 787 C GLN A 52 10.097 1.170 -3.534 1.00 31.40 C ATOM 788 O GLN A 52 10.370 0.498 -4.529 1.00 23.52 O ATOM 789 CB GLN A 52 9.479 3.523 -4.180 1.00 40.42 C ATOM 790 CG GLN A 52 8.422 4.616 -4.293 1.00 30.34 C ATOM 791 CD GLN A 52 8.946 5.879 -4.959 1.00 12.35 C ATOM 792 OE1 GLN A 52 9.833 5.830 -5.806 1.00 34.34 O ATOM 793 NE2 GLN A 52 8.403 7.017 -4.585 1.00 11.12 N ATOM 0 H GLN A 52 8.525 3.408 -1.902 1.00 34.51 H new ATOM 0 HA GLN A 52 8.159 1.812 -4.197 1.00 35.05 H new ATOM 0 HB2 GLN A 52 10.304 3.891 -3.570 1.00 40.42 H new ATOM 0 HB3 GLN A 52 9.883 3.319 -5.172 1.00 40.42 H new ATOM 0 HG2 GLN A 52 7.573 4.236 -4.862 1.00 30.34 H new ATOM 0 HG3 GLN A 52 8.053 4.862 -3.297 1.00 30.34 H new ATOM 0 HE21 GLN A 52 7.668 7.023 -3.878 1.00 11.12 H new ATOM 0 HE22 GLN A 52 8.717 7.893 -5.002 1.00 11.12 H new ATOM 802 N SER A 53 10.752 1.051 -2.381 1.00 43.14 N ATOM 803 CA SER A 53 11.858 0.092 -2.205 1.00 31.34 C ATOM 804 C SER A 53 11.344 -1.314 -1.858 1.00 71.04 C ATOM 805 O SER A 53 11.967 -2.317 -2.213 1.00 20.41 O ATOM 806 CB SER A 53 12.821 0.579 -1.110 1.00 42.32 C ATOM 807 OG SER A 53 13.427 1.812 -1.478 1.00 71.54 O ATOM 0 H SER A 53 10.541 1.604 -1.550 1.00 43.14 H new ATOM 0 HA SER A 53 12.390 0.031 -3.155 1.00 31.34 H new ATOM 0 HB2 SER A 53 12.279 0.701 -0.172 1.00 42.32 H new ATOM 0 HB3 SER A 53 13.592 -0.172 -0.938 1.00 42.32 H new ATOM 0 HG SER A 53 14.034 2.103 -0.766 1.00 71.54 H new ATOM 813 N VAL A 54 10.211 -1.382 -1.157 1.00 45.14 N ATOM 814 CA VAL A 54 9.592 -2.668 -0.806 1.00 35.43 C ATOM 815 C VAL A 54 8.894 -3.293 -2.027 1.00 25.51 C ATOM 816 O VAL A 54 9.023 -4.490 -2.293 1.00 74.35 O ATOM 817 CB VAL A 54 8.569 -2.506 0.350 1.00 62.02 C ATOM 818 CG1 VAL A 54 8.000 -3.864 0.769 1.00 70.23 C ATOM 819 CG2 VAL A 54 9.211 -1.793 1.541 1.00 73.24 C ATOM 0 H VAL A 54 9.702 -0.565 -0.820 1.00 45.14 H new ATOM 0 HA VAL A 54 10.391 -3.331 -0.474 1.00 35.43 H new ATOM 0 HB VAL A 54 7.743 -1.892 -0.009 1.00 62.02 H new ATOM 0 HG11 VAL A 54 7.286 -3.724 1.580 1.00 70.23 H new ATOM 0 HG12 VAL A 54 7.498 -4.326 -0.081 1.00 70.23 H new ATOM 0 HG13 VAL A 54 8.811 -4.510 1.106 1.00 70.23 H new ATOM 0 HG21 VAL A 54 8.478 -1.689 2.341 1.00 73.24 H new ATOM 0 HG22 VAL A 54 10.059 -2.376 1.900 1.00 73.24 H new ATOM 0 HG23 VAL A 54 9.554 -0.805 1.232 1.00 73.24 H new ATOM 829 N GLY A 55 8.150 -2.469 -2.766 1.00 40.32 N ATOM 830 CA GLY A 55 7.526 -2.918 -4.007 1.00 64.21 C ATOM 831 C GLY A 55 6.082 -3.386 -3.834 1.00 71.53 C ATOM 832 O GLY A 55 5.142 -2.657 -4.161 1.00 61.35 O ATOM 0 H GLY A 55 7.967 -1.494 -2.528 1.00 40.32 H new ATOM 0 HA2 GLY A 55 7.550 -2.104 -4.731 1.00 64.21 H new ATOM 0 HA3 GLY A 55 8.115 -3.734 -4.425 1.00 64.21 H new ATOM 836 N TRP A 56 5.904 -4.605 -3.327 1.00 12.12 N ATOM 837 CA TRP A 56 4.568 -5.209 -3.194 1.00 2.54 C ATOM 838 C TRP A 56 4.141 -5.364 -1.726 1.00 25.44 C ATOM 839 O TRP A 56 4.737 -6.133 -0.970 1.00 32.35 O ATOM 840 CB TRP A 56 4.536 -6.581 -3.885 1.00 63.10 C ATOM 841 CG TRP A 56 4.588 -6.513 -5.383 1.00 0.14 C ATOM 842 CD1 TRP A 56 5.701 -6.439 -6.167 1.00 23.32 C ATOM 843 CD2 TRP A 56 3.468 -6.525 -6.275 1.00 12.34 C ATOM 844 NE1 TRP A 56 5.341 -6.402 -7.492 1.00 0.44 N ATOM 845 CE2 TRP A 56 3.976 -6.457 -7.584 1.00 61.22 C ATOM 846 CE3 TRP A 56 2.084 -6.590 -6.091 1.00 61.50 C ATOM 847 CZ2 TRP A 56 3.149 -6.450 -8.705 1.00 63.32 C ATOM 848 CZ3 TRP A 56 1.264 -6.584 -7.203 1.00 23.34 C ATOM 849 CH2 TRP A 56 1.800 -6.518 -8.496 1.00 31.44 C ATOM 0 H TRP A 56 6.666 -5.199 -3.000 1.00 12.12 H new ATOM 0 HA TRP A 56 3.862 -4.532 -3.676 1.00 2.54 H new ATOM 0 HB2 TRP A 56 5.378 -7.175 -3.529 1.00 63.10 H new ATOM 0 HB3 TRP A 56 3.628 -7.105 -3.587 1.00 63.10 H new ATOM 0 HD1 TRP A 56 6.716 -6.413 -5.800 1.00 23.32 H new ATOM 0 HE1 TRP A 56 5.986 -6.343 -8.280 1.00 0.44 H new ATOM 0 HE3 TRP A 56 1.663 -6.644 -5.098 1.00 61.50 H new ATOM 0 HZ2 TRP A 56 3.559 -6.393 -9.703 1.00 63.32 H new ATOM 0 HZ3 TRP A 56 0.193 -6.631 -7.074 1.00 23.34 H new ATOM 0 HH2 TRP A 56 1.133 -6.521 -9.345 1.00 31.44 H new ATOM 860 N MET A 57 3.099 -4.632 -1.332 1.00 62.22 N ATOM 861 CA MET A 57 2.523 -4.762 0.012 1.00 72.14 C ATOM 862 C MET A 57 1.008 -5.029 -0.060 1.00 20.45 C ATOM 863 O MET A 57 0.295 -4.384 -0.831 1.00 33.13 O ATOM 864 CB MET A 57 2.779 -3.495 0.850 1.00 31.12 C ATOM 865 CG MET A 57 4.252 -3.167 1.067 1.00 23.52 C ATOM 866 SD MET A 57 5.083 -2.613 -0.434 1.00 15.43 S ATOM 867 CE MET A 57 4.156 -1.129 -0.804 1.00 71.31 C ATOM 0 H MET A 57 2.634 -3.942 -1.922 1.00 62.22 H new ATOM 0 HA MET A 57 3.012 -5.610 0.493 1.00 72.14 H new ATOM 0 HB2 MET A 57 2.300 -2.648 0.360 1.00 31.12 H new ATOM 0 HB3 MET A 57 2.299 -3.614 1.822 1.00 31.12 H new ATOM 0 HG2 MET A 57 4.337 -2.392 1.829 1.00 23.52 H new ATOM 0 HG3 MET A 57 4.762 -4.050 1.452 1.00 23.52 H new ATOM 0 HE1 MET A 57 3.551 -1.291 -1.696 1.00 71.31 H new ATOM 0 HE2 MET A 57 3.506 -0.887 0.037 1.00 71.31 H new ATOM 0 HE3 MET A 57 4.846 -0.303 -0.979 1.00 71.31 H new ATOM 877 N PRO A 58 0.495 -5.995 0.726 1.00 71.31 N ATOM 878 CA PRO A 58 -0.948 -6.229 0.849 1.00 21.15 C ATOM 879 C PRO A 58 -1.611 -5.264 1.850 1.00 61.32 C ATOM 880 O PRO A 58 -1.208 -5.184 3.011 1.00 35.23 O ATOM 881 CB PRO A 58 -1.017 -7.673 1.351 1.00 42.44 C ATOM 882 CG PRO A 58 0.227 -7.852 2.158 1.00 52.13 C ATOM 883 CD PRO A 58 1.274 -6.953 1.539 1.00 31.22 C ATOM 0 HA PRO A 58 -1.480 -6.064 -0.088 1.00 21.15 H new ATOM 0 HB2 PRO A 58 -1.909 -7.840 1.955 1.00 42.44 H new ATOM 0 HB3 PRO A 58 -1.057 -8.379 0.522 1.00 42.44 H new ATOM 0 HG2 PRO A 58 0.055 -7.586 3.201 1.00 52.13 H new ATOM 0 HG3 PRO A 58 0.552 -8.892 2.144 1.00 52.13 H new ATOM 0 HD2 PRO A 58 1.862 -6.442 2.302 1.00 31.22 H new ATOM 0 HD3 PRO A 58 1.973 -7.520 0.925 1.00 31.22 H new ATOM 891 N GLY A 59 -2.622 -4.527 1.400 1.00 33.40 N ATOM 892 CA GLY A 59 -3.287 -3.567 2.272 1.00 23.32 C ATOM 893 C GLY A 59 -4.768 -3.381 1.964 1.00 62.14 C ATOM 894 O GLY A 59 -5.299 -3.956 1.008 1.00 53.23 O ATOM 0 H GLY A 59 -2.994 -4.575 0.451 1.00 33.40 H new ATOM 0 HA2 GLY A 59 -3.179 -3.894 3.306 1.00 23.32 H new ATOM 0 HA3 GLY A 59 -2.784 -2.604 2.187 1.00 23.32 H new ATOM 898 N LEU A 60 -5.432 -2.571 2.780 1.00 43.22 N ATOM 899 CA LEU A 60 -6.858 -2.278 2.614 1.00 75.52 C ATOM 900 C LEU A 60 -7.062 -0.952 1.866 1.00 64.51 C ATOM 901 O LEU A 60 -6.588 0.095 2.305 1.00 33.44 O ATOM 902 CB LEU A 60 -7.534 -2.204 3.990 1.00 55.44 C ATOM 903 CG LEU A 60 -9.041 -1.890 3.975 1.00 12.22 C ATOM 904 CD1 LEU A 60 -9.821 -2.975 3.237 1.00 33.51 C ATOM 905 CD2 LEU A 60 -9.571 -1.715 5.396 1.00 3.23 C ATOM 0 H LEU A 60 -5.002 -2.098 3.575 1.00 43.22 H new ATOM 0 HA LEU A 60 -7.308 -3.078 2.026 1.00 75.52 H new ATOM 0 HB2 LEU A 60 -7.385 -3.156 4.500 1.00 55.44 H new ATOM 0 HB3 LEU A 60 -7.028 -1.442 4.583 1.00 55.44 H new ATOM 0 HG LEU A 60 -9.183 -0.952 3.439 1.00 12.22 H new ATOM 0 HD11 LEU A 60 -10.882 -2.727 3.242 1.00 33.51 H new ATOM 0 HD12 LEU A 60 -9.468 -3.040 2.208 1.00 33.51 H new ATOM 0 HD13 LEU A 60 -9.670 -3.933 3.734 1.00 33.51 H new ATOM 0 HD21 LEU A 60 -10.638 -1.494 5.362 1.00 3.23 H new ATOM 0 HD22 LEU A 60 -9.409 -2.633 5.961 1.00 3.23 H new ATOM 0 HD23 LEU A 60 -9.045 -0.893 5.882 1.00 3.23 H new ATOM 917 N ASN A 61 -7.759 -1.002 0.735 1.00 13.11 N ATOM 918 CA ASN A 61 -8.051 0.206 -0.051 1.00 64.44 C ATOM 919 C ASN A 61 -9.408 0.807 0.341 1.00 71.41 C ATOM 920 O ASN A 61 -10.439 0.154 0.227 1.00 25.13 O ATOM 921 CB ASN A 61 -8.031 -0.129 -1.546 1.00 61.42 C ATOM 922 CG ASN A 61 -8.494 1.026 -2.412 1.00 23.51 C ATOM 923 OD1 ASN A 61 -9.653 1.094 -2.804 1.00 41.10 O ATOM 924 ND2 ASN A 61 -7.604 1.951 -2.698 1.00 24.15 N ATOM 0 H ASN A 61 -8.135 -1.863 0.337 1.00 13.11 H new ATOM 0 HA ASN A 61 -7.282 0.948 0.162 1.00 64.44 H new ATOM 0 HB2 ASN A 61 -7.020 -0.413 -1.837 1.00 61.42 H new ATOM 0 HB3 ASN A 61 -8.670 -0.993 -1.729 1.00 61.42 H new ATOM 0 HD21 ASN A 61 -7.870 2.757 -3.263 1.00 24.15 H new ATOM 0 HD22 ASN A 61 -6.648 1.862 -2.355 1.00 24.15 H new ATOM 931 N GLU A 62 -9.399 2.064 0.781 1.00 75.41 N ATOM 932 CA GLU A 62 -10.612 2.714 1.293 1.00 31.01 C ATOM 933 C GLU A 62 -11.622 3.068 0.188 1.00 21.01 C ATOM 934 O GLU A 62 -12.824 3.152 0.455 1.00 2.10 O ATOM 935 CB GLU A 62 -10.238 3.964 2.099 1.00 52.25 C ATOM 936 CG GLU A 62 -9.644 3.647 3.468 1.00 42.34 C ATOM 937 CD GLU A 62 -10.623 2.918 4.381 1.00 51.03 C ATOM 938 OE1 GLU A 62 -11.577 3.567 4.870 1.00 13.33 O ATOM 939 OE2 GLU A 62 -10.456 1.701 4.611 1.00 21.42 O ATOM 0 H GLU A 62 -8.568 2.655 0.795 1.00 75.41 H new ATOM 0 HA GLU A 62 -11.107 1.992 1.942 1.00 31.01 H new ATOM 0 HB2 GLU A 62 -9.521 4.554 1.528 1.00 52.25 H new ATOM 0 HB3 GLU A 62 -11.126 4.582 2.231 1.00 52.25 H new ATOM 0 HG2 GLU A 62 -8.751 3.036 3.339 1.00 42.34 H new ATOM 0 HG3 GLU A 62 -9.330 4.575 3.946 1.00 42.34 H new ATOM 946 N ARG A 63 -11.147 3.288 -1.038 1.00 63.53 N ATOM 947 CA ARG A 63 -12.045 3.532 -2.178 1.00 1.14 C ATOM 948 C ARG A 63 -13.011 2.358 -2.389 1.00 1.50 C ATOM 949 O ARG A 63 -14.227 2.543 -2.471 1.00 75.43 O ATOM 950 CB ARG A 63 -11.238 3.770 -3.466 1.00 20.42 C ATOM 951 CG ARG A 63 -12.080 3.923 -4.736 1.00 33.25 C ATOM 952 CD ARG A 63 -12.934 5.194 -4.738 1.00 15.20 C ATOM 953 NE ARG A 63 -14.072 5.121 -3.819 1.00 74.40 N ATOM 954 CZ ARG A 63 -15.126 5.886 -3.892 1.00 45.40 C ATOM 955 NH1 ARG A 63 -15.271 6.729 -4.863 1.00 10.04 N ATOM 956 NH2 ARG A 63 -16.052 5.781 -3.000 1.00 20.14 N ATOM 0 H ARG A 63 -10.154 3.303 -1.271 1.00 63.53 H new ATOM 0 HA ARG A 63 -12.626 4.425 -1.948 1.00 1.14 H new ATOM 0 HB2 ARG A 63 -10.634 4.668 -3.338 1.00 20.42 H new ATOM 0 HB3 ARG A 63 -10.547 2.938 -3.604 1.00 20.42 H new ATOM 0 HG2 ARG A 63 -11.420 3.934 -5.604 1.00 33.25 H new ATOM 0 HG3 ARG A 63 -12.730 3.055 -4.841 1.00 33.25 H new ATOM 0 HD2 ARG A 63 -12.309 6.045 -4.467 1.00 15.20 H new ATOM 0 HD3 ARG A 63 -13.301 5.377 -5.748 1.00 15.20 H new ATOM 0 HE ARG A 63 -14.038 4.426 -3.073 1.00 74.40 H new ATOM 0 HH11 ARG A 63 -14.555 6.802 -5.586 1.00 10.04 H new ATOM 0 HH12 ARG A 63 -16.101 7.320 -4.906 1.00 10.04 H new ATOM 0 HH21 ARG A 63 -15.957 5.103 -2.244 1.00 20.14 H new ATOM 0 HH22 ARG A 63 -16.879 6.376 -3.051 1.00 20.14 H new ATOM 970 N THR A 64 -12.455 1.157 -2.486 1.00 4.12 N ATOM 971 CA THR A 64 -13.245 -0.061 -2.715 1.00 25.54 C ATOM 972 C THR A 64 -13.633 -0.736 -1.394 1.00 62.33 C ATOM 973 O THR A 64 -14.530 -1.581 -1.358 1.00 34.51 O ATOM 974 CB THR A 64 -12.460 -1.083 -3.574 1.00 32.50 C ATOM 975 OG1 THR A 64 -11.241 -1.448 -2.907 1.00 3.23 O ATOM 976 CG2 THR A 64 -12.138 -0.513 -4.953 1.00 0.30 C ATOM 0 H THR A 64 -11.451 0.993 -2.410 1.00 4.12 H new ATOM 0 HA THR A 64 -14.147 0.248 -3.243 1.00 25.54 H new ATOM 0 HB THR A 64 -13.086 -1.966 -3.705 1.00 32.50 H new ATOM 0 HG1 THR A 64 -10.622 -0.689 -2.919 1.00 3.23 H new ATOM 0 HG21 THR A 64 -11.587 -1.253 -5.533 1.00 0.30 H new ATOM 0 HG22 THR A 64 -13.065 -0.264 -5.470 1.00 0.30 H new ATOM 0 HG23 THR A 64 -11.532 0.386 -4.843 1.00 0.30 H new ATOM 984 N ARG A 65 -12.955 -0.344 -0.312 1.00 32.51 N ATOM 985 CA ARG A 65 -13.139 -0.957 1.011 1.00 64.45 C ATOM 986 C ARG A 65 -12.809 -2.461 0.992 1.00 1.12 C ATOM 987 O ARG A 65 -13.280 -3.224 1.839 1.00 74.10 O ATOM 988 CB ARG A 65 -14.564 -0.707 1.528 1.00 53.22 C ATOM 989 CG ARG A 65 -14.845 0.765 1.824 1.00 13.32 C ATOM 990 CD ARG A 65 -16.279 0.994 2.279 1.00 30.22 C ATOM 991 NE ARG A 65 -16.635 0.156 3.427 1.00 24.13 N ATOM 992 CZ ARG A 65 -16.879 0.608 4.628 1.00 63.32 C ATOM 993 NH1 ARG A 65 -16.782 1.870 4.896 1.00 12.02 N ATOM 994 NH2 ARG A 65 -17.207 -0.215 5.566 1.00 2.50 N ATOM 0 H ARG A 65 -12.264 0.406 -0.326 1.00 32.51 H new ATOM 0 HA ARG A 65 -12.438 -0.484 1.698 1.00 64.45 H new ATOM 0 HB2 ARG A 65 -15.280 -1.066 0.789 1.00 53.22 H new ATOM 0 HB3 ARG A 65 -14.723 -1.290 2.435 1.00 53.22 H new ATOM 0 HG2 ARG A 65 -14.160 1.116 2.596 1.00 13.32 H new ATOM 0 HG3 ARG A 65 -14.650 1.358 0.930 1.00 13.32 H new ATOM 0 HD2 ARG A 65 -16.412 2.043 2.542 1.00 30.22 H new ATOM 0 HD3 ARG A 65 -16.959 0.784 1.453 1.00 30.22 H new ATOM 0 HE ARG A 65 -16.697 -0.851 3.278 1.00 24.13 H new ATOM 0 HH11 ARG A 65 -16.512 2.527 4.164 1.00 12.02 H new ATOM 0 HH12 ARG A 65 -16.976 2.208 5.839 1.00 12.02 H new ATOM 0 HH21 ARG A 65 -17.275 -1.213 5.368 1.00 2.50 H new ATOM 0 HH22 ARG A 65 -17.399 0.133 6.506 1.00 2.50 H new ATOM 1008 N GLN A 66 -11.972 -2.869 0.035 1.00 4.21 N ATOM 1009 CA GLN A 66 -11.536 -4.266 -0.091 1.00 43.03 C ATOM 1010 C GLN A 66 -10.013 -4.397 0.066 1.00 14.20 C ATOM 1011 O GLN A 66 -9.273 -3.420 -0.071 1.00 41.43 O ATOM 1012 CB GLN A 66 -11.969 -4.838 -1.450 1.00 31.50 C ATOM 1013 CG GLN A 66 -13.480 -4.970 -1.614 1.00 71.24 C ATOM 1014 CD GLN A 66 -14.113 -5.886 -0.580 1.00 54.04 C ATOM 1015 OE1 GLN A 66 -13.485 -6.819 -0.082 1.00 24.34 O ATOM 1016 NE2 GLN A 66 -15.365 -5.637 -0.260 1.00 61.43 N ATOM 0 H GLN A 66 -11.578 -2.247 -0.671 1.00 4.21 H new ATOM 0 HA GLN A 66 -12.010 -4.834 0.710 1.00 43.03 H new ATOM 0 HB2 GLN A 66 -11.582 -4.197 -2.242 1.00 31.50 H new ATOM 0 HB3 GLN A 66 -11.512 -5.819 -1.582 1.00 31.50 H new ATOM 0 HG2 GLN A 66 -13.935 -3.982 -1.543 1.00 71.24 H new ATOM 0 HG3 GLN A 66 -13.700 -5.351 -2.611 1.00 71.24 H new ATOM 0 HE21 GLN A 66 -15.856 -4.855 -0.693 1.00 61.43 H new ATOM 0 HE22 GLN A 66 -15.844 -6.226 0.421 1.00 61.43 H new ATOM 1025 N ARG A 67 -9.556 -5.611 0.357 1.00 22.23 N ATOM 1026 CA ARG A 67 -8.125 -5.883 0.532 1.00 62.35 C ATOM 1027 C ARG A 67 -7.471 -6.338 -0.786 1.00 12.43 C ATOM 1028 O ARG A 67 -8.122 -6.943 -1.638 1.00 53.43 O ATOM 1029 CB ARG A 67 -7.933 -6.965 1.601 1.00 40.14 C ATOM 1030 CG ARG A 67 -8.521 -6.603 2.963 1.00 41.13 C ATOM 1031 CD ARG A 67 -8.492 -7.793 3.916 1.00 52.14 C ATOM 1032 NE ARG A 67 -9.248 -8.930 3.385 1.00 4.10 N ATOM 1033 CZ ARG A 67 -8.930 -10.184 3.576 1.00 44.10 C ATOM 1034 NH1 ARG A 67 -7.891 -10.499 4.285 1.00 32.14 N ATOM 1035 NH2 ARG A 67 -9.650 -11.123 3.050 1.00 63.54 N ATOM 0 H ARG A 67 -10.155 -6.428 0.478 1.00 22.23 H new ATOM 0 HA ARG A 67 -7.642 -4.958 0.847 1.00 62.35 H new ATOM 0 HB2 ARG A 67 -8.392 -7.891 1.253 1.00 40.14 H new ATOM 0 HB3 ARG A 67 -6.867 -7.161 1.717 1.00 40.14 H new ATOM 0 HG2 ARG A 67 -7.959 -5.775 3.395 1.00 41.13 H new ATOM 0 HG3 ARG A 67 -9.548 -6.260 2.838 1.00 41.13 H new ATOM 0 HD2 ARG A 67 -7.459 -8.093 4.092 1.00 52.14 H new ATOM 0 HD3 ARG A 67 -8.907 -7.498 4.880 1.00 52.14 H new ATOM 0 HE ARG A 67 -10.079 -8.730 2.828 1.00 4.10 H new ATOM 0 HH11 ARG A 67 -7.315 -9.766 4.699 1.00 32.14 H new ATOM 0 HH12 ARG A 67 -7.650 -11.480 4.429 1.00 32.14 H new ATOM 0 HH21 ARG A 67 -10.466 -10.885 2.486 1.00 63.54 H new ATOM 0 HH22 ARG A 67 -9.401 -12.101 3.199 1.00 63.54 H new ATOM 1049 N GLY A 68 -6.182 -6.043 -0.940 1.00 12.11 N ATOM 1050 CA GLY A 68 -5.443 -6.469 -2.127 1.00 64.21 C ATOM 1051 C GLY A 68 -3.965 -6.094 -2.068 1.00 43.21 C ATOM 1052 O GLY A 68 -3.491 -5.587 -1.050 1.00 15.43 O ATOM 0 H GLY A 68 -5.631 -5.515 -0.264 1.00 12.11 H new ATOM 0 HA2 GLY A 68 -5.535 -7.549 -2.239 1.00 64.21 H new ATOM 0 HA3 GLY A 68 -5.893 -6.018 -3.011 1.00 64.21 H new ATOM 1056 N ASP A 69 -3.232 -6.356 -3.148 1.00 35.20 N ATOM 1057 CA ASP A 69 -1.815 -5.978 -3.238 1.00 64.21 C ATOM 1058 C ASP A 69 -1.647 -4.723 -4.104 1.00 21.34 C ATOM 1059 O ASP A 69 -2.357 -4.548 -5.092 1.00 72.44 O ATOM 1060 CB ASP A 69 -0.994 -7.128 -3.827 1.00 72.03 C ATOM 1061 CG ASP A 69 -1.105 -8.399 -3.007 1.00 23.34 C ATOM 1062 OD1 ASP A 69 -0.613 -8.418 -1.862 1.00 4.40 O ATOM 1063 OD2 ASP A 69 -1.695 -9.389 -3.499 1.00 42.03 O ATOM 0 H ASP A 69 -3.593 -6.829 -3.977 1.00 35.20 H new ATOM 0 HA ASP A 69 -1.454 -5.762 -2.232 1.00 64.21 H new ATOM 0 HB2 ASP A 69 -1.329 -7.326 -4.845 1.00 72.03 H new ATOM 0 HB3 ASP A 69 0.052 -6.829 -3.888 1.00 72.03 H new ATOM 1068 N PHE A 70 -0.712 -3.850 -3.740 1.00 2.11 N ATOM 1069 CA PHE A 70 -0.490 -2.614 -4.497 1.00 1.02 C ATOM 1070 C PHE A 70 1.006 -2.280 -4.635 1.00 44.44 C ATOM 1071 O PHE A 70 1.794 -2.514 -3.714 1.00 4.43 O ATOM 1072 CB PHE A 70 -1.237 -1.441 -3.836 1.00 35.12 C ATOM 1073 CG PHE A 70 -0.773 -1.122 -2.434 1.00 40.51 C ATOM 1074 CD1 PHE A 70 -1.320 -1.778 -1.339 1.00 22.14 C ATOM 1075 CD2 PHE A 70 0.209 -0.165 -2.210 1.00 22.12 C ATOM 1076 CE1 PHE A 70 -0.899 -1.486 -0.056 1.00 43.43 C ATOM 1077 CE2 PHE A 70 0.632 0.130 -0.929 1.00 2.42 C ATOM 1078 CZ PHE A 70 0.080 -0.532 0.149 1.00 33.25 C ATOM 0 H PHE A 70 -0.099 -3.970 -2.934 1.00 2.11 H new ATOM 0 HA PHE A 70 -0.884 -2.773 -5.501 1.00 1.02 H new ATOM 0 HB2 PHE A 70 -1.118 -0.553 -4.457 1.00 35.12 H new ATOM 0 HB3 PHE A 70 -2.302 -1.671 -3.810 1.00 35.12 H new ATOM 0 HD1 PHE A 70 -2.084 -2.526 -1.492 1.00 22.14 H new ATOM 0 HD2 PHE A 70 0.647 0.355 -3.049 1.00 22.12 H new ATOM 0 HE1 PHE A 70 -1.335 -2.003 0.786 1.00 43.43 H new ATOM 0 HE2 PHE A 70 1.394 0.878 -0.771 1.00 2.42 H new ATOM 0 HZ PHE A 70 0.412 -0.305 1.151 1.00 33.25 H new ATOM 1088 N PRO A 71 1.415 -1.737 -5.800 1.00 42.14 N ATOM 1089 CA PRO A 71 2.789 -1.262 -6.020 1.00 53.44 C ATOM 1090 C PRO A 71 3.085 0.042 -5.256 1.00 15.44 C ATOM 1091 O PRO A 71 2.460 1.081 -5.499 1.00 43.10 O ATOM 1092 CB PRO A 71 2.863 -1.033 -7.546 1.00 23.44 C ATOM 1093 CG PRO A 71 1.612 -1.637 -8.105 1.00 20.43 C ATOM 1094 CD PRO A 71 0.590 -1.572 -7.005 1.00 32.25 C ATOM 0 HA PRO A 71 3.527 -1.977 -5.656 1.00 53.44 H new ATOM 0 HB2 PRO A 71 2.924 0.030 -7.780 1.00 23.44 H new ATOM 0 HB3 PRO A 71 3.749 -1.504 -7.971 1.00 23.44 H new ATOM 0 HG2 PRO A 71 1.274 -1.089 -8.984 1.00 20.43 H new ATOM 0 HG3 PRO A 71 1.783 -2.667 -8.418 1.00 20.43 H new ATOM 0 HD2 PRO A 71 0.054 -0.623 -7.004 1.00 32.25 H new ATOM 0 HD3 PRO A 71 -0.157 -2.360 -7.097 1.00 32.25 H new ATOM 1102 N GLY A 72 4.052 -0.015 -4.341 1.00 41.44 N ATOM 1103 CA GLY A 72 4.383 1.138 -3.505 1.00 32.11 C ATOM 1104 C GLY A 72 4.838 2.373 -4.282 1.00 22.24 C ATOM 1105 O GLY A 72 4.888 3.471 -3.730 1.00 71.04 O ATOM 0 H GLY A 72 4.618 -0.844 -4.160 1.00 41.44 H new ATOM 0 HA2 GLY A 72 3.510 1.401 -2.908 1.00 32.11 H new ATOM 0 HA3 GLY A 72 5.171 0.852 -2.808 1.00 32.11 H new ATOM 1109 N THR A 73 5.170 2.202 -5.561 1.00 3.11 N ATOM 1110 CA THR A 73 5.618 3.322 -6.403 1.00 20.55 C ATOM 1111 C THR A 73 4.473 4.294 -6.756 1.00 51.20 C ATOM 1112 O THR A 73 4.705 5.333 -7.372 1.00 72.41 O ATOM 1113 CB THR A 73 6.281 2.817 -7.710 1.00 34.12 C ATOM 1114 OG1 THR A 73 6.799 3.920 -8.476 1.00 11.03 O ATOM 1115 CG2 THR A 73 5.296 2.025 -8.561 1.00 31.42 C ATOM 0 H THR A 73 5.139 1.302 -6.041 1.00 3.11 H new ATOM 0 HA THR A 73 6.353 3.865 -5.809 1.00 20.55 H new ATOM 0 HB THR A 73 7.102 2.159 -7.425 1.00 34.12 H new ATOM 0 HG1 THR A 73 6.302 4.735 -8.253 1.00 11.03 H new ATOM 0 HG21 THR A 73 5.792 1.685 -9.470 1.00 31.42 H new ATOM 0 HG22 THR A 73 4.940 1.162 -7.998 1.00 31.42 H new ATOM 0 HG23 THR A 73 4.450 2.660 -8.825 1.00 31.42 H new ATOM 1123 N TYR A 74 3.239 3.955 -6.373 1.00 43.12 N ATOM 1124 CA TYR A 74 2.078 4.823 -6.637 1.00 40.33 C ATOM 1125 C TYR A 74 1.508 5.438 -5.346 1.00 3.11 C ATOM 1126 O TYR A 74 0.525 6.182 -5.390 1.00 40.23 O ATOM 1127 CB TYR A 74 0.972 4.035 -7.356 1.00 61.33 C ATOM 1128 CG TYR A 74 1.387 3.490 -8.710 1.00 24.32 C ATOM 1129 CD1 TYR A 74 1.469 4.322 -9.822 1.00 31.13 C ATOM 1130 CD2 TYR A 74 1.695 2.144 -8.876 1.00 40.32 C ATOM 1131 CE1 TYR A 74 1.848 3.830 -11.055 1.00 74.01 C ATOM 1132 CE2 TYR A 74 2.079 1.647 -10.106 1.00 5.32 C ATOM 1133 CZ TYR A 74 2.152 2.493 -11.192 1.00 51.04 C ATOM 1134 OH TYR A 74 2.536 1.999 -12.419 1.00 60.22 O ATOM 0 H TYR A 74 3.014 3.090 -5.881 1.00 43.12 H new ATOM 0 HA TYR A 74 2.428 5.636 -7.273 1.00 40.33 H new ATOM 0 HB2 TYR A 74 0.659 3.206 -6.722 1.00 61.33 H new ATOM 0 HB3 TYR A 74 0.104 4.682 -7.486 1.00 61.33 H new ATOM 0 HD1 TYR A 74 1.232 5.371 -9.719 1.00 31.13 H new ATOM 0 HD2 TYR A 74 1.633 1.477 -8.029 1.00 40.32 H new ATOM 0 HE1 TYR A 74 1.906 4.490 -11.908 1.00 74.01 H new ATOM 0 HE2 TYR A 74 2.321 0.600 -10.217 1.00 5.32 H new ATOM 0 HH TYR A 74 1.833 1.413 -12.770 1.00 60.22 H new ATOM 1144 N VAL A 75 2.122 5.140 -4.200 1.00 61.43 N ATOM 1145 CA VAL A 75 1.604 5.605 -2.905 1.00 12.32 C ATOM 1146 C VAL A 75 2.679 6.314 -2.062 1.00 12.13 C ATOM 1147 O VAL A 75 3.867 5.994 -2.146 1.00 30.20 O ATOM 1148 CB VAL A 75 1.014 4.432 -2.075 1.00 40.52 C ATOM 1149 CG1 VAL A 75 -0.106 3.727 -2.841 1.00 23.22 C ATOM 1150 CG2 VAL A 75 2.106 3.441 -1.674 1.00 21.33 C ATOM 0 H VAL A 75 2.974 4.582 -4.138 1.00 61.43 H new ATOM 0 HA VAL A 75 0.817 6.321 -3.141 1.00 12.32 H new ATOM 0 HB VAL A 75 0.587 4.850 -1.163 1.00 40.52 H new ATOM 0 HG11 VAL A 75 -0.501 2.910 -2.237 1.00 23.22 H new ATOM 0 HG12 VAL A 75 -0.903 4.438 -3.056 1.00 23.22 H new ATOM 0 HG13 VAL A 75 0.287 3.329 -3.777 1.00 23.22 H new ATOM 0 HG21 VAL A 75 1.666 2.630 -1.094 1.00 21.33 H new ATOM 0 HG22 VAL A 75 2.575 3.034 -2.570 1.00 21.33 H new ATOM 0 HG23 VAL A 75 2.857 3.952 -1.072 1.00 21.33 H new ATOM 1160 N GLU A 76 2.255 7.284 -1.256 1.00 60.33 N ATOM 1161 CA GLU A 76 3.150 7.950 -0.301 1.00 41.42 C ATOM 1162 C GLU A 76 2.981 7.356 1.109 1.00 63.42 C ATOM 1163 O GLU A 76 2.020 6.633 1.379 1.00 14.24 O ATOM 1164 CB GLU A 76 2.874 9.460 -0.252 1.00 40.31 C ATOM 1165 CG GLU A 76 1.535 9.822 0.391 1.00 53.01 C ATOM 1166 CD GLU A 76 1.360 11.318 0.614 1.00 62.51 C ATOM 1167 OE1 GLU A 76 2.182 11.914 1.346 1.00 33.54 O ATOM 1168 OE2 GLU A 76 0.396 11.901 0.082 1.00 21.12 O ATOM 0 H GLU A 76 1.296 7.630 -1.242 1.00 60.33 H new ATOM 0 HA GLU A 76 4.173 7.786 -0.640 1.00 41.42 H new ATOM 0 HB2 GLU A 76 3.676 9.949 0.301 1.00 40.31 H new ATOM 0 HB3 GLU A 76 2.898 9.857 -1.267 1.00 40.31 H new ATOM 0 HG2 GLU A 76 0.726 9.459 -0.242 1.00 53.01 H new ATOM 0 HG3 GLU A 76 1.448 9.306 1.347 1.00 53.01 H new ATOM 1175 N PHE A 77 3.908 7.680 2.008 1.00 33.34 N ATOM 1176 CA PHE A 77 3.838 7.213 3.397 1.00 74.34 C ATOM 1177 C PHE A 77 3.259 8.303 4.317 1.00 33.41 C ATOM 1178 O PHE A 77 3.777 9.421 4.380 1.00 63.21 O ATOM 1179 CB PHE A 77 5.236 6.793 3.879 1.00 51.11 C ATOM 1180 CG PHE A 77 5.278 6.287 5.303 1.00 52.35 C ATOM 1181 CD1 PHE A 77 4.528 5.182 5.685 1.00 63.42 C ATOM 1182 CD2 PHE A 77 6.072 6.911 6.255 1.00 55.31 C ATOM 1183 CE1 PHE A 77 4.573 4.714 6.984 1.00 62.34 C ATOM 1184 CE2 PHE A 77 6.121 6.443 7.554 1.00 22.43 C ATOM 1185 CZ PHE A 77 5.370 5.344 7.919 1.00 2.24 C ATOM 0 H PHE A 77 4.718 8.264 1.802 1.00 33.34 H new ATOM 0 HA PHE A 77 3.173 6.351 3.438 1.00 74.34 H new ATOM 0 HB2 PHE A 77 5.617 6.014 3.218 1.00 51.11 H new ATOM 0 HB3 PHE A 77 5.910 7.645 3.789 1.00 51.11 H new ATOM 0 HD1 PHE A 77 3.903 4.683 4.959 1.00 63.42 H new ATOM 0 HD2 PHE A 77 6.659 7.774 5.977 1.00 55.31 H new ATOM 0 HE1 PHE A 77 3.984 3.854 7.268 1.00 62.34 H new ATOM 0 HE2 PHE A 77 6.746 6.937 8.283 1.00 22.43 H new ATOM 0 HZ PHE A 77 5.406 4.977 8.934 1.00 2.24 H new ATOM 1195 N LEU A 78 2.176 7.973 5.023 1.00 51.13 N ATOM 1196 CA LEU A 78 1.527 8.919 5.943 1.00 12.40 C ATOM 1197 C LEU A 78 2.042 8.743 7.383 1.00 30.41 C ATOM 1198 O LEU A 78 2.374 9.720 8.063 1.00 61.15 O ATOM 1199 CB LEU A 78 0.002 8.728 5.904 1.00 43.42 C ATOM 1200 CG LEU A 78 -0.641 8.851 4.509 1.00 71.15 C ATOM 1201 CD1 LEU A 78 -2.149 8.617 4.586 1.00 64.45 C ATOM 1202 CD2 LEU A 78 -0.334 10.211 3.886 1.00 21.34 C ATOM 0 H LEU A 78 1.727 7.058 4.978 1.00 51.13 H new ATOM 0 HA LEU A 78 1.775 9.929 5.617 1.00 12.40 H new ATOM 0 HB2 LEU A 78 -0.235 7.745 6.310 1.00 43.42 H new ATOM 0 HB3 LEU A 78 -0.457 9.464 6.564 1.00 43.42 H new ATOM 0 HG LEU A 78 -0.210 8.082 3.868 1.00 71.15 H new ATOM 0 HD11 LEU A 78 -2.583 8.709 3.590 1.00 64.45 H new ATOM 0 HD12 LEU A 78 -2.343 7.618 4.976 1.00 64.45 H new ATOM 0 HD13 LEU A 78 -2.599 9.358 5.247 1.00 64.45 H new ATOM 0 HD21 LEU A 78 -0.799 10.274 2.902 1.00 21.34 H new ATOM 0 HD22 LEU A 78 -0.729 11.001 4.525 1.00 21.34 H new ATOM 0 HD23 LEU A 78 0.745 10.330 3.786 1.00 21.34 H new ATOM 1214 N GLY A 79 2.101 7.492 7.840 1.00 13.50 N ATOM 1215 CA GLY A 79 2.592 7.198 9.185 1.00 23.34 C ATOM 1216 C GLY A 79 1.803 6.094 9.887 1.00 21.30 C ATOM 1217 O GLY A 79 0.863 5.537 9.316 1.00 32.34 O ATOM 0 H GLY A 79 1.817 6.672 7.303 1.00 13.50 H new ATOM 0 HA2 GLY A 79 3.640 6.905 9.126 1.00 23.34 H new ATOM 0 HA3 GLY A 79 2.548 8.106 9.787 1.00 23.34 H new ATOM 1221 N PRO A 80 2.168 5.746 11.136 1.00 2.34 N ATOM 1222 CA PRO A 80 1.447 4.727 11.915 1.00 22.32 C ATOM 1223 C PRO A 80 0.068 5.217 12.391 1.00 5.21 C ATOM 1224 O PRO A 80 -0.101 6.385 12.750 1.00 3.12 O ATOM 1225 CB PRO A 80 2.380 4.472 13.107 1.00 3.54 C ATOM 1226 CG PRO A 80 3.140 5.747 13.273 1.00 63.21 C ATOM 1227 CD PRO A 80 3.306 6.318 11.886 1.00 63.20 C ATOM 0 HA PRO A 80 1.234 3.834 11.327 1.00 22.32 H new ATOM 0 HB2 PRO A 80 1.815 4.228 14.007 1.00 3.54 H new ATOM 0 HB3 PRO A 80 3.050 3.634 12.914 1.00 3.54 H new ATOM 0 HG2 PRO A 80 2.601 6.441 13.918 1.00 63.21 H new ATOM 0 HG3 PRO A 80 4.109 5.566 13.738 1.00 63.21 H new ATOM 0 HD2 PRO A 80 3.274 7.407 11.894 1.00 63.20 H new ATOM 0 HD3 PRO A 80 4.261 6.031 11.446 1.00 63.20 H new ATOM 1235 N LEU A 81 -0.917 4.319 12.395 1.00 33.03 N ATOM 1236 CA LEU A 81 -2.284 4.675 12.806 1.00 51.50 C ATOM 1237 C LEU A 81 -2.357 4.995 14.304 1.00 33.11 C ATOM 1238 O LEU A 81 -1.818 4.263 15.134 1.00 3.21 O ATOM 1239 CB LEU A 81 -3.274 3.545 12.477 1.00 74.32 C ATOM 1240 CG LEU A 81 -3.502 3.270 10.981 1.00 31.54 C ATOM 1241 CD1 LEU A 81 -2.304 2.569 10.352 1.00 74.05 C ATOM 1242 CD2 LEU A 81 -4.770 2.454 10.772 1.00 2.41 C ATOM 0 H LEU A 81 -0.800 3.344 12.121 1.00 33.03 H new ATOM 0 HA LEU A 81 -2.560 5.567 12.244 1.00 51.50 H new ATOM 0 HB2 LEU A 81 -2.918 2.628 12.946 1.00 74.32 H new ATOM 0 HB3 LEU A 81 -4.234 3.784 12.934 1.00 74.32 H new ATOM 0 HG LEU A 81 -3.621 4.232 10.483 1.00 31.54 H new ATOM 0 HD11 LEU A 81 -2.501 2.391 9.295 1.00 74.05 H new ATOM 0 HD12 LEU A 81 -1.419 3.197 10.456 1.00 74.05 H new ATOM 0 HD13 LEU A 81 -2.134 1.617 10.855 1.00 74.05 H new ATOM 0 HD21 LEU A 81 -4.913 2.270 9.707 1.00 2.41 H new ATOM 0 HD22 LEU A 81 -4.681 1.502 11.296 1.00 2.41 H new ATOM 0 HD23 LEU A 81 -5.626 3.004 11.163 1.00 2.41 H new ATOM 1254 N GLU A 82 -3.031 6.089 14.645 1.00 52.21 N ATOM 1255 CA GLU A 82 -3.201 6.482 16.047 1.00 75.55 C ATOM 1256 C GLU A 82 -4.557 5.992 16.601 1.00 20.52 C ATOM 1257 O GLU A 82 -5.581 6.686 16.404 1.00 38.01 O ATOM 1258 CB GLU A 82 -3.061 8.006 16.194 1.00 34.43 C ATOM 1259 CG GLU A 82 -2.964 8.477 17.641 1.00 11.23 C ATOM 1260 CD GLU A 82 -1.781 7.862 18.377 1.00 5.24 C ATOM 1261 OE1 GLU A 82 -0.664 8.417 18.295 1.00 53.31 O ATOM 1262 OE2 GLU A 82 -1.960 6.815 19.033 1.00 40.40 O ATOM 0 H GLU A 82 -3.469 6.720 13.974 1.00 52.21 H new ATOM 0 HA GLU A 82 -2.416 6.007 16.635 1.00 75.55 H new ATOM 0 HB2 GLU A 82 -2.172 8.334 15.654 1.00 34.43 H new ATOM 0 HB3 GLU A 82 -3.917 8.488 15.721 1.00 34.43 H new ATOM 0 HG2 GLU A 82 -2.875 9.563 17.661 1.00 11.23 H new ATOM 0 HG3 GLU A 82 -3.885 8.223 18.165 1.00 11.23 H new TER 1269 GLU A 82