USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=10 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= -0.473 K(o=-0.47,f=-8.4!) USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0516 (180deg=-0.0413) USER MOD Single : A 8 GLN : amide:sc= -0.078 K(o=-0.078,f=-0.63) USER MOD Single : A 9 TYR OH : rot -148:sc= 0.528 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= -0.0411 X(o=-0.041,f=-0.049) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.938 K(o=0.94,f=-6.6!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -104:sc= -1.53 (180deg=-3.5!) USER MOD Single : A 66 GLN : amide:sc= 0.00811 X(o=0.0081,f=-0.34) USER MOD Single : A 73 THR OG1 : rot -21:sc= 0.191 USER MOD Single : A 74 TYR OH : rot -114:sc= 0.0952 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.954 3.642 25.988 1.00 15.12 N ATOM 2 CA MET A 1 2.815 3.572 25.031 1.00 44.32 C ATOM 3 C MET A 1 2.655 2.158 24.457 1.00 43.34 C ATOM 4 O MET A 1 3.581 1.347 24.514 1.00 1.23 O ATOM 5 CB MET A 1 3.012 4.585 23.895 1.00 43.23 C ATOM 6 CG MET A 1 2.945 6.032 24.356 1.00 42.51 C ATOM 7 SD MET A 1 1.373 6.413 25.151 1.00 34.12 S ATOM 8 CE MET A 1 1.615 8.135 25.585 1.00 71.44 C ATOM 0 H1 MET A 1 3.602 3.918 26.927 1.00 15.12 H new ATOM 0 H2 MET A 1 4.413 2.711 26.050 1.00 15.12 H new ATOM 0 H3 MET A 1 4.644 4.346 25.656 1.00 15.12 H new ATOM 0 HA MET A 1 1.904 3.820 25.576 1.00 44.32 H new ATOM 0 HB2 MET A 1 3.978 4.407 23.423 1.00 43.23 H new ATOM 0 HB3 MET A 1 2.250 4.419 23.134 1.00 43.23 H new ATOM 0 HG2 MET A 1 3.761 6.229 25.052 1.00 42.51 H new ATOM 0 HG3 MET A 1 3.089 6.692 23.501 1.00 42.51 H new ATOM 0 HE1 MET A 1 0.724 8.513 26.086 1.00 71.44 H new ATOM 0 HE2 MET A 1 2.472 8.225 26.252 1.00 71.44 H new ATOM 0 HE3 MET A 1 1.796 8.716 24.681 1.00 71.44 H new ATOM 20 N ALA A 2 1.476 1.869 23.903 1.00 11.31 N ATOM 21 CA ALA A 2 1.169 0.534 23.368 1.00 44.51 C ATOM 22 C ALA A 2 2.117 0.133 22.222 1.00 54.32 C ATOM 23 O ALA A 2 2.961 -0.750 22.383 1.00 61.01 O ATOM 24 CB ALA A 2 -0.284 0.476 22.909 1.00 25.43 C ATOM 0 H ALA A 2 0.714 2.541 23.811 1.00 11.31 H new ATOM 0 HA ALA A 2 1.321 -0.186 24.172 1.00 44.51 H new ATOM 0 HB1 ALA A 2 -0.502 -0.517 22.514 1.00 25.43 H new ATOM 0 HB2 ALA A 2 -0.941 0.683 23.754 1.00 25.43 H new ATOM 0 HB3 ALA A 2 -0.450 1.220 22.130 1.00 25.43 H new ATOM 30 N GLY A 3 1.968 0.771 21.064 1.00 43.21 N ATOM 31 CA GLY A 3 2.848 0.483 19.935 1.00 1.44 C ATOM 32 C GLY A 3 2.271 0.922 18.591 1.00 5.03 C ATOM 33 O GLY A 3 1.173 1.482 18.536 1.00 43.24 O ATOM 0 H GLY A 3 1.258 1.480 20.884 1.00 43.21 H new ATOM 0 HA2 GLY A 3 3.804 0.982 20.092 1.00 1.44 H new ATOM 0 HA3 GLY A 3 3.049 -0.588 19.904 1.00 1.44 H new ATOM 37 N PRO A 4 3.012 0.718 17.485 1.00 15.54 N ATOM 38 CA PRO A 4 2.538 1.027 16.135 1.00 64.41 C ATOM 39 C PRO A 4 1.911 -0.188 15.422 1.00 5.45 C ATOM 40 O PRO A 4 2.608 -0.953 14.756 1.00 1.13 O ATOM 41 CB PRO A 4 3.833 1.466 15.442 1.00 32.41 C ATOM 42 CG PRO A 4 4.921 0.666 16.108 1.00 35.33 C ATOM 43 CD PRO A 4 4.391 0.205 17.455 1.00 14.25 C ATOM 0 HA PRO A 4 1.742 1.772 16.127 1.00 64.41 H new ATOM 0 HB2 PRO A 4 3.795 1.266 14.371 1.00 32.41 H new ATOM 0 HB3 PRO A 4 4.001 2.536 15.561 1.00 32.41 H new ATOM 0 HG2 PRO A 4 5.199 -0.190 15.492 1.00 35.33 H new ATOM 0 HG3 PRO A 4 5.818 1.272 16.236 1.00 35.33 H new ATOM 0 HD2 PRO A 4 4.416 -0.881 17.544 1.00 14.25 H new ATOM 0 HD3 PRO A 4 4.985 0.606 18.277 1.00 14.25 H new ATOM 51 N GLU A 5 0.596 -0.360 15.568 1.00 52.13 N ATOM 52 CA GLU A 5 -0.123 -1.488 14.948 1.00 42.41 C ATOM 53 C GLU A 5 0.052 -1.526 13.423 1.00 23.35 C ATOM 54 O GLU A 5 0.025 -2.598 12.810 1.00 4.11 O ATOM 55 CB GLU A 5 -1.622 -1.433 15.305 1.00 14.00 C ATOM 56 CG GLU A 5 -1.974 -2.071 16.650 1.00 52.44 C ATOM 57 CD GLU A 5 -1.114 -1.579 17.803 1.00 31.30 C ATOM 58 OE1 GLU A 5 -1.382 -0.474 18.322 1.00 33.45 O ATOM 59 OE2 GLU A 5 -0.167 -2.298 18.192 1.00 4.33 O ATOM 0 H GLU A 5 0.001 0.266 16.111 1.00 52.13 H new ATOM 0 HA GLU A 5 0.314 -2.402 15.350 1.00 42.41 H new ATOM 0 HB2 GLU A 5 -1.943 -0.391 15.316 1.00 14.00 H new ATOM 0 HB3 GLU A 5 -2.189 -1.933 14.520 1.00 14.00 H new ATOM 0 HG2 GLU A 5 -3.021 -1.867 16.876 1.00 52.44 H new ATOM 0 HG3 GLU A 5 -1.871 -3.153 16.567 1.00 52.44 H new ATOM 66 N GLY A 6 0.234 -0.364 12.812 1.00 61.31 N ATOM 67 CA GLY A 6 0.450 -0.302 11.375 1.00 5.22 C ATOM 68 C GLY A 6 0.632 1.115 10.854 1.00 73.04 C ATOM 69 O GLY A 6 0.706 2.072 11.632 1.00 52.14 O ATOM 0 H GLY A 6 0.236 0.540 13.284 1.00 61.31 H new ATOM 0 HA2 GLY A 6 1.332 -0.891 11.122 1.00 5.22 H new ATOM 0 HA3 GLY A 6 -0.398 -0.762 10.867 1.00 5.22 H new ATOM 73 N PHE A 7 0.684 1.252 9.534 1.00 61.04 N ATOM 74 CA PHE A 7 0.905 2.549 8.887 1.00 50.25 C ATOM 75 C PHE A 7 -0.151 2.821 7.802 1.00 1.41 C ATOM 76 O PHE A 7 -0.941 1.942 7.447 1.00 64.11 O ATOM 77 CB PHE A 7 2.314 2.602 8.277 1.00 25.24 C ATOM 78 CG PHE A 7 3.417 2.403 9.288 1.00 21.44 C ATOM 79 CD1 PHE A 7 3.835 3.453 10.095 1.00 64.01 C ATOM 80 CD2 PHE A 7 4.034 1.167 9.435 1.00 51.44 C ATOM 81 CE1 PHE A 7 4.844 3.276 11.024 1.00 43.42 C ATOM 82 CE2 PHE A 7 5.045 0.985 10.363 1.00 3.10 C ATOM 83 CZ PHE A 7 5.448 2.041 11.158 1.00 11.11 C ATOM 0 H PHE A 7 0.575 0.475 8.882 1.00 61.04 H new ATOM 0 HA PHE A 7 0.813 3.324 9.648 1.00 50.25 H new ATOM 0 HB2 PHE A 7 2.396 1.836 7.506 1.00 25.24 H new ATOM 0 HB3 PHE A 7 2.452 3.565 7.785 1.00 25.24 H new ATOM 0 HD1 PHE A 7 3.366 4.421 9.996 1.00 64.01 H new ATOM 0 HD2 PHE A 7 3.721 0.338 8.818 1.00 51.44 H new ATOM 0 HE1 PHE A 7 5.159 4.102 11.644 1.00 43.42 H new ATOM 0 HE2 PHE A 7 5.518 0.019 10.465 1.00 3.10 H new ATOM 0 HZ PHE A 7 6.235 1.901 11.884 1.00 11.11 H new ATOM 93 N GLN A 8 -0.153 4.044 7.276 1.00 51.33 N ATOM 94 CA GLN A 8 -1.131 4.461 6.264 1.00 42.54 C ATOM 95 C GLN A 8 -0.453 5.114 5.050 1.00 15.23 C ATOM 96 O GLN A 8 0.468 5.924 5.191 1.00 21.12 O ATOM 97 CB GLN A 8 -2.146 5.438 6.885 1.00 14.45 C ATOM 98 CG GLN A 8 -3.020 4.813 7.965 1.00 42.54 C ATOM 99 CD GLN A 8 -4.024 5.786 8.563 1.00 32.34 C ATOM 100 OE1 GLN A 8 -3.791 6.989 8.625 1.00 12.11 O ATOM 101 NE2 GLN A 8 -5.146 5.268 9.019 1.00 53.32 N ATOM 0 H GLN A 8 0.515 4.770 7.534 1.00 51.33 H new ATOM 0 HA GLN A 8 -1.648 3.567 5.915 1.00 42.54 H new ATOM 0 HB2 GLN A 8 -1.607 6.284 7.311 1.00 14.45 H new ATOM 0 HB3 GLN A 8 -2.786 5.832 6.096 1.00 14.45 H new ATOM 0 HG2 GLN A 8 -3.556 3.963 7.543 1.00 42.54 H new ATOM 0 HG3 GLN A 8 -2.382 4.425 8.760 1.00 42.54 H new ATOM 0 HE21 GLN A 8 -5.308 4.263 8.952 1.00 53.32 H new ATOM 0 HE22 GLN A 8 -5.853 5.872 9.439 1.00 53.32 H new ATOM 110 N TYR A 9 -0.917 4.746 3.859 1.00 31.45 N ATOM 111 CA TYR A 9 -0.436 5.336 2.606 1.00 62.32 C ATOM 112 C TYR A 9 -1.571 6.093 1.893 1.00 3.40 C ATOM 113 O TYR A 9 -2.729 6.005 2.293 1.00 63.25 O ATOM 114 CB TYR A 9 0.116 4.242 1.681 1.00 71.32 C ATOM 115 CG TYR A 9 1.306 3.484 2.248 1.00 32.15 C ATOM 116 CD1 TYR A 9 1.127 2.351 3.037 1.00 24.42 C ATOM 117 CD2 TYR A 9 2.608 3.894 1.980 1.00 41.42 C ATOM 118 CE1 TYR A 9 2.209 1.651 3.538 1.00 3.34 C ATOM 119 CE2 TYR A 9 3.696 3.201 2.480 1.00 14.03 C ATOM 120 CZ TYR A 9 3.491 2.080 3.258 1.00 10.42 C ATOM 121 OH TYR A 9 4.571 1.379 3.749 1.00 20.24 O ATOM 0 H TYR A 9 -1.635 4.033 3.732 1.00 31.45 H new ATOM 0 HA TYR A 9 0.361 6.040 2.844 1.00 62.32 H new ATOM 0 HB2 TYR A 9 -0.681 3.532 1.462 1.00 71.32 H new ATOM 0 HB3 TYR A 9 0.407 4.696 0.734 1.00 71.32 H new ATOM 0 HD1 TYR A 9 0.126 2.013 3.262 1.00 24.42 H new ATOM 0 HD2 TYR A 9 2.773 4.770 1.370 1.00 41.42 H new ATOM 0 HE1 TYR A 9 2.052 0.772 4.146 1.00 3.34 H new ATOM 0 HE2 TYR A 9 4.700 3.535 2.263 1.00 14.03 H new ATOM 0 HH TYR A 9 5.307 1.999 3.932 1.00 20.24 H new ATOM 131 N ARG A 10 -1.234 6.836 0.842 1.00 63.13 N ATOM 132 CA ARG A 10 -2.247 7.533 0.031 1.00 40.31 C ATOM 133 C ARG A 10 -1.968 7.369 -1.471 1.00 1.25 C ATOM 134 O ARG A 10 -0.856 7.633 -1.935 1.00 53.54 O ATOM 135 CB ARG A 10 -2.289 9.028 0.381 1.00 13.24 C ATOM 136 CG ARG A 10 -3.305 9.823 -0.440 1.00 54.31 C ATOM 137 CD ARG A 10 -3.201 11.322 -0.182 1.00 53.45 C ATOM 138 NE ARG A 10 -3.510 11.669 1.203 1.00 12.10 N ATOM 139 CZ ARG A 10 -2.794 12.474 1.939 1.00 14.22 C ATOM 140 NH1 ARG A 10 -1.690 12.978 1.492 1.00 41.35 N ATOM 141 NH2 ARG A 10 -3.174 12.751 3.140 1.00 15.31 N ATOM 0 H ARG A 10 -0.274 6.975 0.527 1.00 63.13 H new ATOM 0 HA ARG A 10 -3.213 7.082 0.259 1.00 40.31 H new ATOM 0 HB2 ARG A 10 -2.525 9.138 1.440 1.00 13.24 H new ATOM 0 HB3 ARG A 10 -1.298 9.456 0.229 1.00 13.24 H new ATOM 0 HG2 ARG A 10 -3.148 9.626 -1.500 1.00 54.31 H new ATOM 0 HG3 ARG A 10 -4.312 9.483 -0.199 1.00 54.31 H new ATOM 0 HD2 ARG A 10 -2.193 11.661 -0.423 1.00 53.45 H new ATOM 0 HD3 ARG A 10 -3.883 11.851 -0.848 1.00 53.45 H new ATOM 0 HE ARG A 10 -4.342 11.254 1.623 1.00 12.10 H new ATOM 0 HH11 ARG A 10 -1.368 12.748 0.552 1.00 41.35 H new ATOM 0 HH12 ARG A 10 -1.141 13.606 2.079 1.00 41.35 H new ATOM 0 HH21 ARG A 10 -4.031 12.341 3.511 1.00 15.31 H new ATOM 0 HH22 ARG A 10 -2.617 13.380 3.719 1.00 15.31 H new ATOM 155 N ALA A 11 -2.983 6.943 -2.226 1.00 34.41 N ATOM 156 CA ALA A 11 -2.858 6.782 -3.679 1.00 33.13 C ATOM 157 C ALA A 11 -2.650 8.131 -4.389 1.00 63.12 C ATOM 158 O ALA A 11 -3.536 8.993 -4.387 1.00 1.33 O ATOM 159 CB ALA A 11 -4.086 6.072 -4.235 1.00 41.34 C ATOM 0 H ALA A 11 -3.903 6.703 -1.856 1.00 34.41 H new ATOM 0 HA ALA A 11 -1.974 6.174 -3.871 1.00 33.13 H new ATOM 0 HB1 ALA A 11 -3.983 5.958 -5.314 1.00 41.34 H new ATOM 0 HB2 ALA A 11 -4.178 5.089 -3.773 1.00 41.34 H new ATOM 0 HB3 ALA A 11 -4.977 6.661 -4.016 1.00 41.34 H new ATOM 165 N LEU A 12 -1.475 8.301 -4.996 1.00 11.14 N ATOM 166 CA LEU A 12 -1.122 9.551 -5.683 1.00 13.40 C ATOM 167 C LEU A 12 -1.723 9.608 -7.097 1.00 43.23 C ATOM 168 O LEU A 12 -2.476 10.527 -7.424 1.00 71.22 O ATOM 169 CB LEU A 12 0.408 9.702 -5.755 1.00 61.54 C ATOM 170 CG LEU A 12 1.125 9.731 -4.396 1.00 75.41 C ATOM 171 CD1 LEU A 12 2.632 9.872 -4.583 1.00 13.11 C ATOM 172 CD2 LEU A 12 0.581 10.860 -3.525 1.00 30.14 C ATOM 0 H LEU A 12 -0.747 7.588 -5.028 1.00 11.14 H new ATOM 0 HA LEU A 12 -1.541 10.376 -5.107 1.00 13.40 H new ATOM 0 HB2 LEU A 12 0.812 8.878 -6.344 1.00 61.54 H new ATOM 0 HB3 LEU A 12 0.642 10.622 -6.291 1.00 61.54 H new ATOM 0 HG LEU A 12 0.933 8.785 -3.889 1.00 75.41 H new ATOM 0 HD11 LEU A 12 3.119 9.890 -3.608 1.00 13.11 H new ATOM 0 HD12 LEU A 12 3.008 9.027 -5.161 1.00 13.11 H new ATOM 0 HD13 LEU A 12 2.848 10.799 -5.114 1.00 13.11 H new ATOM 0 HD21 LEU A 12 1.101 10.864 -2.567 1.00 30.14 H new ATOM 0 HD22 LEU A 12 0.738 11.815 -4.027 1.00 30.14 H new ATOM 0 HD23 LEU A 12 -0.485 10.709 -3.358 1.00 30.14 H new ATOM 184 N TYR A 13 -1.381 8.629 -7.929 1.00 33.52 N ATOM 185 CA TYR A 13 -1.894 8.554 -9.304 1.00 34.15 C ATOM 186 C TYR A 13 -2.765 7.306 -9.505 1.00 73.25 C ATOM 187 O TYR A 13 -2.547 6.281 -8.857 1.00 24.20 O ATOM 188 CB TYR A 13 -0.732 8.553 -10.310 1.00 24.24 C ATOM 189 CG TYR A 13 -0.069 9.906 -10.468 1.00 33.20 C ATOM 190 CD1 TYR A 13 -0.529 10.816 -11.415 1.00 34.40 C ATOM 191 CD2 TYR A 13 1.010 10.277 -9.673 1.00 71.23 C ATOM 192 CE1 TYR A 13 0.061 12.054 -11.560 1.00 63.20 C ATOM 193 CE2 TYR A 13 1.607 11.515 -9.817 1.00 62.40 C ATOM 194 CZ TYR A 13 1.128 12.398 -10.762 1.00 51.33 C ATOM 195 OH TYR A 13 1.712 13.638 -10.903 1.00 15.11 O ATOM 0 H TYR A 13 -0.747 7.870 -7.678 1.00 33.52 H new ATOM 0 HA TYR A 13 -2.514 9.433 -9.477 1.00 34.15 H new ATOM 0 HB2 TYR A 13 0.015 7.826 -9.990 1.00 24.24 H new ATOM 0 HB3 TYR A 13 -1.102 8.223 -11.281 1.00 24.24 H new ATOM 0 HD1 TYR A 13 -1.363 10.548 -12.047 1.00 34.40 H new ATOM 0 HD2 TYR A 13 1.387 9.587 -8.932 1.00 71.23 H new ATOM 0 HE1 TYR A 13 -0.313 12.750 -12.296 1.00 63.20 H new ATOM 0 HE2 TYR A 13 2.444 11.790 -9.193 1.00 62.40 H new ATOM 0 HH TYR A 13 2.451 13.726 -10.266 1.00 15.11 H new ATOM 205 N PRO A 14 -3.764 7.370 -10.413 1.00 75.10 N ATOM 206 CA PRO A 14 -4.656 6.231 -10.677 1.00 41.30 C ATOM 207 C PRO A 14 -3.950 5.086 -11.419 1.00 72.32 C ATOM 208 O PRO A 14 -3.501 5.242 -12.559 1.00 53.33 O ATOM 209 CB PRO A 14 -5.765 6.840 -11.547 1.00 3.35 C ATOM 210 CG PRO A 14 -5.123 8.010 -12.217 1.00 14.41 C ATOM 211 CD PRO A 14 -4.106 8.546 -11.241 1.00 64.44 C ATOM 0 HA PRO A 14 -5.021 5.779 -9.754 1.00 41.30 H new ATOM 0 HB2 PRO A 14 -6.136 6.120 -12.277 1.00 3.35 H new ATOM 0 HB3 PRO A 14 -6.618 7.149 -10.942 1.00 3.35 H new ATOM 0 HG2 PRO A 14 -4.647 7.711 -13.151 1.00 14.41 H new ATOM 0 HG3 PRO A 14 -5.863 8.771 -12.466 1.00 14.41 H new ATOM 0 HD2 PRO A 14 -3.230 8.944 -11.753 1.00 64.44 H new ATOM 0 HD3 PRO A 14 -4.517 9.355 -10.637 1.00 64.44 H new ATOM 219 N PHE A 15 -3.883 3.926 -10.777 1.00 11.21 N ATOM 220 CA PHE A 15 -3.218 2.757 -11.352 1.00 3.52 C ATOM 221 C PHE A 15 -4.189 1.577 -11.472 1.00 72.34 C ATOM 222 O PHE A 15 -4.920 1.262 -10.529 1.00 0.12 O ATOM 223 CB PHE A 15 -2.011 2.358 -10.495 1.00 54.20 C ATOM 224 CG PHE A 15 -1.234 1.196 -11.058 1.00 3.24 C ATOM 225 CD1 PHE A 15 -0.363 1.383 -12.122 1.00 54.21 C ATOM 226 CD2 PHE A 15 -1.370 -0.077 -10.525 1.00 44.40 C ATOM 227 CE1 PHE A 15 0.355 0.323 -12.641 1.00 33.24 C ATOM 228 CE2 PHE A 15 -0.654 -1.139 -11.043 1.00 72.55 C ATOM 229 CZ PHE A 15 0.209 -0.937 -12.101 1.00 32.23 C ATOM 0 H PHE A 15 -4.283 3.767 -9.852 1.00 11.21 H new ATOM 0 HA PHE A 15 -2.874 3.021 -12.352 1.00 3.52 H new ATOM 0 HB2 PHE A 15 -1.346 3.216 -10.396 1.00 54.20 H new ATOM 0 HB3 PHE A 15 -2.355 2.104 -9.492 1.00 54.20 H new ATOM 0 HD1 PHE A 15 -0.245 2.368 -12.549 1.00 54.21 H new ATOM 0 HD2 PHE A 15 -2.043 -0.240 -9.696 1.00 44.40 H new ATOM 0 HE1 PHE A 15 1.030 0.481 -13.469 1.00 33.24 H new ATOM 0 HE2 PHE A 15 -0.769 -2.126 -10.620 1.00 72.55 H new ATOM 0 HZ PHE A 15 0.770 -1.766 -12.506 1.00 32.23 H new ATOM 239 N ARG A 16 -4.191 0.927 -12.633 1.00 53.21 N ATOM 240 CA ARG A 16 -5.086 -0.207 -12.887 1.00 54.24 C ATOM 241 C ARG A 16 -4.309 -1.448 -13.346 1.00 1.02 C ATOM 242 O ARG A 16 -3.180 -1.351 -13.829 1.00 32.43 O ATOM 243 CB ARG A 16 -6.135 0.168 -13.945 1.00 14.12 C ATOM 244 CG ARG A 16 -7.015 1.354 -13.555 1.00 24.32 C ATOM 245 CD ARG A 16 -8.062 1.650 -14.624 1.00 62.01 C ATOM 246 NE ARG A 16 -7.452 1.940 -15.922 1.00 65.23 N ATOM 247 CZ ARG A 16 -7.763 1.336 -17.039 1.00 4.21 C ATOM 248 NH1 ARG A 16 -8.656 0.400 -17.063 1.00 55.13 N ATOM 249 NH2 ARG A 16 -7.170 1.681 -18.135 1.00 41.31 N ATOM 0 H ARG A 16 -3.583 1.164 -13.417 1.00 53.21 H new ATOM 0 HA ARG A 16 -5.586 -0.447 -11.949 1.00 54.24 H new ATOM 0 HB2 ARG A 16 -5.626 0.399 -14.881 1.00 14.12 H new ATOM 0 HB3 ARG A 16 -6.771 -0.697 -14.133 1.00 14.12 H new ATOM 0 HG2 ARG A 16 -7.511 1.144 -12.607 1.00 24.32 H new ATOM 0 HG3 ARG A 16 -6.392 2.235 -13.401 1.00 24.32 H new ATOM 0 HD2 ARG A 16 -8.733 0.796 -14.721 1.00 62.01 H new ATOM 0 HD3 ARG A 16 -8.670 2.499 -14.311 1.00 62.01 H new ATOM 0 HE ARG A 16 -6.734 2.664 -15.958 1.00 65.23 H new ATOM 0 HH11 ARG A 16 -9.129 0.124 -16.202 1.00 55.13 H new ATOM 0 HH12 ARG A 16 -8.887 -0.062 -17.943 1.00 55.13 H new ATOM 0 HH21 ARG A 16 -6.466 2.419 -18.123 1.00 41.31 H new ATOM 0 HH22 ARG A 16 -7.406 1.215 -19.011 1.00 41.31 H new ATOM 263 N ARG A 17 -4.928 -2.612 -13.189 1.00 32.01 N ATOM 264 CA ARG A 17 -4.338 -3.883 -13.621 1.00 64.13 C ATOM 265 C ARG A 17 -5.278 -4.584 -14.613 1.00 53.30 C ATOM 266 O ARG A 17 -6.498 -4.487 -14.487 1.00 54.34 O ATOM 267 CB ARG A 17 -4.098 -4.784 -12.396 1.00 23.44 C ATOM 268 CG ARG A 17 -3.333 -6.078 -12.696 1.00 63.10 C ATOM 269 CD ARG A 17 -1.846 -5.978 -12.352 1.00 32.13 C ATOM 270 NE ARG A 17 -1.144 -4.961 -13.132 1.00 3.10 N ATOM 271 CZ ARG A 17 0.001 -4.437 -12.780 1.00 3.23 C ATOM 272 NH1 ARG A 17 0.546 -4.739 -11.642 1.00 52.03 N ATOM 273 NH2 ARG A 17 0.594 -3.595 -13.562 1.00 74.21 N ATOM 0 H ARG A 17 -5.849 -2.707 -12.761 1.00 32.01 H new ATOM 0 HA ARG A 17 -3.385 -3.689 -14.114 1.00 64.13 H new ATOM 0 HB2 ARG A 17 -3.546 -4.217 -11.647 1.00 23.44 H new ATOM 0 HB3 ARG A 17 -5.062 -5.041 -11.956 1.00 23.44 H new ATOM 0 HG2 ARG A 17 -3.778 -6.897 -12.132 1.00 63.10 H new ATOM 0 HG3 ARG A 17 -3.442 -6.323 -13.753 1.00 63.10 H new ATOM 0 HD2 ARG A 17 -1.739 -5.752 -11.291 1.00 32.13 H new ATOM 0 HD3 ARG A 17 -1.374 -6.946 -12.520 1.00 32.13 H new ATOM 0 HE ARG A 17 -1.572 -4.642 -14.001 1.00 3.10 H new ATOM 0 HH11 ARG A 17 0.081 -5.392 -11.011 1.00 52.03 H new ATOM 0 HH12 ARG A 17 1.440 -4.324 -11.378 1.00 52.03 H new ATOM 0 HH21 ARG A 17 0.168 -3.340 -14.453 1.00 74.21 H new ATOM 0 HH22 ARG A 17 1.487 -3.186 -13.288 1.00 74.21 H new ATOM 287 N GLU A 18 -4.714 -5.287 -15.593 1.00 5.42 N ATOM 288 CA GLU A 18 -5.514 -6.044 -16.571 1.00 72.41 C ATOM 289 C GLU A 18 -6.403 -7.098 -15.882 1.00 62.25 C ATOM 290 O GLU A 18 -7.402 -7.549 -16.441 1.00 2.44 O ATOM 291 CB GLU A 18 -4.596 -6.731 -17.594 1.00 23.33 C ATOM 292 CG GLU A 18 -3.554 -7.653 -16.964 1.00 65.24 C ATOM 293 CD GLU A 18 -2.750 -8.436 -17.990 1.00 31.43 C ATOM 294 OE1 GLU A 18 -1.970 -7.814 -18.743 1.00 24.40 O ATOM 295 OE2 GLU A 18 -2.896 -9.675 -18.055 1.00 72.43 O ATOM 0 H GLU A 18 -3.706 -5.352 -15.736 1.00 5.42 H new ATOM 0 HA GLU A 18 -6.163 -5.334 -17.083 1.00 72.41 H new ATOM 0 HB2 GLU A 18 -5.208 -7.309 -18.287 1.00 23.33 H new ATOM 0 HB3 GLU A 18 -4.085 -5.967 -18.180 1.00 23.33 H new ATOM 0 HG2 GLU A 18 -2.873 -7.059 -16.355 1.00 65.24 H new ATOM 0 HG3 GLU A 18 -4.054 -8.352 -16.293 1.00 65.24 H new ATOM 302 N ARG A 19 -6.025 -7.482 -14.662 1.00 54.04 N ATOM 303 CA ARG A 19 -6.761 -8.487 -13.888 1.00 14.12 C ATOM 304 C ARG A 19 -7.065 -7.961 -12.474 1.00 61.52 C ATOM 305 O ARG A 19 -6.323 -7.133 -11.948 1.00 12.13 O ATOM 306 CB ARG A 19 -5.925 -9.776 -13.789 1.00 21.32 C ATOM 307 CG ARG A 19 -5.361 -10.249 -15.125 1.00 75.34 C ATOM 308 CD ARG A 19 -4.407 -11.422 -14.957 1.00 40.20 C ATOM 309 NE ARG A 19 -3.627 -11.670 -16.165 1.00 73.20 N ATOM 310 CZ ARG A 19 -2.784 -12.656 -16.300 1.00 63.13 C ATOM 311 NH1 ARG A 19 -2.638 -13.536 -15.362 1.00 55.34 N ATOM 312 NH2 ARG A 19 -2.097 -12.764 -17.388 1.00 52.25 N ATOM 0 H ARG A 19 -5.205 -7.109 -14.183 1.00 54.04 H new ATOM 0 HA ARG A 19 -7.703 -8.698 -14.394 1.00 14.12 H new ATOM 0 HB2 ARG A 19 -5.101 -9.611 -13.095 1.00 21.32 H new ATOM 0 HB3 ARG A 19 -6.544 -10.567 -13.366 1.00 21.32 H new ATOM 0 HG2 ARG A 19 -6.181 -10.539 -15.782 1.00 75.34 H new ATOM 0 HG3 ARG A 19 -4.840 -9.424 -15.611 1.00 75.34 H new ATOM 0 HD2 ARG A 19 -3.732 -11.224 -14.124 1.00 40.20 H new ATOM 0 HD3 ARG A 19 -4.974 -12.317 -14.702 1.00 40.20 H new ATOM 0 HE ARG A 19 -3.749 -11.033 -16.952 1.00 73.20 H new ATOM 0 HH11 ARG A 19 -3.186 -13.463 -14.505 1.00 55.34 H new ATOM 0 HH12 ARG A 19 -1.975 -14.302 -15.480 1.00 55.34 H new ATOM 0 HH21 ARG A 19 -2.215 -12.080 -18.136 1.00 52.25 H new ATOM 0 HH22 ARG A 19 -1.436 -13.533 -17.500 1.00 52.25 H new ATOM 326 N PRO A 20 -8.144 -8.445 -11.826 1.00 44.03 N ATOM 327 CA PRO A 20 -8.481 -8.059 -10.437 1.00 15.14 C ATOM 328 C PRO A 20 -7.502 -8.642 -9.393 1.00 12.34 C ATOM 329 O PRO A 20 -7.728 -8.531 -8.188 1.00 74.44 O ATOM 330 CB PRO A 20 -9.892 -8.637 -10.246 1.00 21.33 C ATOM 331 CG PRO A 20 -9.958 -9.788 -11.193 1.00 44.23 C ATOM 332 CD PRO A 20 -9.134 -9.387 -12.390 1.00 15.14 C ATOM 0 HA PRO A 20 -8.420 -6.981 -10.290 1.00 15.14 H new ATOM 0 HB2 PRO A 20 -10.052 -8.960 -9.217 1.00 21.33 H new ATOM 0 HB3 PRO A 20 -10.658 -7.895 -10.470 1.00 21.33 H new ATOM 0 HG2 PRO A 20 -9.564 -10.695 -10.734 1.00 44.23 H new ATOM 0 HG3 PRO A 20 -10.988 -9.998 -11.481 1.00 44.23 H new ATOM 0 HD2 PRO A 20 -8.651 -10.248 -12.852 1.00 15.14 H new ATOM 0 HD3 PRO A 20 -9.746 -8.914 -13.158 1.00 15.14 H new ATOM 340 N GLU A 21 -6.432 -9.284 -9.871 1.00 44.13 N ATOM 341 CA GLU A 21 -5.424 -9.909 -9.005 1.00 31.15 C ATOM 342 C GLU A 21 -4.779 -8.894 -8.038 1.00 20.41 C ATOM 343 O GLU A 21 -4.763 -9.099 -6.823 1.00 44.43 O ATOM 344 CB GLU A 21 -4.338 -10.564 -9.876 1.00 12.14 C ATOM 345 CG GLU A 21 -3.437 -11.540 -9.127 1.00 32.24 C ATOM 346 CD GLU A 21 -4.189 -12.771 -8.643 1.00 21.52 C ATOM 347 OE1 GLU A 21 -4.496 -13.650 -9.474 1.00 13.24 O ATOM 348 OE2 GLU A 21 -4.480 -12.867 -7.433 1.00 11.05 O ATOM 0 H GLU A 21 -6.239 -9.386 -10.867 1.00 44.13 H new ATOM 0 HA GLU A 21 -5.926 -10.663 -8.398 1.00 31.15 H new ATOM 0 HB2 GLU A 21 -4.819 -11.091 -10.700 1.00 12.14 H new ATOM 0 HB3 GLU A 21 -3.720 -9.781 -10.315 1.00 12.14 H new ATOM 0 HG2 GLU A 21 -2.620 -11.850 -9.779 1.00 32.24 H new ATOM 0 HG3 GLU A 21 -2.988 -11.033 -8.273 1.00 32.24 H new ATOM 355 N ASP A 22 -4.248 -7.802 -8.587 1.00 15.33 N ATOM 356 CA ASP A 22 -3.617 -6.750 -7.778 1.00 3.22 C ATOM 357 C ASP A 22 -4.666 -5.753 -7.252 1.00 40.02 C ATOM 358 O ASP A 22 -5.861 -5.895 -7.517 1.00 20.13 O ATOM 359 CB ASP A 22 -2.555 -6.008 -8.609 1.00 60.14 C ATOM 360 CG ASP A 22 -1.406 -6.901 -9.069 1.00 5.43 C ATOM 361 OD1 ASP A 22 -1.533 -8.143 -9.004 1.00 60.52 O ATOM 362 OD2 ASP A 22 -0.373 -6.357 -9.518 1.00 41.44 O ATOM 0 H ASP A 22 -4.240 -7.619 -9.590 1.00 15.33 H new ATOM 0 HA ASP A 22 -3.136 -7.223 -6.922 1.00 3.22 H new ATOM 0 HB2 ASP A 22 -3.033 -5.566 -9.483 1.00 60.14 H new ATOM 0 HB3 ASP A 22 -2.151 -5.187 -8.017 1.00 60.14 H new ATOM 367 N LEU A 23 -4.218 -4.747 -6.503 1.00 12.03 N ATOM 368 CA LEU A 23 -5.124 -3.728 -5.954 1.00 43.45 C ATOM 369 C LEU A 23 -5.080 -2.436 -6.791 1.00 40.21 C ATOM 370 O LEU A 23 -4.031 -1.806 -6.927 1.00 22.41 O ATOM 371 CB LEU A 23 -4.746 -3.425 -4.494 1.00 51.31 C ATOM 372 CG LEU A 23 -5.709 -2.492 -3.737 1.00 52.42 C ATOM 373 CD1 LEU A 23 -7.098 -3.117 -3.628 1.00 74.50 C ATOM 374 CD2 LEU A 23 -5.154 -2.155 -2.353 1.00 34.13 C ATOM 0 H LEU A 23 -3.237 -4.612 -6.260 1.00 12.03 H new ATOM 0 HA LEU A 23 -6.141 -4.119 -5.991 1.00 43.45 H new ATOM 0 HB2 LEU A 23 -4.681 -4.368 -3.951 1.00 51.31 H new ATOM 0 HB3 LEU A 23 -3.751 -2.980 -4.480 1.00 51.31 H new ATOM 0 HG LEU A 23 -5.801 -1.565 -4.303 1.00 52.42 H new ATOM 0 HD11 LEU A 23 -7.761 -2.440 -3.089 1.00 74.50 H new ATOM 0 HD12 LEU A 23 -7.496 -3.296 -4.627 1.00 74.50 H new ATOM 0 HD13 LEU A 23 -7.030 -4.062 -3.090 1.00 74.50 H new ATOM 0 HD21 LEU A 23 -5.848 -1.495 -1.833 1.00 34.13 H new ATOM 0 HD22 LEU A 23 -5.027 -3.073 -1.779 1.00 34.13 H new ATOM 0 HD23 LEU A 23 -4.190 -1.657 -2.459 1.00 34.13 H new ATOM 386 N GLU A 24 -6.230 -2.050 -7.348 1.00 52.14 N ATOM 387 CA GLU A 24 -6.334 -0.828 -8.161 1.00 74.23 C ATOM 388 C GLU A 24 -6.431 0.417 -7.265 1.00 51.25 C ATOM 389 O GLU A 24 -7.150 0.416 -6.261 1.00 12.12 O ATOM 390 CB GLU A 24 -7.562 -0.896 -9.090 1.00 72.04 C ATOM 391 CG GLU A 24 -7.734 -2.232 -9.823 1.00 1.22 C ATOM 392 CD GLU A 24 -8.732 -3.163 -9.139 1.00 75.13 C ATOM 393 OE1 GLU A 24 -8.527 -3.506 -7.958 1.00 65.43 O ATOM 394 OE2 GLU A 24 -9.734 -3.548 -9.782 1.00 11.23 O ATOM 0 H GLU A 24 -7.106 -2.564 -7.253 1.00 52.14 H new ATOM 0 HA GLU A 24 -5.433 -0.754 -8.769 1.00 74.23 H new ATOM 0 HB2 GLU A 24 -8.458 -0.702 -8.501 1.00 72.04 H new ATOM 0 HB3 GLU A 24 -7.487 -0.098 -9.829 1.00 72.04 H new ATOM 0 HG2 GLU A 24 -8.065 -2.040 -10.844 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -6.767 -2.731 -9.890 1.00 1.22 H new ATOM 401 N LEU A 25 -5.724 1.483 -7.638 1.00 31.25 N ATOM 402 CA LEU A 25 -5.635 2.688 -6.799 1.00 54.12 C ATOM 403 C LEU A 25 -6.117 3.943 -7.545 1.00 10.10 C ATOM 404 O LEU A 25 -5.824 4.127 -8.728 1.00 5.24 O ATOM 405 CB LEU A 25 -4.186 2.885 -6.334 1.00 12.11 C ATOM 406 CG LEU A 25 -3.564 1.679 -5.613 1.00 15.02 C ATOM 407 CD1 LEU A 25 -2.118 1.968 -5.221 1.00 41.10 C ATOM 408 CD2 LEU A 25 -4.396 1.298 -4.390 1.00 34.12 C ATOM 0 H LEU A 25 -5.204 1.541 -8.513 1.00 31.25 H new ATOM 0 HA LEU A 25 -6.288 2.544 -5.938 1.00 54.12 H new ATOM 0 HB2 LEU A 25 -3.572 3.126 -7.202 1.00 12.11 H new ATOM 0 HB3 LEU A 25 -4.149 3.746 -5.667 1.00 12.11 H new ATOM 0 HG LEU A 25 -3.562 0.833 -6.300 1.00 15.02 H new ATOM 0 HD11 LEU A 25 -1.699 1.100 -4.712 1.00 41.10 H new ATOM 0 HD12 LEU A 25 -1.534 2.181 -6.116 1.00 41.10 H new ATOM 0 HD13 LEU A 25 -2.087 2.830 -4.554 1.00 41.10 H new ATOM 0 HD21 LEU A 25 -3.940 0.442 -3.892 1.00 34.12 H new ATOM 0 HD22 LEU A 25 -4.435 2.141 -3.700 1.00 34.12 H new ATOM 0 HD23 LEU A 25 -5.407 1.039 -4.704 1.00 34.12 H new ATOM 420 N LEU A 26 -6.865 4.798 -6.845 1.00 35.35 N ATOM 421 CA LEU A 26 -7.383 6.053 -7.416 1.00 24.22 C ATOM 422 C LEU A 26 -6.901 7.264 -6.590 1.00 34.13 C ATOM 423 O LEU A 26 -6.880 7.219 -5.358 1.00 33.24 O ATOM 424 CB LEU A 26 -8.927 6.035 -7.470 1.00 20.43 C ATOM 425 CG LEU A 26 -9.582 5.180 -8.576 1.00 32.13 C ATOM 426 CD1 LEU A 26 -9.131 5.647 -9.959 1.00 42.22 C ATOM 427 CD2 LEU A 26 -9.291 3.694 -8.387 1.00 20.42 C ATOM 0 H LEU A 26 -7.130 4.646 -5.872 1.00 35.35 H new ATOM 0 HA LEU A 26 -6.999 6.143 -8.432 1.00 24.22 H new ATOM 0 HB2 LEU A 26 -9.295 5.682 -6.507 1.00 20.43 H new ATOM 0 HB3 LEU A 26 -9.273 7.062 -7.586 1.00 20.43 H new ATOM 0 HG LEU A 26 -10.661 5.315 -8.499 1.00 32.13 H new ATOM 0 HD11 LEU A 26 -9.604 5.031 -10.723 1.00 42.22 H new ATOM 0 HD12 LEU A 26 -9.418 6.689 -10.103 1.00 42.22 H new ATOM 0 HD13 LEU A 26 -8.048 5.555 -10.039 1.00 42.22 H new ATOM 0 HD21 LEU A 26 -9.769 3.125 -9.185 1.00 20.42 H new ATOM 0 HD22 LEU A 26 -8.214 3.527 -8.417 1.00 20.42 H new ATOM 0 HD23 LEU A 26 -9.682 3.366 -7.424 1.00 20.42 H new ATOM 439 N PRO A 27 -6.544 8.385 -7.246 1.00 13.21 N ATOM 440 CA PRO A 27 -5.933 9.540 -6.563 1.00 21.24 C ATOM 441 C PRO A 27 -6.808 10.110 -5.432 1.00 34.24 C ATOM 442 O PRO A 27 -7.838 10.740 -5.682 1.00 10.10 O ATOM 443 CB PRO A 27 -5.751 10.575 -7.690 1.00 3.44 C ATOM 444 CG PRO A 27 -6.678 10.136 -8.774 1.00 12.13 C ATOM 445 CD PRO A 27 -6.737 8.636 -8.682 1.00 40.24 C ATOM 0 HA PRO A 27 -5.003 9.262 -6.068 1.00 21.24 H new ATOM 0 HB2 PRO A 27 -5.995 11.580 -7.346 1.00 3.44 H new ATOM 0 HB3 PRO A 27 -4.719 10.600 -8.040 1.00 3.44 H new ATOM 0 HG2 PRO A 27 -7.667 10.575 -8.644 1.00 12.13 H new ATOM 0 HG3 PRO A 27 -6.315 10.454 -9.751 1.00 12.13 H new ATOM 0 HD2 PRO A 27 -7.692 8.247 -9.035 1.00 40.24 H new ATOM 0 HD3 PRO A 27 -5.959 8.164 -9.282 1.00 40.24 H new ATOM 453 N GLY A 28 -6.408 9.854 -4.183 1.00 11.21 N ATOM 454 CA GLY A 28 -7.106 10.439 -3.039 1.00 75.01 C ATOM 455 C GLY A 28 -7.593 9.434 -1.993 1.00 44.52 C ATOM 456 O GLY A 28 -8.186 9.838 -0.991 1.00 33.50 O ATOM 0 H GLY A 28 -5.618 9.256 -3.942 1.00 11.21 H new ATOM 0 HA2 GLY A 28 -6.440 11.152 -2.553 1.00 75.01 H new ATOM 0 HA3 GLY A 28 -7.964 11.003 -3.406 1.00 75.01 H new ATOM 460 N ASP A 29 -7.373 8.133 -2.202 1.00 31.33 N ATOM 461 CA ASP A 29 -7.783 7.139 -1.197 1.00 52.41 C ATOM 462 C ASP A 29 -6.632 6.778 -0.245 1.00 60.34 C ATOM 463 O ASP A 29 -5.452 6.951 -0.571 1.00 70.40 O ATOM 464 CB ASP A 29 -8.368 5.874 -1.853 1.00 20.52 C ATOM 465 CG ASP A 29 -7.404 5.132 -2.767 1.00 0.43 C ATOM 466 OD1 ASP A 29 -6.397 4.596 -2.270 1.00 2.25 O ATOM 467 OD2 ASP A 29 -7.681 5.042 -3.982 1.00 44.41 O ATOM 0 H ASP A 29 -6.926 7.747 -3.034 1.00 31.33 H new ATOM 0 HA ASP A 29 -8.571 7.602 -0.602 1.00 52.41 H new ATOM 0 HB2 ASP A 29 -8.701 5.194 -1.068 1.00 20.52 H new ATOM 0 HB3 ASP A 29 -9.251 6.154 -2.428 1.00 20.52 H new ATOM 472 N VAL A 30 -6.993 6.300 0.944 1.00 12.22 N ATOM 473 CA VAL A 30 -6.016 5.902 1.960 1.00 13.02 C ATOM 474 C VAL A 30 -5.851 4.379 2.011 1.00 31.03 C ATOM 475 O VAL A 30 -6.831 3.630 2.014 1.00 33.51 O ATOM 476 CB VAL A 30 -6.425 6.419 3.363 1.00 31.31 C ATOM 477 CG1 VAL A 30 -5.412 5.992 4.427 1.00 33.45 C ATOM 478 CG2 VAL A 30 -6.590 7.937 3.345 1.00 55.40 C ATOM 0 H VAL A 30 -7.964 6.177 1.231 1.00 12.22 H new ATOM 0 HA VAL A 30 -5.064 6.351 1.677 1.00 13.02 H new ATOM 0 HB VAL A 30 -7.384 5.972 3.623 1.00 31.31 H new ATOM 0 HG11 VAL A 30 -5.726 6.369 5.400 1.00 33.45 H new ATOM 0 HG12 VAL A 30 -5.356 4.904 4.460 1.00 33.45 H new ATOM 0 HG13 VAL A 30 -4.431 6.398 4.179 1.00 33.45 H new ATOM 0 HG21 VAL A 30 -6.877 8.284 4.338 1.00 55.40 H new ATOM 0 HG22 VAL A 30 -5.647 8.402 3.057 1.00 55.40 H new ATOM 0 HG23 VAL A 30 -7.364 8.210 2.627 1.00 55.40 H new ATOM 488 N LEU A 31 -4.601 3.929 2.047 1.00 12.42 N ATOM 489 CA LEU A 31 -4.282 2.503 2.107 1.00 30.42 C ATOM 490 C LEU A 31 -3.785 2.120 3.506 1.00 51.01 C ATOM 491 O LEU A 31 -2.691 2.509 3.919 1.00 44.41 O ATOM 492 CB LEU A 31 -3.223 2.139 1.052 1.00 45.03 C ATOM 493 CG LEU A 31 -3.607 2.434 -0.411 1.00 22.11 C ATOM 494 CD1 LEU A 31 -3.550 3.929 -0.715 1.00 64.40 C ATOM 495 CD2 LEU A 31 -2.709 1.661 -1.366 1.00 12.21 C ATOM 0 H LEU A 31 -3.783 4.538 2.036 1.00 12.42 H new ATOM 0 HA LEU A 31 -5.193 1.943 1.894 1.00 30.42 H new ATOM 0 HB2 LEU A 31 -2.305 2.680 1.283 1.00 45.03 H new ATOM 0 HB3 LEU A 31 -2.998 1.076 1.142 1.00 45.03 H new ATOM 0 HG LEU A 31 -4.636 2.105 -0.555 1.00 22.11 H new ATOM 0 HD11 LEU A 31 -3.827 4.100 -1.755 1.00 64.40 H new ATOM 0 HD12 LEU A 31 -4.244 4.460 -0.063 1.00 64.40 H new ATOM 0 HD13 LEU A 31 -2.538 4.297 -0.544 1.00 64.40 H new ATOM 0 HD21 LEU A 31 -2.995 1.882 -2.394 1.00 12.21 H new ATOM 0 HD22 LEU A 31 -1.671 1.954 -1.207 1.00 12.21 H new ATOM 0 HD23 LEU A 31 -2.816 0.592 -1.181 1.00 12.21 H new ATOM 507 N VAL A 32 -4.595 1.360 4.235 1.00 73.31 N ATOM 508 CA VAL A 32 -4.269 0.976 5.613 1.00 35.23 C ATOM 509 C VAL A 32 -3.554 -0.388 5.674 1.00 11.44 C ATOM 510 O VAL A 32 -4.099 -1.409 5.246 1.00 33.11 O ATOM 511 CB VAL A 32 -5.548 0.931 6.488 1.00 53.52 C ATOM 512 CG1 VAL A 32 -5.212 0.540 7.925 1.00 61.43 C ATOM 513 CG2 VAL A 32 -6.283 2.272 6.441 1.00 10.23 C ATOM 0 H VAL A 32 -5.486 0.994 3.898 1.00 73.31 H new ATOM 0 HA VAL A 32 -3.591 1.735 6.003 1.00 35.23 H new ATOM 0 HB VAL A 32 -6.212 0.168 6.081 1.00 53.52 H new ATOM 0 HG11 VAL A 32 -6.126 0.516 8.519 1.00 61.43 H new ATOM 0 HG12 VAL A 32 -4.747 -0.446 7.935 1.00 61.43 H new ATOM 0 HG13 VAL A 32 -4.523 1.271 8.349 1.00 61.43 H new ATOM 0 HG21 VAL A 32 -7.177 2.219 7.062 1.00 10.23 H new ATOM 0 HG22 VAL A 32 -5.628 3.059 6.815 1.00 10.23 H new ATOM 0 HG23 VAL A 32 -6.568 2.495 5.413 1.00 10.23 H new ATOM 523 N VAL A 33 -2.331 -0.394 6.213 1.00 54.42 N ATOM 524 CA VAL A 33 -1.510 -1.613 6.304 1.00 53.12 C ATOM 525 C VAL A 33 -1.041 -1.871 7.750 1.00 13.21 C ATOM 526 O VAL A 33 -0.591 -0.956 8.440 1.00 54.44 O ATOM 527 CB VAL A 33 -0.265 -1.519 5.381 1.00 54.23 C ATOM 528 CG1 VAL A 33 0.546 -2.815 5.417 1.00 30.43 C ATOM 529 CG2 VAL A 33 -0.676 -1.177 3.948 1.00 31.41 C ATOM 0 H VAL A 33 -1.882 0.437 6.597 1.00 54.42 H new ATOM 0 HA VAL A 33 -2.140 -2.441 5.981 1.00 53.12 H new ATOM 0 HB VAL A 33 0.369 -0.715 5.755 1.00 54.23 H new ATOM 0 HG11 VAL A 33 1.412 -2.721 4.762 1.00 30.43 H new ATOM 0 HG12 VAL A 33 0.882 -3.006 6.436 1.00 30.43 H new ATOM 0 HG13 VAL A 33 -0.077 -3.643 5.079 1.00 30.43 H new ATOM 0 HG21 VAL A 33 0.212 -1.116 3.319 1.00 31.41 H new ATOM 0 HG22 VAL A 33 -1.339 -1.952 3.565 1.00 31.41 H new ATOM 0 HG23 VAL A 33 -1.194 -0.218 3.937 1.00 31.41 H new ATOM 539 N SER A 34 -1.141 -3.120 8.203 1.00 12.41 N ATOM 540 CA SER A 34 -0.692 -3.495 9.555 1.00 33.33 C ATOM 541 C SER A 34 0.768 -3.974 9.545 1.00 2.41 C ATOM 542 O SER A 34 1.226 -4.572 8.568 1.00 12.20 O ATOM 543 CB SER A 34 -1.584 -4.601 10.135 1.00 42.24 C ATOM 544 OG SER A 34 -1.483 -5.799 9.380 1.00 53.03 O ATOM 0 H SER A 34 -1.527 -3.892 7.660 1.00 12.41 H new ATOM 0 HA SER A 34 -0.765 -2.605 10.180 1.00 33.33 H new ATOM 0 HB2 SER A 34 -1.298 -4.796 11.169 1.00 42.24 H new ATOM 0 HB3 SER A 34 -2.621 -4.264 10.149 1.00 42.24 H new ATOM 0 HG SER A 34 -2.061 -6.484 9.775 1.00 53.03 H new ATOM 550 N ARG A 35 1.498 -3.729 10.641 1.00 0.23 N ATOM 551 CA ARG A 35 2.911 -4.139 10.735 1.00 53.25 C ATOM 552 C ARG A 35 3.083 -5.656 10.550 1.00 24.34 C ATOM 553 O ARG A 35 4.121 -6.116 10.074 1.00 32.45 O ATOM 554 CB ARG A 35 3.543 -3.696 12.071 1.00 24.32 C ATOM 555 CG ARG A 35 2.770 -4.121 13.322 1.00 21.11 C ATOM 556 CD ARG A 35 3.544 -3.787 14.598 1.00 0.41 C ATOM 557 NE ARG A 35 2.686 -3.730 15.787 1.00 44.23 N ATOM 558 CZ ARG A 35 3.136 -3.573 17.009 1.00 32.44 C ATOM 559 NH1 ARG A 35 4.410 -3.577 17.246 1.00 33.31 N ATOM 560 NH2 ARG A 35 2.310 -3.417 17.995 1.00 14.11 N ATOM 0 H ARG A 35 1.141 -3.254 11.470 1.00 0.23 H new ATOM 0 HA ARG A 35 3.433 -3.636 9.921 1.00 53.25 H new ATOM 0 HB2 ARG A 35 4.553 -4.102 12.131 1.00 24.32 H new ATOM 0 HB3 ARG A 35 3.635 -2.610 12.070 1.00 24.32 H new ATOM 0 HG2 ARG A 35 1.802 -3.620 13.341 1.00 21.11 H new ATOM 0 HG3 ARG A 35 2.574 -5.193 13.284 1.00 21.11 H new ATOM 0 HD2 ARG A 35 4.321 -4.536 14.752 1.00 0.41 H new ATOM 0 HD3 ARG A 35 4.046 -2.828 14.472 1.00 0.41 H new ATOM 0 HE ARG A 35 1.678 -3.818 15.655 1.00 44.23 H new ATOM 0 HH11 ARG A 35 5.071 -3.703 16.479 1.00 33.31 H new ATOM 0 HH12 ARG A 35 4.752 -3.454 18.199 1.00 33.31 H new ATOM 0 HH21 ARG A 35 1.305 -3.416 17.823 1.00 14.11 H new ATOM 0 HH22 ARG A 35 2.665 -3.295 18.943 1.00 14.11 H new ATOM 574 N ALA A 36 2.056 -6.426 10.914 1.00 2.12 N ATOM 575 CA ALA A 36 2.079 -7.886 10.747 1.00 51.22 C ATOM 576 C ALA A 36 2.367 -8.286 9.289 1.00 3.41 C ATOM 577 O ALA A 36 3.108 -9.237 9.027 1.00 52.44 O ATOM 578 CB ALA A 36 0.757 -8.490 11.214 1.00 61.13 C ATOM 0 H ALA A 36 1.196 -6.065 11.327 1.00 2.12 H new ATOM 0 HA ALA A 36 2.888 -8.280 11.362 1.00 51.22 H new ATOM 0 HB1 ALA A 36 0.786 -9.572 11.085 1.00 61.13 H new ATOM 0 HB2 ALA A 36 0.601 -8.254 12.267 1.00 61.13 H new ATOM 0 HB3 ALA A 36 -0.061 -8.076 10.624 1.00 61.13 H new ATOM 584 N ALA A 37 1.782 -7.539 8.350 1.00 51.03 N ATOM 585 CA ALA A 37 2.005 -7.765 6.918 1.00 40.12 C ATOM 586 C ALA A 37 3.454 -7.438 6.519 1.00 41.34 C ATOM 587 O ALA A 37 4.101 -8.202 5.801 1.00 12.35 O ATOM 588 CB ALA A 37 1.024 -6.933 6.097 1.00 30.03 C ATOM 0 H ALA A 37 1.147 -6.768 8.556 1.00 51.03 H new ATOM 0 HA ALA A 37 1.834 -8.821 6.711 1.00 40.12 H new ATOM 0 HB1 ALA A 37 1.198 -7.108 5.035 1.00 30.03 H new ATOM 0 HB2 ALA A 37 0.003 -7.220 6.350 1.00 30.03 H new ATOM 0 HB3 ALA A 37 1.169 -5.876 6.319 1.00 30.03 H new ATOM 594 N LEU A 38 3.956 -6.302 7.004 1.00 33.31 N ATOM 595 CA LEU A 38 5.339 -5.884 6.736 1.00 11.25 C ATOM 596 C LEU A 38 6.345 -6.922 7.259 1.00 45.24 C ATOM 597 O LEU A 38 7.330 -7.247 6.587 1.00 23.13 O ATOM 598 CB LEU A 38 5.611 -4.517 7.382 1.00 14.35 C ATOM 599 CG LEU A 38 4.710 -3.371 6.894 1.00 55.44 C ATOM 600 CD1 LEU A 38 5.018 -2.081 7.652 1.00 53.11 C ATOM 601 CD2 LEU A 38 4.864 -3.161 5.386 1.00 52.42 C ATOM 0 H LEU A 38 3.428 -5.652 7.586 1.00 33.31 H new ATOM 0 HA LEU A 38 5.465 -5.804 5.656 1.00 11.25 H new ATOM 0 HB2 LEU A 38 5.496 -4.614 8.462 1.00 14.35 H new ATOM 0 HB3 LEU A 38 6.650 -4.245 7.196 1.00 14.35 H new ATOM 0 HG LEU A 38 3.675 -3.646 7.094 1.00 55.44 H new ATOM 0 HD11 LEU A 38 4.369 -1.283 7.291 1.00 53.11 H new ATOM 0 HD12 LEU A 38 4.846 -2.235 8.717 1.00 53.11 H new ATOM 0 HD13 LEU A 38 6.059 -1.803 7.489 1.00 53.11 H new ATOM 0 HD21 LEU A 38 4.217 -2.345 5.064 1.00 52.42 H new ATOM 0 HD22 LEU A 38 5.901 -2.914 5.157 1.00 52.42 H new ATOM 0 HD23 LEU A 38 4.584 -4.074 4.861 1.00 52.42 H new ATOM 613 N GLN A 39 6.088 -7.441 8.462 1.00 10.41 N ATOM 614 CA GLN A 39 6.925 -8.497 9.049 1.00 70.34 C ATOM 615 C GLN A 39 6.901 -9.769 8.186 1.00 24.32 C ATOM 616 O GLN A 39 7.926 -10.437 8.016 1.00 75.30 O ATOM 617 CB GLN A 39 6.454 -8.825 10.477 1.00 74.51 C ATOM 618 CG GLN A 39 6.533 -7.648 11.448 1.00 72.33 C ATOM 619 CD GLN A 39 7.944 -7.109 11.618 1.00 60.15 C ATOM 620 OE1 GLN A 39 8.371 -6.199 10.913 1.00 74.15 O ATOM 621 NE2 GLN A 39 8.681 -7.674 12.550 1.00 31.53 N ATOM 0 H GLN A 39 5.308 -7.149 9.051 1.00 10.41 H new ATOM 0 HA GLN A 39 7.949 -8.127 9.087 1.00 70.34 H new ATOM 0 HB2 GLN A 39 5.424 -9.179 10.436 1.00 74.51 H new ATOM 0 HB3 GLN A 39 7.057 -9.645 10.867 1.00 74.51 H new ATOM 0 HG2 GLN A 39 5.885 -6.847 11.092 1.00 72.33 H new ATOM 0 HG3 GLN A 39 6.150 -7.960 12.420 1.00 72.33 H new ATOM 0 HE21 GLN A 39 8.295 -8.428 13.118 1.00 31.53 H new ATOM 0 HE22 GLN A 39 9.638 -7.358 12.704 1.00 31.53 H new ATOM 630 N ALA A 40 5.726 -10.096 7.643 1.00 53.44 N ATOM 631 CA ALA A 40 5.571 -11.251 6.749 1.00 25.03 C ATOM 632 C ALA A 40 6.379 -11.069 5.455 1.00 11.15 C ATOM 633 O ALA A 40 7.032 -11.999 4.980 1.00 71.54 O ATOM 634 CB ALA A 40 4.096 -11.474 6.430 1.00 21.41 C ATOM 0 H ALA A 40 4.864 -9.576 7.806 1.00 53.44 H new ATOM 0 HA ALA A 40 5.960 -12.130 7.262 1.00 25.03 H new ATOM 0 HB1 ALA A 40 3.993 -12.333 5.767 1.00 21.41 H new ATOM 0 HB2 ALA A 40 3.548 -11.661 7.354 1.00 21.41 H new ATOM 0 HB3 ALA A 40 3.691 -10.588 5.942 1.00 21.41 H new ATOM 640 N LEU A 41 6.324 -9.862 4.891 1.00 11.44 N ATOM 641 CA LEU A 41 7.117 -9.516 3.702 1.00 43.03 C ATOM 642 C LEU A 41 8.622 -9.502 4.025 1.00 1.04 C ATOM 643 O LEU A 41 9.466 -9.671 3.142 1.00 34.34 O ATOM 644 CB LEU A 41 6.692 -8.139 3.173 1.00 61.51 C ATOM 645 CG LEU A 41 5.210 -8.008 2.783 1.00 24.20 C ATOM 646 CD1 LEU A 41 4.890 -6.573 2.376 1.00 0.02 C ATOM 647 CD2 LEU A 41 4.854 -8.982 1.661 1.00 30.30 C ATOM 0 H LEU A 41 5.738 -9.102 5.237 1.00 11.44 H new ATOM 0 HA LEU A 41 6.934 -10.274 2.940 1.00 43.03 H new ATOM 0 HB2 LEU A 41 6.917 -7.392 3.934 1.00 61.51 H new ATOM 0 HB3 LEU A 41 7.302 -7.900 2.302 1.00 61.51 H new ATOM 0 HG LEU A 41 4.604 -8.262 3.653 1.00 24.20 H new ATOM 0 HD11 LEU A 41 3.837 -6.498 2.103 1.00 0.02 H new ATOM 0 HD12 LEU A 41 5.097 -5.903 3.211 1.00 0.02 H new ATOM 0 HD13 LEU A 41 5.507 -6.291 1.523 1.00 0.02 H new ATOM 0 HD21 LEU A 41 3.801 -8.870 1.403 1.00 30.30 H new ATOM 0 HD22 LEU A 41 5.467 -8.768 0.785 1.00 30.30 H new ATOM 0 HD23 LEU A 41 5.040 -10.003 1.993 1.00 30.30 H new ATOM 659 N GLY A 42 8.941 -9.282 5.299 1.00 31.11 N ATOM 660 CA GLY A 42 10.331 -9.247 5.741 1.00 31.45 C ATOM 661 C GLY A 42 10.969 -7.867 5.608 1.00 30.02 C ATOM 662 O GLY A 42 12.197 -7.745 5.580 1.00 32.12 O ATOM 0 H GLY A 42 8.258 -9.126 6.040 1.00 31.11 H new ATOM 0 HA2 GLY A 42 10.383 -9.565 6.782 1.00 31.45 H new ATOM 0 HA3 GLY A 42 10.909 -9.965 5.159 1.00 31.45 H new ATOM 666 N VAL A 43 10.141 -6.822 5.536 1.00 22.02 N ATOM 667 CA VAL A 43 10.641 -5.447 5.403 1.00 32.25 C ATOM 668 C VAL A 43 11.408 -5.015 6.661 1.00 44.01 C ATOM 669 O VAL A 43 10.886 -5.088 7.774 1.00 40.01 O ATOM 670 CB VAL A 43 9.485 -4.444 5.142 1.00 21.25 C ATOM 671 CG1 VAL A 43 10.025 -3.019 4.978 1.00 1.10 C ATOM 672 CG2 VAL A 43 8.671 -4.869 3.919 1.00 62.34 C ATOM 0 H VAL A 43 9.124 -6.899 5.567 1.00 22.02 H new ATOM 0 HA VAL A 43 11.316 -5.437 4.547 1.00 32.25 H new ATOM 0 HB VAL A 43 8.823 -4.451 6.008 1.00 21.25 H new ATOM 0 HG11 VAL A 43 9.196 -2.335 4.796 1.00 1.10 H new ATOM 0 HG12 VAL A 43 10.549 -2.722 5.887 1.00 1.10 H new ATOM 0 HG13 VAL A 43 10.715 -2.986 4.135 1.00 1.10 H new ATOM 0 HG21 VAL A 43 7.865 -4.154 3.752 1.00 62.34 H new ATOM 0 HG22 VAL A 43 9.319 -4.897 3.043 1.00 62.34 H new ATOM 0 HG23 VAL A 43 8.248 -5.859 4.090 1.00 62.34 H new ATOM 682 N ALA A 44 12.650 -4.575 6.479 1.00 13.35 N ATOM 683 CA ALA A 44 13.486 -4.138 7.599 1.00 23.44 C ATOM 684 C ALA A 44 12.942 -2.853 8.239 1.00 3.52 C ATOM 685 O ALA A 44 12.628 -1.884 7.539 1.00 33.33 O ATOM 686 CB ALA A 44 14.925 -3.931 7.134 1.00 63.33 C ATOM 0 H ALA A 44 13.102 -4.511 5.567 1.00 13.35 H new ATOM 0 HA ALA A 44 13.466 -4.921 8.357 1.00 23.44 H new ATOM 0 HB1 ALA A 44 15.536 -3.606 7.976 1.00 63.33 H new ATOM 0 HB2 ALA A 44 15.318 -4.868 6.740 1.00 63.33 H new ATOM 0 HB3 ALA A 44 14.949 -3.171 6.353 1.00 63.33 H new ATOM 692 N GLU A 45 12.825 -2.852 9.566 1.00 63.14 N ATOM 693 CA GLU A 45 12.346 -1.675 10.302 1.00 35.21 C ATOM 694 C GLU A 45 13.204 -0.436 9.989 1.00 74.15 C ATOM 695 O GLU A 45 14.432 -0.459 10.109 1.00 41.51 O ATOM 696 CB GLU A 45 12.322 -1.953 11.815 1.00 51.30 C ATOM 697 CG GLU A 45 13.627 -2.512 12.377 1.00 43.43 C ATOM 698 CD GLU A 45 13.563 -2.770 13.876 1.00 74.13 C ATOM 699 OE1 GLU A 45 12.571 -3.374 14.343 1.00 15.52 O ATOM 700 OE2 GLU A 45 14.511 -2.390 14.594 1.00 14.21 O ATOM 0 H GLU A 45 13.054 -3.651 10.157 1.00 63.14 H new ATOM 0 HA GLU A 45 11.327 -1.467 9.975 1.00 35.21 H new ATOM 0 HB2 GLU A 45 12.083 -1.027 12.338 1.00 51.30 H new ATOM 0 HB3 GLU A 45 11.518 -2.657 12.030 1.00 51.30 H new ATOM 0 HG2 GLU A 45 13.869 -3.442 11.863 1.00 43.43 H new ATOM 0 HG3 GLU A 45 14.436 -1.812 12.168 1.00 43.43 H new ATOM 707 N GLY A 46 12.544 0.645 9.587 1.00 31.45 N ATOM 708 CA GLY A 46 13.248 1.834 9.117 1.00 61.33 C ATOM 709 C GLY A 46 13.241 1.943 7.594 1.00 40.11 C ATOM 710 O GLY A 46 13.761 2.905 7.024 1.00 74.10 O ATOM 0 H GLY A 46 11.527 0.723 9.577 1.00 31.45 H new ATOM 0 HA2 GLY A 46 12.784 2.722 9.545 1.00 61.33 H new ATOM 0 HA3 GLY A 46 14.278 1.809 9.473 1.00 61.33 H new ATOM 714 N GLY A 47 12.664 0.935 6.935 1.00 53.11 N ATOM 715 CA GLY A 47 12.527 0.949 5.481 1.00 25.41 C ATOM 716 C GLY A 47 11.074 1.002 5.011 1.00 43.44 C ATOM 717 O GLY A 47 10.804 1.169 3.819 1.00 62.43 O ATOM 0 H GLY A 47 12.286 0.102 7.386 1.00 53.11 H new ATOM 0 HA2 GLY A 47 13.063 1.810 5.081 1.00 25.41 H new ATOM 0 HA3 GLY A 47 13.002 0.059 5.070 1.00 25.41 H new ATOM 721 N GLU A 48 10.139 0.868 5.949 1.00 3.02 N ATOM 722 CA GLU A 48 8.699 0.874 5.634 1.00 43.11 C ATOM 723 C GLU A 48 8.219 2.267 5.187 1.00 25.31 C ATOM 724 O GLU A 48 7.167 2.405 4.558 1.00 22.22 O ATOM 725 CB GLU A 48 7.882 0.397 6.848 1.00 33.53 C ATOM 726 CG GLU A 48 7.906 1.343 8.053 1.00 23.14 C ATOM 727 CD GLU A 48 9.282 1.474 8.693 1.00 62.11 C ATOM 728 OE1 GLU A 48 9.641 0.619 9.526 1.00 33.11 O ATOM 729 OE2 GLU A 48 10.013 2.429 8.359 1.00 3.34 O ATOM 0 H GLU A 48 10.347 0.753 6.941 1.00 3.02 H new ATOM 0 HA GLU A 48 8.542 0.185 4.804 1.00 43.11 H new ATOM 0 HB2 GLU A 48 6.847 0.254 6.538 1.00 33.53 H new ATOM 0 HB3 GLU A 48 8.259 -0.577 7.161 1.00 33.53 H new ATOM 0 HG2 GLU A 48 7.565 2.329 7.738 1.00 23.14 H new ATOM 0 HG3 GLU A 48 7.198 0.985 8.801 1.00 23.14 H new ATOM 736 N ARG A 49 8.989 3.300 5.532 1.00 73.32 N ATOM 737 CA ARG A 49 8.691 4.672 5.102 1.00 61.44 C ATOM 738 C ARG A 49 8.951 4.867 3.598 1.00 74.44 C ATOM 739 O ARG A 49 8.524 5.863 3.010 1.00 23.30 O ATOM 740 CB ARG A 49 9.528 5.678 5.904 1.00 53.11 C ATOM 741 CG ARG A 49 9.265 5.642 7.406 1.00 62.42 C ATOM 742 CD ARG A 49 10.071 6.703 8.153 1.00 50.20 C ATOM 743 NE ARG A 49 9.759 8.060 7.697 1.00 24.13 N ATOM 744 CZ ARG A 49 10.196 9.151 8.264 1.00 43.53 C ATOM 745 NH1 ARG A 49 10.976 9.098 9.296 1.00 5.31 N ATOM 746 NH2 ARG A 49 9.861 10.301 7.787 1.00 72.23 N ATOM 0 H ARG A 49 9.826 3.215 6.109 1.00 73.32 H new ATOM 0 HA ARG A 49 7.632 4.848 5.289 1.00 61.44 H new ATOM 0 HB2 ARG A 49 10.585 5.481 5.725 1.00 53.11 H new ATOM 0 HB3 ARG A 49 9.324 6.683 5.533 1.00 53.11 H new ATOM 0 HG2 ARG A 49 8.202 5.796 7.592 1.00 62.42 H new ATOM 0 HG3 ARG A 49 9.516 4.655 7.795 1.00 62.42 H new ATOM 0 HD2 ARG A 49 9.868 6.625 9.221 1.00 50.20 H new ATOM 0 HD3 ARG A 49 11.135 6.511 8.016 1.00 50.20 H new ATOM 0 HE ARG A 49 9.158 8.159 6.879 1.00 24.13 H new ATOM 0 HH11 ARG A 49 11.257 8.195 9.677 1.00 5.31 H new ATOM 0 HH12 ARG A 49 11.309 9.960 9.728 1.00 5.31 H new ATOM 0 HH21 ARG A 49 9.256 10.357 6.968 1.00 72.23 H new ATOM 0 HH22 ARG A 49 10.201 11.155 8.229 1.00 72.23 H new ATOM 760 N CYS A 50 9.650 3.912 2.980 1.00 42.22 N ATOM 761 CA CYS A 50 9.995 3.994 1.554 1.00 15.33 C ATOM 762 C CYS A 50 9.404 2.812 0.763 1.00 44.21 C ATOM 763 O CYS A 50 10.079 1.805 0.532 1.00 34.23 O ATOM 764 CB CYS A 50 11.521 4.031 1.381 1.00 1.34 C ATOM 765 SG CYS A 50 12.341 5.369 2.285 1.00 11.45 S ATOM 0 H CYS A 50 9.990 3.070 3.444 1.00 42.22 H new ATOM 0 HA CYS A 50 9.564 4.913 1.158 1.00 15.33 H new ATOM 0 HB2 CYS A 50 11.936 3.078 1.711 1.00 1.34 H new ATOM 0 HB3 CYS A 50 11.752 4.130 0.320 1.00 1.34 H new ATOM 0 HG CYS A 50 13.623 5.312 2.076 1.00 11.45 H new ATOM 771 N PRO A 51 8.128 2.917 0.331 1.00 71.14 N ATOM 772 CA PRO A 51 7.453 1.839 -0.419 1.00 2.20 C ATOM 773 C PRO A 51 8.110 1.554 -1.782 1.00 20.51 C ATOM 774 O PRO A 51 8.052 0.430 -2.290 1.00 15.41 O ATOM 775 CB PRO A 51 6.020 2.369 -0.595 1.00 74.22 C ATOM 776 CG PRO A 51 6.133 3.850 -0.447 1.00 61.22 C ATOM 777 CD PRO A 51 7.242 4.079 0.546 1.00 64.42 C ATOM 0 HA PRO A 51 7.504 0.886 0.108 1.00 2.20 H new ATOM 0 HB2 PRO A 51 5.617 2.100 -1.571 1.00 74.22 H new ATOM 0 HB3 PRO A 51 5.349 1.948 0.154 1.00 74.22 H new ATOM 0 HG2 PRO A 51 6.360 4.322 -1.403 1.00 61.22 H new ATOM 0 HG3 PRO A 51 5.196 4.280 -0.093 1.00 61.22 H new ATOM 0 HD2 PRO A 51 7.760 5.020 0.362 1.00 64.42 H new ATOM 0 HD3 PRO A 51 6.866 4.116 1.569 1.00 64.42 H new ATOM 785 N GLN A 52 8.757 2.572 -2.357 1.00 52.24 N ATOM 786 CA GLN A 52 9.450 2.431 -3.645 1.00 31.34 C ATOM 787 C GLN A 52 10.668 1.497 -3.525 1.00 4.10 C ATOM 788 O GLN A 52 11.196 1.008 -4.525 1.00 15.21 O ATOM 789 CB GLN A 52 9.907 3.803 -4.183 1.00 1.11 C ATOM 790 CG GLN A 52 8.787 4.831 -4.358 1.00 33.35 C ATOM 791 CD GLN A 52 8.545 5.686 -3.119 1.00 23.21 C ATOM 792 OE1 GLN A 52 8.776 5.260 -1.994 1.00 3.12 O ATOM 793 NE2 GLN A 52 8.082 6.903 -3.322 1.00 45.25 N ATOM 0 H GLN A 52 8.816 3.506 -1.951 1.00 52.24 H new ATOM 0 HA GLN A 52 8.738 1.994 -4.345 1.00 31.34 H new ATOM 0 HB2 GLN A 52 10.654 4.213 -3.503 1.00 1.11 H new ATOM 0 HB3 GLN A 52 10.398 3.655 -5.145 1.00 1.11 H new ATOM 0 HG2 GLN A 52 9.031 5.483 -5.197 1.00 33.35 H new ATOM 0 HG3 GLN A 52 7.865 4.311 -4.616 1.00 33.35 H new ATOM 0 HE21 GLN A 52 7.900 7.228 -4.272 1.00 45.25 H new ATOM 0 HE22 GLN A 52 7.906 7.520 -2.529 1.00 45.25 H new ATOM 802 N SER A 53 11.117 1.268 -2.292 1.00 24.41 N ATOM 803 CA SER A 53 12.244 0.360 -2.029 1.00 50.05 C ATOM 804 C SER A 53 11.769 -1.090 -1.866 1.00 63.44 C ATOM 805 O SER A 53 12.527 -2.033 -2.099 1.00 60.44 O ATOM 806 CB SER A 53 13.001 0.797 -0.768 1.00 42.40 C ATOM 807 OG SER A 53 13.507 2.117 -0.899 1.00 41.11 O ATOM 0 H SER A 53 10.721 1.697 -1.456 1.00 24.41 H new ATOM 0 HA SER A 53 12.912 0.409 -2.889 1.00 50.05 H new ATOM 0 HB2 SER A 53 12.336 0.745 0.094 1.00 42.40 H new ATOM 0 HB3 SER A 53 13.824 0.108 -0.578 1.00 42.40 H new ATOM 0 HG SER A 53 13.983 2.368 -0.080 1.00 41.11 H new ATOM 813 N VAL A 54 10.510 -1.260 -1.466 1.00 14.35 N ATOM 814 CA VAL A 54 9.938 -2.590 -1.237 1.00 32.30 C ATOM 815 C VAL A 54 9.333 -3.175 -2.523 1.00 53.13 C ATOM 816 O VAL A 54 9.686 -4.279 -2.945 1.00 64.23 O ATOM 817 CB VAL A 54 8.846 -2.544 -0.138 1.00 2.31 C ATOM 818 CG1 VAL A 54 8.292 -3.941 0.141 1.00 73.51 C ATOM 819 CG2 VAL A 54 9.393 -1.910 1.142 1.00 44.33 C ATOM 0 H VAL A 54 9.863 -0.491 -1.293 1.00 14.35 H new ATOM 0 HA VAL A 54 10.755 -3.232 -0.909 1.00 32.30 H new ATOM 0 HB VAL A 54 8.026 -1.924 -0.502 1.00 2.31 H new ATOM 0 HG11 VAL A 54 7.528 -3.881 0.916 1.00 73.51 H new ATOM 0 HG12 VAL A 54 7.854 -4.347 -0.771 1.00 73.51 H new ATOM 0 HG13 VAL A 54 9.099 -4.592 0.477 1.00 73.51 H new ATOM 0 HG21 VAL A 54 8.610 -1.888 1.900 1.00 44.33 H new ATOM 0 HG22 VAL A 54 10.236 -2.497 1.507 1.00 44.33 H new ATOM 0 HG23 VAL A 54 9.724 -0.893 0.932 1.00 44.33 H new ATOM 829 N GLY A 55 8.418 -2.429 -3.138 1.00 33.55 N ATOM 830 CA GLY A 55 7.750 -2.898 -4.350 1.00 4.21 C ATOM 831 C GLY A 55 6.235 -2.981 -4.189 1.00 31.04 C ATOM 832 O GLY A 55 5.527 -2.002 -4.424 1.00 20.33 O ATOM 0 H GLY A 55 8.124 -1.505 -2.821 1.00 33.55 H new ATOM 0 HA2 GLY A 55 7.988 -2.226 -5.175 1.00 4.21 H new ATOM 0 HA3 GLY A 55 8.138 -3.881 -4.617 1.00 4.21 H new ATOM 836 N TRP A 56 5.734 -4.147 -3.792 1.00 2.13 N ATOM 837 CA TRP A 56 4.293 -4.339 -3.566 1.00 45.40 C ATOM 838 C TRP A 56 3.995 -4.779 -2.122 1.00 11.23 C ATOM 839 O TRP A 56 4.747 -5.550 -1.526 1.00 53.34 O ATOM 840 CB TRP A 56 3.708 -5.349 -4.577 1.00 53.04 C ATOM 841 CG TRP A 56 4.540 -6.588 -4.796 1.00 31.44 C ATOM 842 CD1 TRP A 56 5.216 -7.314 -3.856 1.00 54.41 C ATOM 843 CD2 TRP A 56 4.759 -7.259 -6.044 1.00 22.13 C ATOM 844 NE1 TRP A 56 5.853 -8.375 -4.445 1.00 51.13 N ATOM 845 CE2 TRP A 56 5.586 -8.366 -5.786 1.00 44.45 C ATOM 846 CE3 TRP A 56 4.341 -7.023 -7.358 1.00 12.10 C ATOM 847 CZ2 TRP A 56 5.998 -9.241 -6.787 1.00 72.55 C ATOM 848 CZ3 TRP A 56 4.750 -7.893 -8.352 1.00 53.32 C ATOM 849 CH2 TRP A 56 5.574 -8.988 -8.062 1.00 32.22 C ATOM 0 H TRP A 56 6.300 -4.978 -3.618 1.00 2.13 H new ATOM 0 HA TRP A 56 3.808 -3.375 -3.721 1.00 45.40 H new ATOM 0 HB2 TRP A 56 2.718 -5.650 -4.235 1.00 53.04 H new ATOM 0 HB3 TRP A 56 3.575 -4.846 -5.534 1.00 53.04 H new ATOM 0 HD1 TRP A 56 5.244 -7.085 -2.801 1.00 54.41 H new ATOM 0 HE1 TRP A 56 6.433 -9.061 -3.961 1.00 51.13 H new ATOM 0 HE3 TRP A 56 3.711 -6.178 -7.592 1.00 12.10 H new ATOM 0 HZ2 TRP A 56 6.629 -10.089 -6.565 1.00 72.55 H new ATOM 0 HZ3 TRP A 56 4.429 -7.725 -9.369 1.00 53.32 H new ATOM 0 HH2 TRP A 56 5.881 -9.646 -8.862 1.00 32.22 H new ATOM 860 N MET A 57 2.904 -4.261 -1.554 1.00 51.34 N ATOM 861 CA MET A 57 2.478 -4.639 -0.198 1.00 23.21 C ATOM 862 C MET A 57 0.952 -4.831 -0.134 1.00 34.10 C ATOM 863 O MET A 57 0.206 -4.158 -0.844 1.00 5.02 O ATOM 864 CB MET A 57 2.899 -3.577 0.835 1.00 60.20 C ATOM 865 CG MET A 57 4.398 -3.290 0.883 1.00 14.41 C ATOM 866 SD MET A 57 4.970 -2.278 -0.500 1.00 5.51 S ATOM 867 CE MET A 57 4.058 -0.764 -0.210 1.00 62.00 C ATOM 0 H MET A 57 2.297 -3.579 -2.009 1.00 51.34 H new ATOM 0 HA MET A 57 2.969 -5.582 0.043 1.00 23.21 H new ATOM 0 HB2 MET A 57 2.372 -2.648 0.616 1.00 60.20 H new ATOM 0 HB3 MET A 57 2.574 -3.902 1.823 1.00 60.20 H new ATOM 0 HG2 MET A 57 4.635 -2.784 1.819 1.00 14.41 H new ATOM 0 HG3 MET A 57 4.943 -4.234 0.885 1.00 14.41 H new ATOM 0 HE1 MET A 57 3.228 -0.699 -0.914 1.00 62.00 H new ATOM 0 HE2 MET A 57 3.671 -0.762 0.809 1.00 62.00 H new ATOM 0 HE3 MET A 57 4.719 0.091 -0.348 1.00 62.00 H new ATOM 877 N PRO A 58 0.465 -5.764 0.708 1.00 20.14 N ATOM 878 CA PRO A 58 -0.979 -5.954 0.923 1.00 23.30 C ATOM 879 C PRO A 58 -1.584 -4.909 1.883 1.00 22.02 C ATOM 880 O PRO A 58 -1.101 -4.721 3.002 1.00 4.35 O ATOM 881 CB PRO A 58 -1.047 -7.356 1.530 1.00 13.40 C ATOM 882 CG PRO A 58 0.241 -7.507 2.270 1.00 64.31 C ATOM 883 CD PRO A 58 1.270 -6.725 1.490 1.00 0.20 C ATOM 0 HA PRO A 58 -1.552 -5.838 0.003 1.00 23.30 H new ATOM 0 HB2 PRO A 58 -1.902 -7.458 2.198 1.00 13.40 H new ATOM 0 HB3 PRO A 58 -1.153 -8.118 0.758 1.00 13.40 H new ATOM 0 HG2 PRO A 58 0.152 -7.126 3.287 1.00 64.31 H new ATOM 0 HG3 PRO A 58 0.525 -8.557 2.346 1.00 64.31 H new ATOM 0 HD2 PRO A 58 1.970 -6.215 2.151 1.00 0.20 H new ATOM 0 HD3 PRO A 58 1.859 -7.374 0.842 1.00 0.20 H new ATOM 891 N GLY A 59 -2.645 -4.231 1.441 1.00 32.21 N ATOM 892 CA GLY A 59 -3.289 -3.214 2.272 1.00 65.31 C ATOM 893 C GLY A 59 -4.775 -3.031 1.970 1.00 14.31 C ATOM 894 O GLY A 59 -5.299 -3.599 1.008 1.00 24.01 O ATOM 0 H GLY A 59 -3.072 -4.365 0.524 1.00 32.21 H new ATOM 0 HA2 GLY A 59 -3.170 -3.485 3.321 1.00 65.31 H new ATOM 0 HA3 GLY A 59 -2.777 -2.262 2.129 1.00 65.31 H new ATOM 898 N LEU A 60 -5.447 -2.227 2.791 1.00 34.42 N ATOM 899 CA LEU A 60 -6.888 -1.987 2.647 1.00 5.23 C ATOM 900 C LEU A 60 -7.168 -0.681 1.882 1.00 22.13 C ATOM 901 O LEU A 60 -6.772 0.398 2.321 1.00 4.32 O ATOM 902 CB LEU A 60 -7.545 -1.930 4.036 1.00 15.14 C ATOM 903 CG LEU A 60 -9.076 -1.747 4.041 1.00 51.24 C ATOM 904 CD1 LEU A 60 -9.772 -2.956 3.420 1.00 71.22 C ATOM 905 CD2 LEU A 60 -9.587 -1.497 5.458 1.00 71.42 C ATOM 0 H LEU A 60 -5.017 -1.726 3.569 1.00 34.42 H new ATOM 0 HA LEU A 60 -7.313 -2.810 2.072 1.00 5.23 H new ATOM 0 HB2 LEU A 60 -7.305 -2.850 4.570 1.00 15.14 H new ATOM 0 HB3 LEU A 60 -7.097 -1.110 4.597 1.00 15.14 H new ATOM 0 HG LEU A 60 -9.313 -0.873 3.435 1.00 51.24 H new ATOM 0 HD11 LEU A 60 -10.851 -2.802 3.435 1.00 71.22 H new ATOM 0 HD12 LEU A 60 -9.438 -3.079 2.390 1.00 71.22 H new ATOM 0 HD13 LEU A 60 -9.525 -3.851 3.991 1.00 71.22 H new ATOM 0 HD21 LEU A 60 -10.669 -1.371 5.437 1.00 71.42 H new ATOM 0 HD22 LEU A 60 -9.333 -2.347 6.092 1.00 71.42 H new ATOM 0 HD23 LEU A 60 -9.124 -0.595 5.858 1.00 71.42 H new ATOM 917 N ASN A 61 -7.846 -0.793 0.737 1.00 71.14 N ATOM 918 CA ASN A 61 -8.252 0.382 -0.054 1.00 31.40 C ATOM 919 C ASN A 61 -9.652 0.861 0.368 1.00 12.10 C ATOM 920 O ASN A 61 -10.626 0.113 0.276 1.00 54.32 O ATOM 921 CB ASN A 61 -8.240 0.039 -1.551 1.00 24.34 C ATOM 922 CG ASN A 61 -8.724 1.189 -2.418 1.00 55.43 C ATOM 923 OD1 ASN A 61 -9.914 1.314 -2.698 1.00 22.44 O ATOM 924 ND2 ASN A 61 -7.814 2.041 -2.840 1.00 12.02 N ATOM 0 H ASN A 61 -8.128 -1.686 0.332 1.00 71.14 H new ATOM 0 HA ASN A 61 -7.541 1.187 0.132 1.00 31.40 H new ATOM 0 HB2 ASN A 61 -7.228 -0.235 -1.849 1.00 24.34 H new ATOM 0 HB3 ASN A 61 -8.871 -0.833 -1.725 1.00 24.34 H new ATOM 0 HD21 ASN A 61 -8.088 2.835 -3.418 1.00 12.02 H new ATOM 0 HD22 ASN A 61 -6.835 1.907 -2.589 1.00 12.02 H new ATOM 931 N GLU A 62 -9.756 2.115 0.808 1.00 73.45 N ATOM 932 CA GLU A 62 -11.020 2.632 1.361 1.00 14.53 C ATOM 933 C GLU A 62 -12.104 2.901 0.295 1.00 72.24 C ATOM 934 O GLU A 62 -13.251 3.185 0.646 1.00 51.21 O ATOM 935 CB GLU A 62 -10.771 3.901 2.189 1.00 73.51 C ATOM 936 CG GLU A 62 -9.839 3.688 3.382 1.00 42.32 C ATOM 937 CD GLU A 62 -9.901 4.821 4.403 1.00 42.21 C ATOM 938 OE1 GLU A 62 -10.051 5.997 4.001 1.00 5.13 O ATOM 939 OE2 GLU A 62 -9.823 4.535 5.620 1.00 3.14 O ATOM 0 H GLU A 62 -8.992 2.790 0.795 1.00 73.45 H new ATOM 0 HA GLU A 62 -11.407 1.840 2.002 1.00 14.53 H new ATOM 0 HB2 GLU A 62 -10.347 4.668 1.541 1.00 73.51 H new ATOM 0 HB3 GLU A 62 -11.727 4.281 2.550 1.00 73.51 H new ATOM 0 HG2 GLU A 62 -10.097 2.750 3.874 1.00 42.32 H new ATOM 0 HG3 GLU A 62 -8.815 3.588 3.022 1.00 42.32 H new ATOM 946 N ARG A 63 -11.769 2.811 -0.997 1.00 71.23 N ATOM 947 CA ARG A 63 -12.778 2.993 -2.058 1.00 35.12 C ATOM 948 C ARG A 63 -13.578 1.704 -2.287 1.00 54.35 C ATOM 949 O ARG A 63 -14.810 1.706 -2.239 1.00 54.44 O ATOM 950 CB ARG A 63 -12.144 3.444 -3.383 1.00 65.04 C ATOM 951 CG ARG A 63 -11.364 4.747 -3.291 1.00 23.31 C ATOM 952 CD ARG A 63 -11.087 5.327 -4.673 1.00 43.54 C ATOM 953 NE ARG A 63 -10.095 6.396 -4.638 1.00 32.43 N ATOM 954 CZ ARG A 63 -10.359 7.663 -4.812 1.00 44.54 C ATOM 955 NH1 ARG A 63 -11.578 8.084 -4.918 1.00 45.15 N ATOM 956 NH2 ARG A 63 -9.389 8.512 -4.874 1.00 43.01 N ATOM 0 H ARG A 63 -10.826 2.617 -1.334 1.00 71.23 H new ATOM 0 HA ARG A 63 -13.452 3.778 -1.715 1.00 35.12 H new ATOM 0 HB2 ARG A 63 -11.477 2.659 -3.739 1.00 65.04 H new ATOM 0 HB3 ARG A 63 -12.931 3.557 -4.129 1.00 65.04 H new ATOM 0 HG2 ARG A 63 -11.926 5.468 -2.698 1.00 23.31 H new ATOM 0 HG3 ARG A 63 -10.421 4.573 -2.772 1.00 23.31 H new ATOM 0 HD2 ARG A 63 -10.739 4.533 -5.334 1.00 43.54 H new ATOM 0 HD3 ARG A 63 -12.016 5.710 -5.096 1.00 43.54 H new ATOM 0 HE ARG A 63 -9.124 6.135 -4.465 1.00 32.43 H new ATOM 0 HH11 ARG A 63 -12.352 7.422 -4.866 1.00 45.15 H new ATOM 0 HH12 ARG A 63 -11.764 9.078 -5.054 1.00 45.15 H new ATOM 0 HH21 ARG A 63 -8.425 8.192 -4.787 1.00 43.01 H new ATOM 0 HH22 ARG A 63 -9.587 9.503 -5.010 1.00 43.01 H new ATOM 970 N THR A 64 -12.873 0.606 -2.544 1.00 23.34 N ATOM 971 CA THR A 64 -13.515 -0.703 -2.732 1.00 72.30 C ATOM 972 C THR A 64 -13.719 -1.424 -1.392 1.00 61.12 C ATOM 973 O THR A 64 -14.425 -2.427 -1.319 1.00 4.21 O ATOM 974 CB THR A 64 -12.683 -1.612 -3.668 1.00 22.21 C ATOM 975 OG1 THR A 64 -11.354 -1.773 -3.146 1.00 75.14 O ATOM 976 CG2 THR A 64 -12.615 -1.034 -5.078 1.00 75.42 C ATOM 0 H THR A 64 -11.857 0.591 -2.628 1.00 23.34 H new ATOM 0 HA THR A 64 -14.486 -0.511 -3.189 1.00 72.30 H new ATOM 0 HB THR A 64 -13.174 -2.584 -3.718 1.00 22.21 H new ATOM 0 HG1 THR A 64 -10.836 -2.351 -3.744 1.00 75.14 H new ATOM 0 HG21 THR A 64 -12.024 -1.694 -5.714 1.00 75.42 H new ATOM 0 HG22 THR A 64 -13.623 -0.946 -5.484 1.00 75.42 H new ATOM 0 HG23 THR A 64 -12.149 -0.049 -5.045 1.00 75.42 H new ATOM 984 N ARG A 65 -13.090 -0.896 -0.335 1.00 21.20 N ATOM 985 CA ARG A 65 -13.168 -1.472 1.019 1.00 2.42 C ATOM 986 C ARG A 65 -12.571 -2.891 1.069 1.00 30.22 C ATOM 987 O ARG A 65 -12.795 -3.643 2.024 1.00 3.11 O ATOM 988 CB ARG A 65 -14.616 -1.489 1.550 1.00 52.01 C ATOM 989 CG ARG A 65 -15.268 -0.108 1.696 1.00 43.21 C ATOM 990 CD ARG A 65 -15.931 0.355 0.402 1.00 24.24 C ATOM 991 NE ARG A 65 -16.951 -0.592 -0.049 1.00 34.31 N ATOM 992 CZ ARG A 65 -17.492 -0.595 -1.237 1.00 32.10 C ATOM 993 NH1 ARG A 65 -17.155 0.285 -2.124 1.00 74.44 N ATOM 994 NH2 ARG A 65 -18.376 -1.490 -1.530 1.00 54.14 N ATOM 0 H ARG A 65 -12.512 -0.058 -0.391 1.00 21.20 H new ATOM 0 HA ARG A 65 -12.574 -0.826 1.666 1.00 2.42 H new ATOM 0 HB2 ARG A 65 -15.226 -2.093 0.879 1.00 52.01 H new ATOM 0 HB3 ARG A 65 -14.625 -1.983 2.521 1.00 52.01 H new ATOM 0 HG2 ARG A 65 -16.012 -0.141 2.492 1.00 43.21 H new ATOM 0 HG3 ARG A 65 -14.513 0.619 1.996 1.00 43.21 H new ATOM 0 HD2 ARG A 65 -16.385 1.334 0.555 1.00 24.24 H new ATOM 0 HD3 ARG A 65 -15.174 0.472 -0.374 1.00 24.24 H new ATOM 0 HE ARG A 65 -17.262 -1.302 0.614 1.00 34.31 H new ATOM 0 HH11 ARG A 65 -16.457 0.994 -1.899 1.00 74.44 H new ATOM 0 HH12 ARG A 65 -17.587 0.269 -3.048 1.00 74.44 H new ATOM 0 HH21 ARG A 65 -18.646 -2.187 -0.836 1.00 54.14 H new ATOM 0 HH22 ARG A 65 -18.804 -1.500 -2.456 1.00 54.14 H new ATOM 1008 N GLN A 66 -11.787 -3.244 0.049 1.00 34.15 N ATOM 1009 CA GLN A 66 -11.179 -4.576 -0.044 1.00 51.53 C ATOM 1010 C GLN A 66 -9.665 -4.525 0.235 1.00 61.35 C ATOM 1011 O GLN A 66 -9.011 -3.501 0.015 1.00 33.34 O ATOM 1012 CB GLN A 66 -11.424 -5.177 -1.439 1.00 21.12 C ATOM 1013 CG GLN A 66 -12.879 -5.121 -1.902 1.00 53.14 C ATOM 1014 CD GLN A 66 -13.838 -5.890 -1.002 1.00 74.53 C ATOM 1015 OE1 GLN A 66 -13.478 -6.891 -0.390 1.00 1.52 O ATOM 1016 NE2 GLN A 66 -15.069 -5.427 -0.915 1.00 72.33 N ATOM 0 H GLN A 66 -11.556 -2.625 -0.728 1.00 34.15 H new ATOM 0 HA GLN A 66 -11.647 -5.205 0.713 1.00 51.53 H new ATOM 0 HB2 GLN A 66 -10.804 -4.649 -2.163 1.00 21.12 H new ATOM 0 HB3 GLN A 66 -11.096 -6.216 -1.437 1.00 21.12 H new ATOM 0 HG2 GLN A 66 -13.196 -4.079 -1.950 1.00 53.14 H new ATOM 0 HG3 GLN A 66 -12.945 -5.521 -2.914 1.00 53.14 H new ATOM 0 HE21 GLN A 66 -15.338 -4.592 -1.436 1.00 72.33 H new ATOM 0 HE22 GLN A 66 -15.753 -5.903 -0.327 1.00 72.33 H new ATOM 1025 N ARG A 67 -9.116 -5.634 0.724 1.00 52.41 N ATOM 1026 CA ARG A 67 -7.670 -5.746 0.966 1.00 24.54 C ATOM 1027 C ARG A 67 -6.968 -6.480 -0.189 1.00 63.22 C ATOM 1028 O ARG A 67 -7.391 -7.560 -0.606 1.00 41.40 O ATOM 1029 CB ARG A 67 -7.388 -6.463 2.302 1.00 63.13 C ATOM 1030 CG ARG A 67 -8.428 -7.521 2.672 1.00 42.54 C ATOM 1031 CD ARG A 67 -7.857 -8.616 3.569 1.00 22.11 C ATOM 1032 NE ARG A 67 -7.025 -9.551 2.817 1.00 51.13 N ATOM 1033 CZ ARG A 67 -7.498 -10.523 2.076 1.00 11.30 C ATOM 1034 NH1 ARG A 67 -8.772 -10.733 1.995 1.00 72.42 N ATOM 1035 NH2 ARG A 67 -6.693 -11.299 1.433 1.00 65.14 N ATOM 0 H ARG A 67 -9.647 -6.472 0.962 1.00 52.41 H new ATOM 0 HA ARG A 67 -7.268 -4.734 1.024 1.00 24.54 H new ATOM 0 HB2 ARG A 67 -6.407 -6.936 2.249 1.00 63.13 H new ATOM 0 HB3 ARG A 67 -7.341 -5.720 3.098 1.00 63.13 H new ATOM 0 HG2 ARG A 67 -9.265 -7.041 3.179 1.00 42.54 H new ATOM 0 HG3 ARG A 67 -8.823 -7.971 1.761 1.00 42.54 H new ATOM 0 HD2 ARG A 67 -7.267 -8.163 4.365 1.00 22.11 H new ATOM 0 HD3 ARG A 67 -8.673 -9.158 4.046 1.00 22.11 H new ATOM 0 HE ARG A 67 -6.012 -9.441 2.872 1.00 51.13 H new ATOM 0 HH11 ARG A 67 -9.421 -10.139 2.511 1.00 72.42 H new ATOM 0 HH12 ARG A 67 -9.128 -11.493 1.415 1.00 72.42 H new ATOM 0 HH21 ARG A 67 -5.685 -11.157 1.500 1.00 65.14 H new ATOM 0 HH22 ARG A 67 -7.064 -12.055 0.857 1.00 65.14 H new ATOM 1049 N GLY A 68 -5.898 -5.882 -0.705 1.00 44.02 N ATOM 1050 CA GLY A 68 -5.157 -6.482 -1.810 1.00 21.21 C ATOM 1051 C GLY A 68 -3.715 -5.995 -1.899 1.00 2.14 C ATOM 1052 O GLY A 68 -3.313 -5.086 -1.176 1.00 73.43 O ATOM 0 H GLY A 68 -5.527 -4.990 -0.379 1.00 44.02 H new ATOM 0 HA2 GLY A 68 -5.161 -7.566 -1.696 1.00 21.21 H new ATOM 0 HA3 GLY A 68 -5.668 -6.258 -2.746 1.00 21.21 H new ATOM 1056 N ASP A 69 -2.936 -6.593 -2.799 1.00 23.44 N ATOM 1057 CA ASP A 69 -1.522 -6.235 -2.970 1.00 54.44 C ATOM 1058 C ASP A 69 -1.367 -5.085 -3.981 1.00 74.54 C ATOM 1059 O ASP A 69 -1.746 -5.212 -5.148 1.00 75.11 O ATOM 1060 CB ASP A 69 -0.729 -7.464 -3.436 1.00 73.40 C ATOM 1061 CG ASP A 69 -0.971 -8.672 -2.549 1.00 73.42 C ATOM 1062 OD1 ASP A 69 -1.985 -9.375 -2.762 1.00 52.54 O ATOM 1063 OD2 ASP A 69 -0.168 -8.916 -1.625 1.00 43.13 O ATOM 0 H ASP A 69 -3.258 -7.331 -3.425 1.00 23.44 H new ATOM 0 HA ASP A 69 -1.129 -5.897 -2.011 1.00 54.44 H new ATOM 0 HB2 ASP A 69 -1.007 -7.707 -4.462 1.00 73.40 H new ATOM 0 HB3 ASP A 69 0.335 -7.227 -3.442 1.00 73.40 H new ATOM 1068 N PHE A 70 -0.819 -3.960 -3.524 1.00 12.31 N ATOM 1069 CA PHE A 70 -0.683 -2.760 -4.363 1.00 3.54 C ATOM 1070 C PHE A 70 0.794 -2.369 -4.579 1.00 44.45 C ATOM 1071 O PHE A 70 1.641 -2.602 -3.712 1.00 14.13 O ATOM 1072 CB PHE A 70 -1.446 -1.583 -3.724 1.00 42.13 C ATOM 1073 CG PHE A 70 -0.939 -1.186 -2.356 1.00 41.14 C ATOM 1074 CD1 PHE A 70 0.099 -0.269 -2.217 1.00 2.01 C ATOM 1075 CD2 PHE A 70 -1.502 -1.726 -1.205 1.00 24.10 C ATOM 1076 CE1 PHE A 70 0.561 0.094 -0.966 1.00 74.12 C ATOM 1077 CE2 PHE A 70 -1.041 -1.362 0.047 1.00 75.34 C ATOM 1078 CZ PHE A 70 -0.009 -0.451 0.165 1.00 61.12 C ATOM 0 H PHE A 70 -0.460 -3.850 -2.576 1.00 12.31 H new ATOM 0 HA PHE A 70 -1.110 -2.992 -5.339 1.00 3.54 H new ATOM 0 HB2 PHE A 70 -1.382 -0.720 -4.387 1.00 42.13 H new ATOM 0 HB3 PHE A 70 -2.500 -1.848 -3.646 1.00 42.13 H new ATOM 0 HD1 PHE A 70 0.549 0.164 -3.098 1.00 2.01 H new ATOM 0 HD2 PHE A 70 -2.309 -2.438 -1.290 1.00 24.10 H new ATOM 0 HE1 PHE A 70 1.369 0.805 -0.874 1.00 74.12 H new ATOM 0 HE2 PHE A 70 -1.488 -1.790 0.932 1.00 75.34 H new ATOM 0 HZ PHE A 70 0.351 -0.166 1.143 1.00 61.12 H new ATOM 1088 N PRO A 71 1.120 -1.771 -5.745 1.00 14.20 N ATOM 1089 CA PRO A 71 2.464 -1.227 -6.009 1.00 40.15 C ATOM 1090 C PRO A 71 2.727 0.086 -5.241 1.00 2.42 C ATOM 1091 O PRO A 71 2.159 1.137 -5.556 1.00 4.23 O ATOM 1092 CB PRO A 71 2.454 -0.987 -7.523 1.00 52.22 C ATOM 1093 CG PRO A 71 1.017 -0.757 -7.859 1.00 23.35 C ATOM 1094 CD PRO A 71 0.217 -1.602 -6.901 1.00 14.24 C ATOM 0 HA PRO A 71 3.255 -1.901 -5.680 1.00 40.15 H new ATOM 0 HB2 PRO A 71 3.067 -0.126 -7.792 1.00 52.22 H new ATOM 0 HB3 PRO A 71 2.855 -1.845 -8.063 1.00 52.22 H new ATOM 0 HG2 PRO A 71 0.758 0.297 -7.757 1.00 23.35 H new ATOM 0 HG3 PRO A 71 0.810 -1.038 -8.892 1.00 23.35 H new ATOM 0 HD2 PRO A 71 -0.713 -1.111 -6.614 1.00 14.24 H new ATOM 0 HD3 PRO A 71 -0.052 -2.562 -7.342 1.00 14.24 H new ATOM 1102 N GLY A 72 3.598 0.014 -4.236 1.00 41.33 N ATOM 1103 CA GLY A 72 3.836 1.147 -3.344 1.00 3.31 C ATOM 1104 C GLY A 72 4.433 2.387 -4.015 1.00 53.44 C ATOM 1105 O GLY A 72 4.366 3.482 -3.460 1.00 64.11 O ATOM 0 H GLY A 72 4.150 -0.816 -4.019 1.00 41.33 H new ATOM 0 HA2 GLY A 72 2.892 1.425 -2.876 1.00 3.31 H new ATOM 0 HA3 GLY A 72 4.506 0.827 -2.546 1.00 3.31 H new ATOM 1109 N THR A 73 5.010 2.232 -5.199 1.00 2.53 N ATOM 1110 CA THR A 73 5.650 3.361 -5.898 1.00 2.21 C ATOM 1111 C THR A 73 4.638 4.443 -6.314 1.00 15.03 C ATOM 1112 O THR A 73 5.018 5.568 -6.641 1.00 3.52 O ATOM 1113 CB THR A 73 6.436 2.889 -7.146 1.00 54.42 C ATOM 1114 OG1 THR A 73 7.156 3.985 -7.728 1.00 1.24 O ATOM 1115 CG2 THR A 73 5.512 2.278 -8.193 1.00 1.12 C ATOM 0 H THR A 73 5.053 1.345 -5.701 1.00 2.53 H new ATOM 0 HA THR A 73 6.345 3.798 -5.182 1.00 2.21 H new ATOM 0 HB THR A 73 7.138 2.123 -6.817 1.00 54.42 H new ATOM 0 HG1 THR A 73 6.750 4.831 -7.444 1.00 1.24 H new ATOM 0 HG21 THR A 73 6.099 1.958 -9.054 1.00 1.12 H new ATOM 0 HG22 THR A 73 4.996 1.418 -7.766 1.00 1.12 H new ATOM 0 HG23 THR A 73 4.779 3.020 -8.509 1.00 1.12 H new ATOM 1123 N TYR A 74 3.347 4.104 -6.291 1.00 34.32 N ATOM 1124 CA TYR A 74 2.286 5.051 -6.670 1.00 4.32 C ATOM 1125 C TYR A 74 1.611 5.687 -5.442 1.00 21.41 C ATOM 1126 O TYR A 74 0.665 6.465 -5.582 1.00 74.42 O ATOM 1127 CB TYR A 74 1.225 4.350 -7.533 1.00 22.13 C ATOM 1128 CG TYR A 74 1.766 3.783 -8.835 1.00 12.34 C ATOM 1129 CD1 TYR A 74 1.918 4.587 -9.962 1.00 12.42 C ATOM 1130 CD2 TYR A 74 2.128 2.444 -8.935 1.00 40.11 C ATOM 1131 CE1 TYR A 74 2.415 4.072 -11.145 1.00 72.44 C ATOM 1132 CE2 TYR A 74 2.625 1.924 -10.115 1.00 11.02 C ATOM 1133 CZ TYR A 74 2.767 2.741 -11.214 1.00 52.12 C ATOM 1134 OH TYR A 74 3.260 2.224 -12.391 1.00 23.01 O ATOM 0 H TYR A 74 3.007 3.183 -6.015 1.00 34.32 H new ATOM 0 HA TYR A 74 2.760 5.848 -7.243 1.00 4.32 H new ATOM 0 HB2 TYR A 74 0.777 3.542 -6.955 1.00 22.13 H new ATOM 0 HB3 TYR A 74 0.429 5.059 -7.760 1.00 22.13 H new ATOM 0 HD1 TYR A 74 1.643 5.630 -9.911 1.00 12.42 H new ATOM 0 HD2 TYR A 74 2.019 1.799 -8.075 1.00 40.11 H new ATOM 0 HE1 TYR A 74 2.527 4.709 -12.010 1.00 72.44 H new ATOM 0 HE2 TYR A 74 2.901 0.882 -10.175 1.00 11.02 H new ATOM 0 HH TYR A 74 2.624 1.573 -12.754 1.00 23.01 H new ATOM 1144 N VAL A 75 2.092 5.364 -4.241 1.00 14.32 N ATOM 1145 CA VAL A 75 1.490 5.885 -3.004 1.00 64.34 C ATOM 1146 C VAL A 75 2.516 6.622 -2.127 1.00 12.24 C ATOM 1147 O VAL A 75 3.714 6.343 -2.182 1.00 11.54 O ATOM 1148 CB VAL A 75 0.828 4.758 -2.165 1.00 4.54 C ATOM 1149 CG1 VAL A 75 -0.258 4.049 -2.970 1.00 20.34 C ATOM 1150 CG2 VAL A 75 1.868 3.757 -1.666 1.00 40.01 C ATOM 0 H VAL A 75 2.892 4.748 -4.094 1.00 14.32 H new ATOM 0 HA VAL A 75 0.724 6.592 -3.322 1.00 64.34 H new ATOM 0 HB VAL A 75 0.363 5.221 -1.295 1.00 4.54 H new ATOM 0 HG11 VAL A 75 -0.707 3.264 -2.362 1.00 20.34 H new ATOM 0 HG12 VAL A 75 -1.025 4.768 -3.259 1.00 20.34 H new ATOM 0 HG13 VAL A 75 0.182 3.608 -3.865 1.00 20.34 H new ATOM 0 HG21 VAL A 75 1.374 2.980 -1.082 1.00 40.01 H new ATOM 0 HG22 VAL A 75 2.375 3.304 -2.518 1.00 40.01 H new ATOM 0 HG23 VAL A 75 2.598 4.272 -1.041 1.00 40.01 H new ATOM 1160 N GLU A 76 2.037 7.570 -1.321 1.00 13.54 N ATOM 1161 CA GLU A 76 2.901 8.299 -0.381 1.00 34.44 C ATOM 1162 C GLU A 76 2.769 7.742 1.046 1.00 53.44 C ATOM 1163 O GLU A 76 1.737 7.172 1.408 1.00 53.53 O ATOM 1164 CB GLU A 76 2.556 9.796 -0.380 1.00 21.43 C ATOM 1165 CG GLU A 76 1.175 10.118 0.188 1.00 54.24 C ATOM 1166 CD GLU A 76 0.924 11.613 0.315 1.00 13.34 C ATOM 1167 OE1 GLU A 76 1.519 12.244 1.213 1.00 3.12 O ATOM 1168 OE2 GLU A 76 0.139 12.167 -0.482 1.00 1.44 O ATOM 0 H GLU A 76 1.057 7.854 -1.297 1.00 13.54 H new ATOM 0 HA GLU A 76 3.931 8.166 -0.713 1.00 34.44 H new ATOM 0 HB2 GLU A 76 3.309 10.331 0.199 1.00 21.43 H new ATOM 0 HB3 GLU A 76 2.613 10.172 -1.402 1.00 21.43 H new ATOM 0 HG2 GLU A 76 0.412 9.679 -0.454 1.00 54.24 H new ATOM 0 HG3 GLU A 76 1.073 9.652 1.168 1.00 54.24 H new ATOM 1175 N PHE A 77 3.811 7.920 1.857 1.00 1.43 N ATOM 1176 CA PHE A 77 3.789 7.468 3.253 1.00 33.31 C ATOM 1177 C PHE A 77 3.248 8.568 4.183 1.00 3.23 C ATOM 1178 O PHE A 77 3.878 9.615 4.354 1.00 31.41 O ATOM 1179 CB PHE A 77 5.198 7.043 3.697 1.00 32.44 C ATOM 1180 CG PHE A 77 5.265 6.558 5.126 1.00 33.22 C ATOM 1181 CD1 PHE A 77 4.849 5.276 5.458 1.00 44.21 C ATOM 1182 CD2 PHE A 77 5.744 7.384 6.135 1.00 54.02 C ATOM 1183 CE1 PHE A 77 4.905 4.831 6.765 1.00 1.14 C ATOM 1184 CE2 PHE A 77 5.801 6.943 7.443 1.00 21.44 C ATOM 1185 CZ PHE A 77 5.383 5.664 7.757 1.00 45.34 C ATOM 0 H PHE A 77 4.680 8.373 1.575 1.00 1.43 H new ATOM 0 HA PHE A 77 3.121 6.609 3.320 1.00 33.31 H new ATOM 0 HB2 PHE A 77 5.554 6.252 3.037 1.00 32.44 H new ATOM 0 HB3 PHE A 77 5.877 7.887 3.577 1.00 32.44 H new ATOM 0 HD1 PHE A 77 4.477 4.619 4.686 1.00 44.21 H new ATOM 0 HD2 PHE A 77 6.076 8.383 5.894 1.00 54.02 H new ATOM 0 HE1 PHE A 77 4.575 3.832 7.010 1.00 1.14 H new ATOM 0 HE2 PHE A 77 6.172 7.597 8.219 1.00 21.44 H new ATOM 0 HZ PHE A 77 5.430 5.316 8.778 1.00 45.34 H new ATOM 1195 N LEU A 78 2.082 8.319 4.780 1.00 41.53 N ATOM 1196 CA LEU A 78 1.446 9.289 5.683 1.00 74.11 C ATOM 1197 C LEU A 78 1.984 9.161 7.118 1.00 24.20 C ATOM 1198 O LEU A 78 2.567 10.100 7.663 1.00 4.10 O ATOM 1199 CB LEU A 78 -0.080 9.089 5.682 1.00 33.14 C ATOM 1200 CG LEU A 78 -0.757 9.193 4.307 1.00 2.21 C ATOM 1201 CD1 LEU A 78 -2.261 8.949 4.421 1.00 41.33 C ATOM 1202 CD2 LEU A 78 -0.476 10.552 3.671 1.00 23.41 C ATOM 0 H LEU A 78 1.555 7.454 4.657 1.00 41.53 H new ATOM 0 HA LEU A 78 1.685 10.288 5.319 1.00 74.11 H new ATOM 0 HB2 LEU A 78 -0.301 8.109 6.104 1.00 33.14 H new ATOM 0 HB3 LEU A 78 -0.527 9.830 6.345 1.00 33.14 H new ATOM 0 HG LEU A 78 -0.338 8.420 3.662 1.00 2.21 H new ATOM 0 HD11 LEU A 78 -2.718 9.028 3.435 1.00 41.33 H new ATOM 0 HD12 LEU A 78 -2.438 7.952 4.824 1.00 41.33 H new ATOM 0 HD13 LEU A 78 -2.701 9.693 5.085 1.00 41.33 H new ATOM 0 HD21 LEU A 78 -0.964 10.606 2.698 1.00 23.41 H new ATOM 0 HD22 LEU A 78 -0.862 11.342 4.315 1.00 23.41 H new ATOM 0 HD23 LEU A 78 0.599 10.680 3.545 1.00 23.41 H new ATOM 1214 N GLY A 79 1.778 7.994 7.723 1.00 71.24 N ATOM 1215 CA GLY A 79 2.212 7.767 9.101 1.00 64.14 C ATOM 1216 C GLY A 79 1.488 6.597 9.764 1.00 1.34 C ATOM 1217 O GLY A 79 1.013 5.697 9.074 1.00 32.52 O ATOM 0 H GLY A 79 1.317 7.196 7.286 1.00 71.24 H new ATOM 0 HA2 GLY A 79 3.285 7.578 9.113 1.00 64.14 H new ATOM 0 HA3 GLY A 79 2.041 8.672 9.685 1.00 64.14 H new ATOM 1221 N PRO A 80 1.386 6.579 11.108 1.00 4.32 N ATOM 1222 CA PRO A 80 0.708 5.492 11.842 1.00 63.43 C ATOM 1223 C PRO A 80 -0.830 5.566 11.752 1.00 51.41 C ATOM 1224 O PRO A 80 -1.405 6.646 11.595 1.00 62.30 O ATOM 1225 CB PRO A 80 1.181 5.708 13.285 1.00 25.11 C ATOM 1226 CG PRO A 80 1.437 7.176 13.381 1.00 74.33 C ATOM 1227 CD PRO A 80 1.924 7.612 12.019 1.00 61.33 C ATOM 0 HA PRO A 80 0.951 4.511 11.433 1.00 63.43 H new ATOM 0 HB2 PRO A 80 0.424 5.390 14.002 1.00 25.11 H new ATOM 0 HB3 PRO A 80 2.083 5.134 13.497 1.00 25.11 H new ATOM 0 HG2 PRO A 80 0.529 7.712 13.659 1.00 74.33 H new ATOM 0 HG3 PRO A 80 2.182 7.391 14.147 1.00 74.33 H new ATOM 0 HD2 PRO A 80 1.556 8.605 11.761 1.00 61.33 H new ATOM 0 HD3 PRO A 80 3.012 7.655 11.978 1.00 61.33 H new ATOM 1235 N LEU A 81 -1.494 4.413 11.865 1.00 41.13 N ATOM 1236 CA LEU A 81 -2.962 4.346 11.764 1.00 54.12 C ATOM 1237 C LEU A 81 -3.659 4.485 13.128 1.00 13.44 C ATOM 1238 O LEU A 81 -3.049 4.292 14.185 1.00 51.03 O ATOM 1239 CB LEU A 81 -3.397 3.043 11.060 1.00 70.52 C ATOM 1240 CG LEU A 81 -2.709 1.740 11.523 1.00 14.11 C ATOM 1241 CD1 LEU A 81 -3.093 1.362 12.953 1.00 44.53 C ATOM 1242 CD2 LEU A 81 -3.038 0.598 10.564 1.00 63.14 C ATOM 0 H LEU A 81 -1.043 3.512 12.026 1.00 41.13 H new ATOM 0 HA LEU A 81 -3.277 5.199 11.163 1.00 54.12 H new ATOM 0 HB2 LEU A 81 -4.472 2.926 11.195 1.00 70.52 H new ATOM 0 HB3 LEU A 81 -3.221 3.159 9.991 1.00 70.52 H new ATOM 0 HG LEU A 81 -1.634 1.919 11.514 1.00 14.11 H new ATOM 0 HD11 LEU A 81 -2.585 0.440 13.234 1.00 44.53 H new ATOM 0 HD12 LEU A 81 -2.797 2.161 13.633 1.00 44.53 H new ATOM 0 HD13 LEU A 81 -4.171 1.215 13.013 1.00 44.53 H new ATOM 0 HD21 LEU A 81 -2.547 -0.314 10.902 1.00 63.14 H new ATOM 0 HD22 LEU A 81 -4.117 0.442 10.540 1.00 63.14 H new ATOM 0 HD23 LEU A 81 -2.686 0.850 9.564 1.00 63.14 H new ATOM 1254 N GLU A 82 -4.948 4.825 13.089 1.00 34.32 N ATOM 1255 CA GLU A 82 -5.761 4.970 14.306 1.00 24.50 C ATOM 1256 C GLU A 82 -6.551 3.676 14.626 1.00 41.23 C ATOM 1257 O GLU A 82 -6.290 3.068 15.687 1.00 35.94 O ATOM 1258 CB GLU A 82 -6.706 6.194 14.210 1.00 40.53 C ATOM 1259 CG GLU A 82 -7.758 6.145 13.096 1.00 24.33 C ATOM 1260 CD GLU A 82 -7.171 6.205 11.693 1.00 63.42 C ATOM 1261 OE1 GLU A 82 -6.858 7.314 11.218 1.00 54.15 O ATOM 1262 OE2 GLU A 82 -7.022 5.140 11.056 1.00 32.32 O ATOM 0 H GLU A 82 -5.458 5.007 12.224 1.00 34.32 H new ATOM 0 HA GLU A 82 -5.074 5.144 15.134 1.00 24.50 H new ATOM 0 HB2 GLU A 82 -7.221 6.306 15.164 1.00 40.53 H new ATOM 0 HB3 GLU A 82 -6.098 7.087 14.069 1.00 40.53 H new ATOM 0 HG2 GLU A 82 -8.339 5.228 13.198 1.00 24.33 H new ATOM 0 HG3 GLU A 82 -8.450 6.977 13.226 1.00 24.33 H new TER 1269 GLU A 82