USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 660 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 38 THR OG1 : rot -74:sc= 1.09 USER MOD Set 1.2: A 71 MET CE :methyl 151:sc= -0.505 (180deg=-3.22!) USER MOD Single : A 7 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.1!) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -0.138 (180deg=-0.48) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0361 F(o=-0.55,f=-0.036) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.219 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0435 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0186 F(o=-1.1,f=-0.019) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.341 F(o=-1.8,f=-0.34) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -125:sc= -0.301 (180deg=-1.81!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN :FLIP amide:sc= -1.08 F(o=-4.3!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 59 N VAL A 6 12.189 -10.349 2.666 1.00 42.23 N ATOM 60 CA VAL A 6 12.693 -11.575 2.055 1.00 64.21 C ATOM 61 C VAL A 6 13.217 -11.334 0.638 1.00 41.01 C ATOM 62 O VAL A 6 13.230 -10.202 0.143 1.00 75.33 O ATOM 63 CB VAL A 6 11.586 -12.654 2.010 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.243 -13.139 3.414 1.00 60.22 C ATOM 65 CG2 VAL A 6 10.343 -12.110 1.302 1.00 11.52 C ATOM 0 HA VAL A 6 13.521 -11.921 2.674 1.00 64.21 H new ATOM 0 HB VAL A 6 11.959 -13.507 1.444 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.462 -13.897 3.356 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.131 -13.567 3.878 1.00 60.22 H new ATOM 0 HG13 VAL A 6 10.890 -12.299 4.013 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.572 -12.880 1.278 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.969 -11.239 1.841 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.601 -11.823 0.283 1.00 11.52 H new ATOM 75 N ASN A 7 13.660 -12.415 0.002 1.00 53.22 N ATOM 76 CA ASN A 7 14.111 -12.380 -1.388 1.00 71.21 C ATOM 77 C ASN A 7 12.951 -12.030 -2.317 1.00 44.52 C ATOM 78 O ASN A 7 11.791 -12.290 -1.988 1.00 33.22 O ATOM 79 CB ASN A 7 14.722 -13.741 -1.776 1.00 54.12 C ATOM 80 CG ASN A 7 16.243 -13.749 -1.731 1.00 14.33 C ATOM 81 OD1 ASN A 7 16.897 -12.740 -2.003 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.821 -14.892 -1.393 1.00 52.12 N ATOM 0 H ASN A 7 13.717 -13.338 0.433 1.00 53.22 H new ATOM 0 HA ASN A 7 14.875 -11.609 -1.491 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.341 -14.509 -1.102 1.00 54.12 H new ATOM 0 HB3 ASN A 7 14.393 -14.007 -2.781 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.838 -14.956 -1.352 1.00 52.12 H new ATOM 0 HD22 ASN A 7 16.249 -15.708 -1.174 1.00 52.12 H new ATOM 89 N ALA A 8 13.274 -11.466 -3.481 1.00 60.32 N ATOM 90 CA ALA A 8 12.265 -11.013 -4.442 1.00 3.34 C ATOM 91 C ALA A 8 11.255 -12.116 -4.764 1.00 60.24 C ATOM 92 O ALA A 8 10.053 -11.866 -4.830 1.00 14.22 O ATOM 93 CB ALA A 8 12.938 -10.522 -5.718 1.00 31.02 C ATOM 0 H ALA A 8 14.235 -11.310 -3.784 1.00 60.32 H new ATOM 0 HA ALA A 8 11.717 -10.188 -3.985 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.178 -10.188 -6.425 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.604 -9.692 -5.482 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.514 -11.334 -6.161 1.00 31.02 H new ATOM 99 N PHE A 9 11.759 -13.337 -4.951 1.00 32.01 N ATOM 100 CA PHE A 9 10.902 -14.493 -5.235 1.00 51.44 C ATOM 101 C PHE A 9 9.867 -14.673 -4.121 1.00 64.40 C ATOM 102 O PHE A 9 8.672 -14.822 -4.376 1.00 61.22 O ATOM 103 CB PHE A 9 11.755 -15.765 -5.368 1.00 13.33 C ATOM 104 CG PHE A 9 10.958 -17.013 -5.660 1.00 33.31 C ATOM 105 CD1 PHE A 9 10.623 -17.341 -6.962 1.00 74.23 C ATOM 106 CD2 PHE A 9 10.541 -17.850 -4.635 1.00 60.44 C ATOM 107 CE1 PHE A 9 9.889 -18.481 -7.239 1.00 51.30 C ATOM 108 CE2 PHE A 9 9.809 -18.989 -4.907 1.00 44.20 C ATOM 109 CZ PHE A 9 9.482 -19.306 -6.211 1.00 62.30 C ATOM 0 H PHE A 9 12.755 -13.552 -4.911 1.00 32.01 H new ATOM 0 HA PHE A 9 10.380 -14.316 -6.175 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.485 -15.618 -6.164 1.00 13.33 H new ATOM 0 HB3 PHE A 9 12.315 -15.912 -4.445 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.938 -16.700 -7.772 1.00 74.23 H new ATOM 0 HD2 PHE A 9 10.792 -17.608 -3.613 1.00 60.44 H new ATOM 0 HE1 PHE A 9 9.635 -18.725 -8.260 1.00 51.30 H new ATOM 0 HE2 PHE A 9 9.492 -19.632 -4.100 1.00 44.20 H new ATOM 0 HZ PHE A 9 8.910 -20.197 -6.425 1.00 62.30 H new ATOM 119 N LEU A 10 10.348 -14.634 -2.887 1.00 11.31 N ATOM 120 CA LEU A 10 9.508 -14.855 -1.717 1.00 65.43 C ATOM 121 C LEU A 10 8.514 -13.710 -1.550 1.00 12.34 C ATOM 122 O LEU A 10 7.355 -13.925 -1.200 1.00 22.41 O ATOM 123 CB LEU A 10 10.381 -15.011 -0.465 1.00 53.03 C ATOM 124 CG LEU A 10 11.205 -16.308 -0.382 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.288 -17.523 -0.419 1.00 60.00 C ATOM 126 CD2 LEU A 10 12.243 -16.389 -1.498 1.00 5.43 C ATOM 0 H LEU A 10 11.327 -14.449 -2.668 1.00 11.31 H new ATOM 0 HA LEU A 10 8.941 -15.775 -1.858 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.065 -14.164 -0.414 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.738 -14.954 0.413 1.00 53.03 H new ATOM 0 HG LEU A 10 11.741 -16.298 0.567 1.00 71.33 H new ATOM 0 HD11 LEU A 10 10.886 -18.432 -0.359 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.600 -17.485 0.426 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.721 -17.522 -1.350 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.805 -17.319 -1.406 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.740 -16.363 -2.465 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.926 -15.543 -1.422 1.00 5.43 H new ATOM 138 N ALA A 11 8.985 -12.493 -1.807 1.00 51.23 N ATOM 139 CA ALA A 11 8.127 -11.312 -1.811 1.00 43.20 C ATOM 140 C ALA A 11 7.016 -11.459 -2.855 1.00 60.02 C ATOM 141 O ALA A 11 5.871 -11.066 -2.617 1.00 21.33 O ATOM 142 CB ALA A 11 8.953 -10.062 -2.087 1.00 15.33 C ATOM 0 H ALA A 11 9.964 -12.298 -2.017 1.00 51.23 H new ATOM 0 HA ALA A 11 7.665 -11.215 -0.829 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.302 -9.188 -2.087 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.712 -9.949 -1.312 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.438 -10.154 -3.059 1.00 15.33 H new ATOM 148 N LYS A 12 7.374 -12.024 -4.011 1.00 75.22 N ATOM 149 CA LYS A 12 6.413 -12.315 -5.074 1.00 3.03 C ATOM 150 C LYS A 12 5.343 -13.272 -4.554 1.00 75.15 C ATOM 151 O LYS A 12 4.146 -13.030 -4.715 1.00 72.25 O ATOM 152 CB LYS A 12 7.133 -12.937 -6.287 1.00 62.31 C ATOM 153 CG LYS A 12 6.200 -13.345 -7.432 1.00 64.45 C ATOM 154 CD LYS A 12 5.740 -12.153 -8.268 1.00 25.11 C ATOM 155 CE LYS A 12 6.875 -11.587 -9.119 1.00 55.23 C ATOM 156 NZ LYS A 12 7.445 -12.608 -10.043 1.00 30.21 N ATOM 0 H LYS A 12 8.333 -12.291 -4.234 1.00 75.22 H new ATOM 0 HA LYS A 12 5.939 -11.385 -5.388 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.864 -12.223 -6.666 1.00 62.31 H new ATOM 0 HB3 LYS A 12 7.687 -13.815 -5.955 1.00 62.31 H new ATOM 0 HG2 LYS A 12 6.712 -14.060 -8.076 1.00 64.45 H new ATOM 0 HG3 LYS A 12 5.328 -13.854 -7.021 1.00 64.45 H new ATOM 0 HD2 LYS A 12 4.918 -12.458 -8.915 1.00 25.11 H new ATOM 0 HD3 LYS A 12 5.355 -11.374 -7.610 1.00 25.11 H new ATOM 0 HE2 LYS A 12 6.506 -10.740 -9.698 1.00 55.23 H new ATOM 0 HE3 LYS A 12 7.662 -11.209 -8.467 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 7.952 -12.132 -10.816 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 8.105 -13.219 -9.521 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 6.676 -13.186 -10.438 1.00 30.21 H new ATOM 170 N ILE A 13 5.795 -14.355 -3.920 1.00 44.14 N ATOM 171 CA ILE A 13 4.892 -15.355 -3.342 1.00 31.13 C ATOM 172 C ILE A 13 3.962 -14.709 -2.314 1.00 54.15 C ATOM 173 O ILE A 13 2.749 -14.927 -2.328 1.00 11.24 O ATOM 174 CB ILE A 13 5.676 -16.502 -2.645 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.674 -17.163 -3.608 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.717 -17.547 -2.070 1.00 34.00 C ATOM 177 CD1 ILE A 13 6.034 -17.876 -4.778 1.00 1.42 C ATOM 0 H ILE A 13 6.785 -14.564 -3.793 1.00 44.14 H new ATOM 0 HA ILE A 13 4.311 -15.771 -4.166 1.00 31.13 H new ATOM 0 HB ILE A 13 6.241 -16.062 -1.824 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.352 -16.400 -3.990 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.280 -17.877 -3.050 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.289 -18.339 -1.587 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.061 -17.075 -1.338 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.117 -17.972 -2.875 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.810 -18.313 -5.406 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.379 -18.665 -4.409 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.452 -17.164 -5.363 1.00 1.42 H new ATOM 189 N ALA A 14 4.545 -13.904 -1.427 1.00 10.43 N ATOM 190 CA ALA A 14 3.803 -13.259 -0.350 1.00 65.03 C ATOM 191 C ALA A 14 2.695 -12.366 -0.903 1.00 45.24 C ATOM 192 O ALA A 14 1.548 -12.435 -0.460 1.00 22.51 O ATOM 193 CB ALA A 14 4.748 -12.451 0.536 1.00 21.21 C ATOM 0 H ALA A 14 5.541 -13.683 -1.436 1.00 10.43 H new ATOM 0 HA ALA A 14 3.337 -14.038 0.253 1.00 65.03 H new ATOM 0 HB1 ALA A 14 4.180 -11.975 1.335 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.497 -13.114 0.968 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.243 -11.686 -0.062 1.00 21.21 H new ATOM 199 N ALA A 15 3.046 -11.532 -1.878 1.00 74.24 N ATOM 200 CA ALA A 15 2.088 -10.619 -2.494 1.00 32.11 C ATOM 201 C ALA A 15 0.978 -11.388 -3.212 1.00 51.43 C ATOM 202 O ALA A 15 -0.207 -11.075 -3.068 1.00 74.42 O ATOM 203 CB ALA A 15 2.800 -9.681 -3.462 1.00 53.00 C ATOM 0 H ALA A 15 3.990 -11.470 -2.259 1.00 74.24 H new ATOM 0 HA ALA A 15 1.628 -10.025 -1.704 1.00 32.11 H new ATOM 0 HB1 ALA A 15 2.074 -9.005 -3.914 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.548 -9.101 -2.922 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.287 -10.265 -4.243 1.00 53.00 H new ATOM 209 N TRP A 16 1.382 -12.397 -3.977 1.00 42.31 N ATOM 210 CA TRP A 16 0.456 -13.259 -4.709 1.00 14.44 C ATOM 211 C TRP A 16 -0.564 -13.895 -3.764 1.00 61.31 C ATOM 212 O TRP A 16 -1.771 -13.869 -4.026 1.00 4.24 O ATOM 213 CB TRP A 16 1.270 -14.324 -5.469 1.00 24.40 C ATOM 214 CG TRP A 16 0.540 -15.601 -5.777 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.454 -15.798 -6.694 1.00 52.03 C ATOM 216 CD2 TRP A 16 0.782 -16.873 -5.171 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.846 -17.115 -6.690 1.00 3.11 N ATOM 218 CE2 TRP A 16 -0.095 -17.800 -5.759 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.667 -17.315 -4.182 1.00 71.50 C ATOM 220 CZ2 TRP A 16 -0.112 -19.146 -5.387 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.648 -18.643 -3.815 1.00 2.41 C ATOM 222 CH2 TRP A 16 0.767 -19.547 -4.415 1.00 12.14 C ATOM 0 H TRP A 16 2.363 -12.642 -4.108 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.111 -12.666 -5.426 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.617 -13.890 -6.407 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.156 -14.565 -4.882 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.871 -15.030 -7.329 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.574 -17.519 -7.279 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.354 -16.626 -3.713 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.793 -19.846 -5.849 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.326 -18.992 -3.050 1.00 2.41 H new ATOM 0 HH2 TRP A 16 0.779 -20.582 -4.107 1.00 12.14 H new ATOM 233 N LEU A 17 -0.077 -14.442 -2.661 1.00 61.21 N ATOM 234 CA LEU A 17 -0.942 -15.066 -1.668 1.00 62.45 C ATOM 235 C LEU A 17 -1.859 -14.043 -1.002 1.00 2.03 C ATOM 236 O LEU A 17 -3.075 -14.230 -0.953 1.00 1.20 O ATOM 237 CB LEU A 17 -0.099 -15.797 -0.611 1.00 54.03 C ATOM 238 CG LEU A 17 0.038 -17.308 -0.839 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.062 -17.920 0.114 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.327 -17.980 -0.683 1.00 20.20 C ATOM 0 H LEU A 17 0.916 -14.467 -2.429 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.572 -15.791 -2.183 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.897 -15.354 -0.589 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.544 -15.629 0.370 1.00 54.03 H new ATOM 0 HG LEU A 17 0.399 -17.476 -1.854 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.137 -18.991 -0.072 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.034 -17.455 -0.049 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.747 -17.751 1.144 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.225 -19.053 -0.846 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.708 -17.800 0.322 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -2.022 -17.567 -1.414 1.00 20.20 H new ATOM 252 N ASN A 18 -1.275 -12.961 -0.505 1.00 65.13 N ATOM 253 CA ASN A 18 -2.033 -11.949 0.234 1.00 45.11 C ATOM 254 C ASN A 18 -3.040 -11.243 -0.679 1.00 52.24 C ATOM 255 O ASN A 18 -4.024 -10.664 -0.210 1.00 12.31 O ATOM 256 CB ASN A 18 -1.086 -10.926 0.874 1.00 44.01 C ATOM 257 CG ASN A 18 -1.799 -9.897 1.745 1.00 55.42 C ATOM 258 OD1 ASN A 18 -2.861 -10.307 2.434 1.00 21.33 O flip ATOM 259 ND2 ASN A 18 -1.389 -8.738 1.813 1.00 62.40 N flip ATOM 0 H ASN A 18 -0.280 -12.758 -0.598 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.586 -12.455 1.025 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.349 -11.454 1.479 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.539 -10.407 0.087 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -0.572 -8.454 1.273 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -1.866 -8.062 2.410 1.00 62.40 H new ATOM 266 N ALA A 19 -2.786 -11.284 -1.984 1.00 61.24 N ATOM 267 CA ALA A 19 -3.717 -10.736 -2.966 1.00 24.21 C ATOM 268 C ALA A 19 -5.003 -11.559 -2.994 1.00 11.54 C ATOM 269 O ALA A 19 -6.110 -11.012 -3.068 1.00 11.42 O ATOM 270 CB ALA A 19 -3.072 -10.698 -4.347 1.00 61.32 C ATOM 0 H ALA A 19 -1.942 -11.692 -2.386 1.00 61.24 H new ATOM 0 HA ALA A 19 -3.968 -9.715 -2.677 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -3.779 -10.287 -5.068 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.181 -10.071 -4.315 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.795 -11.709 -4.647 1.00 61.32 H new ATOM 276 N GLY A 20 -4.847 -12.880 -2.927 1.00 74.52 N ATOM 277 CA GLY A 20 -5.996 -13.770 -2.910 1.00 23.12 C ATOM 278 C GLY A 20 -6.631 -13.831 -1.539 1.00 55.43 C ATOM 279 O GLY A 20 -7.856 -13.904 -1.411 1.00 43.31 O ATOM 0 H GLY A 20 -3.943 -13.350 -2.884 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.732 -13.429 -3.638 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -5.687 -14.770 -3.214 1.00 23.12 H new ATOM 283 N TYR A 21 -5.793 -13.775 -0.514 1.00 62.21 N ATOM 284 CA TYR A 21 -6.236 -13.835 0.870 1.00 10.20 C ATOM 285 C TYR A 21 -5.808 -12.573 1.622 1.00 4.45 C ATOM 286 O TYR A 21 -4.730 -12.532 2.220 1.00 64.21 O ATOM 287 CB TYR A 21 -5.657 -15.077 1.558 1.00 61.50 C ATOM 288 CG TYR A 21 -6.070 -16.396 0.923 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.331 -16.933 1.159 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.195 -17.114 0.107 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.708 -18.139 0.604 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.569 -18.321 -0.447 1.00 2.43 C ATOM 293 CZ TYR A 21 -6.823 -18.830 -0.198 1.00 65.41 C ATOM 294 OH TYR A 21 -7.193 -20.036 -0.747 1.00 73.14 O ATOM 0 H TYR A 21 -4.782 -13.686 -0.620 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.324 -13.898 0.883 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.569 -15.008 1.550 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -5.968 -15.077 2.603 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.027 -16.397 1.787 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.210 -16.719 -0.094 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -8.692 -18.540 0.797 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -4.879 -18.865 -1.075 1.00 2.43 H new ATOM 0 HH TYR A 21 -6.455 -20.390 -1.286 1.00 73.14 H new ATOM 304 N PRO A 22 -6.629 -11.507 1.566 1.00 33.03 N ATOM 305 CA PRO A 22 -6.352 -10.258 2.285 1.00 62.52 C ATOM 306 C PRO A 22 -6.527 -10.414 3.798 1.00 1.51 C ATOM 307 O PRO A 22 -5.909 -9.692 4.582 1.00 55.41 O ATOM 308 CB PRO A 22 -7.386 -9.280 1.711 1.00 44.14 C ATOM 309 CG PRO A 22 -8.513 -10.149 1.267 1.00 13.52 C ATOM 310 CD PRO A 22 -7.875 -11.425 0.781 1.00 34.34 C ATOM 0 HA PRO A 22 -5.322 -9.925 2.154 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -7.712 -8.560 2.462 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -6.974 -8.709 0.879 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.204 -10.344 2.087 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -9.087 -9.671 0.473 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.518 -12.288 0.957 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.673 -11.391 -0.290 1.00 34.34 H new ATOM 318 N GLU A 23 -7.370 -11.365 4.195 1.00 61.20 N ATOM 319 CA GLU A 23 -7.662 -11.603 5.610 1.00 14.11 C ATOM 320 C GLU A 23 -6.918 -12.838 6.115 1.00 1.14 C ATOM 321 O GLU A 23 -6.544 -12.913 7.286 1.00 3.25 O ATOM 322 CB GLU A 23 -9.173 -11.784 5.842 1.00 54.54 C ATOM 323 CG GLU A 23 -9.768 -13.066 5.255 1.00 45.01 C ATOM 324 CD GLU A 23 -9.780 -13.091 3.733 1.00 53.32 C ATOM 325 OE1 GLU A 23 -10.759 -12.599 3.136 1.00 44.43 O ATOM 326 OE2 GLU A 23 -8.816 -13.605 3.128 1.00 54.44 O ATOM 0 H GLU A 23 -7.865 -11.986 3.555 1.00 61.20 H new ATOM 0 HA GLU A 23 -7.324 -10.728 6.166 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -9.365 -11.770 6.915 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -9.696 -10.929 5.414 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -9.199 -13.921 5.620 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -10.788 -13.183 5.620 1.00 45.01 H new ATOM 333 N GLY A 24 -6.733 -13.809 5.232 1.00 55.34 N ATOM 334 CA GLY A 24 -6.042 -15.032 5.595 1.00 5.42 C ATOM 335 C GLY A 24 -6.650 -16.242 4.921 1.00 72.15 C ATOM 336 O GLY A 24 -7.755 -16.170 4.384 1.00 1.40 O ATOM 0 H GLY A 24 -7.051 -13.772 4.264 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -4.991 -14.952 5.318 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -6.078 -15.162 6.677 1.00 5.42 H new ATOM 340 N VAL A 25 -5.936 -17.357 4.958 1.00 31.52 N ATOM 341 CA VAL A 25 -6.376 -18.579 4.295 1.00 42.05 C ATOM 342 C VAL A 25 -7.046 -19.517 5.306 1.00 51.00 C ATOM 343 O VAL A 25 -6.484 -19.778 6.370 1.00 41.02 O ATOM 344 CB VAL A 25 -5.174 -19.315 3.641 1.00 71.20 C ATOM 345 CG1 VAL A 25 -5.641 -20.339 2.613 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.171 -18.333 3.041 1.00 50.32 C ATOM 0 H VAL A 25 -5.043 -17.442 5.443 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.090 -18.302 3.520 1.00 42.05 H new ATOM 0 HB VAL A 25 -4.657 -19.859 4.431 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -4.775 -20.836 2.175 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.276 -21.079 3.099 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.206 -19.835 1.829 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.345 -18.885 2.593 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -4.663 -17.732 2.276 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -3.788 -17.680 3.825 1.00 50.32 H new ATOM 356 N PRO A 26 -8.260 -20.015 5.021 1.00 73.25 N ATOM 357 CA PRO A 26 -8.910 -21.017 5.874 1.00 54.21 C ATOM 358 C PRO A 26 -8.248 -22.390 5.718 1.00 64.34 C ATOM 359 O PRO A 26 -7.640 -22.671 4.685 1.00 2.12 O ATOM 360 CB PRO A 26 -10.357 -21.033 5.368 1.00 23.03 C ATOM 361 CG PRO A 26 -10.264 -20.603 3.944 1.00 64.34 C ATOM 362 CD PRO A 26 -9.107 -19.634 3.869 1.00 63.21 C ATOM 0 HA PRO A 26 -8.838 -20.782 6.936 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -10.796 -22.027 5.454 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -10.986 -20.356 5.946 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.098 -21.459 3.289 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.190 -20.129 3.620 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.567 -19.726 2.927 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -9.444 -18.600 3.944 1.00 63.21 H new ATOM 370 N GLY A 27 -8.369 -23.230 6.743 1.00 3.45 N ATOM 371 CA GLY A 27 -7.723 -24.541 6.758 1.00 3.53 C ATOM 372 C GLY A 27 -7.921 -25.350 5.476 1.00 40.15 C ATOM 373 O GLY A 27 -6.930 -25.757 4.843 1.00 54.14 O ATOM 0 H GLY A 27 -8.913 -23.024 7.581 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -6.655 -24.406 6.928 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.110 -25.115 7.600 1.00 3.53 H new ATOM 377 N PRO A 28 -9.186 -25.592 5.064 1.00 4.10 N ATOM 378 CA PRO A 28 -9.501 -26.382 3.858 1.00 31.40 C ATOM 379 C PRO A 28 -8.820 -25.843 2.601 1.00 1.42 C ATOM 380 O PRO A 28 -8.678 -26.557 1.606 1.00 5.10 O ATOM 381 CB PRO A 28 -11.029 -26.262 3.737 1.00 12.20 C ATOM 382 CG PRO A 28 -11.496 -25.968 5.120 1.00 51.25 C ATOM 383 CD PRO A 28 -10.416 -25.127 5.744 1.00 54.20 C ATOM 0 HA PRO A 28 -9.145 -27.408 3.947 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.310 -25.467 3.047 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.470 -27.184 3.358 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -12.448 -25.437 5.107 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -11.652 -26.887 5.684 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.589 -24.063 5.579 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -10.361 -25.278 6.822 1.00 54.20 H new ATOM 391 N ASP A 29 -8.410 -24.581 2.652 1.00 63.12 N ATOM 392 CA ASP A 29 -7.696 -23.953 1.542 1.00 75.13 C ATOM 393 C ASP A 29 -6.196 -23.984 1.817 1.00 41.35 C ATOM 394 O ASP A 29 -5.389 -24.111 0.898 1.00 20.04 O ATOM 395 CB ASP A 29 -8.171 -22.502 1.328 1.00 13.15 C ATOM 396 CG ASP A 29 -9.624 -22.411 0.876 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.512 -22.916 1.598 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.891 -21.829 -0.201 1.00 42.44 O ATOM 0 H ASP A 29 -8.560 -23.968 3.454 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.909 -24.512 0.631 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.050 -21.945 2.257 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.534 -22.023 0.584 1.00 13.15 H new ATOM 403 N ARG A 30 -5.834 -23.910 3.100 1.00 54.40 N ATOM 404 CA ARG A 30 -4.436 -23.893 3.511 1.00 24.35 C ATOM 405 C ARG A 30 -3.725 -25.194 3.153 1.00 11.25 C ATOM 406 O ARG A 30 -2.614 -25.166 2.622 1.00 45.02 O ATOM 407 CB ARG A 30 -4.312 -23.630 5.020 1.00 44.21 C ATOM 408 CG ARG A 30 -4.617 -22.196 5.421 1.00 23.22 C ATOM 409 CD ARG A 30 -4.146 -21.868 6.836 1.00 3.15 C ATOM 410 NE ARG A 30 -4.937 -22.537 7.875 1.00 71.13 N ATOM 411 CZ ARG A 30 -4.429 -23.338 8.816 1.00 23.15 C ATOM 412 NH1 ARG A 30 -3.114 -23.497 8.932 1.00 65.41 N ATOM 413 NH2 ARG A 30 -5.234 -23.943 9.675 1.00 74.54 N ATOM 0 H ARG A 30 -6.497 -23.861 3.873 1.00 54.40 H new ATOM 0 HA ARG A 30 -3.953 -23.081 2.967 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -4.989 -24.298 5.552 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.301 -23.880 5.341 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.138 -21.516 4.716 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -5.691 -22.024 5.351 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.100 -22.158 6.941 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -4.195 -20.790 6.988 1.00 3.15 H new ATOM 0 HE ARG A 30 -5.945 -22.380 7.879 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -2.483 -23.005 8.299 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -2.736 -24.111 9.654 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -6.242 -23.798 9.619 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -4.846 -24.555 10.393 1.00 74.54 H new ATOM 427 N VAL A 31 -4.357 -26.331 3.446 1.00 12.44 N ATOM 428 CA VAL A 31 -3.713 -27.627 3.201 1.00 14.30 C ATOM 429 C VAL A 31 -3.321 -27.787 1.717 1.00 1.22 C ATOM 430 O VAL A 31 -2.158 -28.069 1.412 1.00 3.34 O ATOM 431 CB VAL A 31 -4.594 -28.826 3.638 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.817 -30.136 3.537 1.00 35.31 C ATOM 433 CG2 VAL A 31 -5.123 -28.635 5.052 1.00 61.25 C ATOM 0 H VAL A 31 -5.294 -26.385 3.845 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.812 -27.634 3.815 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.446 -28.873 2.959 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.455 -30.963 3.849 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.499 -30.292 2.506 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.941 -30.090 4.184 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.737 -29.492 5.330 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.286 -28.549 5.745 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.725 -27.728 5.096 1.00 61.25 H new ATOM 443 N PRO A 32 -4.270 -27.604 0.767 1.00 64.13 N ATOM 444 CA PRO A 32 -3.962 -27.710 -0.663 1.00 15.21 C ATOM 445 C PRO A 32 -3.073 -26.560 -1.139 1.00 21.04 C ATOM 446 O PRO A 32 -2.247 -26.743 -2.037 1.00 13.40 O ATOM 447 CB PRO A 32 -5.343 -27.666 -1.336 1.00 64.15 C ATOM 448 CG PRO A 32 -6.207 -26.930 -0.371 1.00 73.12 C ATOM 449 CD PRO A 32 -5.694 -27.284 0.999 1.00 53.53 C ATOM 0 HA PRO A 32 -3.403 -28.614 -0.903 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.299 -27.156 -2.298 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.724 -28.670 -1.524 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -6.154 -25.855 -0.542 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.252 -27.220 -0.483 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.810 -26.455 1.697 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.232 -28.133 1.421 1.00 53.53 H new ATOM 457 N LEU A 33 -3.241 -25.380 -0.530 1.00 51.45 N ATOM 458 CA LEU A 33 -2.411 -24.219 -0.859 1.00 71.25 C ATOM 459 C LEU A 33 -0.942 -24.574 -0.669 1.00 22.31 C ATOM 460 O LEU A 33 -0.118 -24.354 -1.558 1.00 14.43 O ATOM 461 CB LEU A 33 -2.804 -23.004 0.015 1.00 44.31 C ATOM 462 CG LEU A 33 -2.163 -21.643 -0.350 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.736 -21.530 0.188 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.181 -21.433 -1.864 1.00 5.41 C ATOM 0 H LEU A 33 -3.942 -25.206 0.190 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.575 -23.945 -1.901 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.887 -22.891 -0.028 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.548 -23.233 1.049 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.757 -20.861 0.122 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.319 -20.562 -0.088 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.748 -21.624 1.274 1.00 72.23 H new ATOM 0 HD13 LEU A 33 -0.123 -22.324 -0.238 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.727 -20.472 -2.103 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.618 -22.231 -2.349 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.211 -21.447 -2.221 1.00 5.41 H new ATOM 476 N LEU A 34 -0.632 -25.155 0.484 1.00 52.24 N ATOM 477 CA LEU A 34 0.732 -25.565 0.788 1.00 54.12 C ATOM 478 C LEU A 34 1.142 -26.745 -0.069 1.00 50.24 C ATOM 479 O LEU A 34 2.266 -26.790 -0.555 1.00 13.00 O ATOM 480 CB LEU A 34 0.890 -25.910 2.273 1.00 2.21 C ATOM 481 CG LEU A 34 1.298 -24.732 3.170 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.659 -24.190 2.740 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.237 -23.632 3.143 1.00 74.02 C ATOM 0 H LEU A 34 -1.307 -25.352 1.223 1.00 52.24 H new ATOM 0 HA LEU A 34 1.387 -24.724 0.562 1.00 54.12 H new ATOM 0 HB2 LEU A 34 -0.053 -26.317 2.639 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.637 -26.698 2.371 1.00 2.21 H new ATOM 0 HG LEU A 34 1.377 -25.090 4.197 1.00 0.45 H new ATOM 0 HD11 LEU A 34 2.938 -23.355 3.383 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.407 -24.978 2.823 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.605 -23.849 1.706 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.549 -22.809 3.786 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.115 -23.269 2.122 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.711 -24.032 3.501 1.00 74.02 H new ATOM 495 N ALA A 35 0.234 -27.696 -0.254 1.00 22.33 N ATOM 496 CA ALA A 35 0.523 -28.872 -1.067 1.00 2.14 C ATOM 497 C ALA A 35 1.073 -28.464 -2.433 1.00 71.13 C ATOM 498 O ALA A 35 2.056 -29.024 -2.920 1.00 71.44 O ATOM 499 CB ALA A 35 -0.726 -29.737 -1.225 1.00 72.12 C ATOM 0 H ALA A 35 -0.704 -27.677 0.146 1.00 22.33 H new ATOM 0 HA ALA A 35 1.285 -29.461 -0.556 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.490 -30.609 -1.835 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -1.070 -30.063 -0.243 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.511 -29.157 -1.710 1.00 72.12 H new ATOM 505 N LEU A 36 0.419 -27.481 -3.039 1.00 60.32 N ATOM 506 CA LEU A 36 0.839 -26.924 -4.321 1.00 5.22 C ATOM 507 C LEU A 36 2.122 -26.094 -4.164 1.00 32.42 C ATOM 508 O LEU A 36 3.084 -26.259 -4.917 1.00 24.53 O ATOM 509 CB LEU A 36 -0.316 -26.074 -4.903 1.00 43.41 C ATOM 510 CG LEU A 36 -0.136 -25.508 -6.331 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.818 -24.312 -6.352 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.337 -26.603 -7.290 1.00 70.30 C ATOM 0 H LEU A 36 -0.420 -27.046 -2.655 1.00 60.32 H new ATOM 0 HA LEU A 36 1.067 -27.735 -5.013 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.220 -26.683 -4.894 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.490 -25.236 -4.228 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.109 -25.151 -6.668 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.917 -23.944 -7.373 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.422 -23.519 -5.717 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.795 -24.620 -5.980 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.458 -26.184 -8.289 1.00 70.30 H new ATOM 0 HD22 LEU A 36 1.292 -27.001 -6.946 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.401 -27.405 -7.319 1.00 70.30 H new ATOM 524 N LEU A 37 2.123 -25.213 -3.174 1.00 22.00 N ATOM 525 CA LEU A 37 3.172 -24.204 -3.018 1.00 0.21 C ATOM 526 C LEU A 37 4.532 -24.835 -2.673 1.00 50.35 C ATOM 527 O LEU A 37 5.566 -24.419 -3.199 1.00 73.01 O ATOM 528 CB LEU A 37 2.728 -23.186 -1.946 1.00 72.43 C ATOM 529 CG LEU A 37 3.568 -21.899 -1.799 1.00 43.44 C ATOM 530 CD1 LEU A 37 4.795 -22.130 -0.916 1.00 4.05 C ATOM 531 CD2 LEU A 37 3.980 -21.355 -3.169 1.00 24.13 C ATOM 0 H LEU A 37 1.400 -25.174 -2.455 1.00 22.00 H new ATOM 0 HA LEU A 37 3.313 -23.689 -3.968 1.00 0.21 H new ATOM 0 HB2 LEU A 37 1.700 -22.895 -2.163 1.00 72.43 H new ATOM 0 HB3 LEU A 37 2.719 -23.694 -0.982 1.00 72.43 H new ATOM 0 HG LEU A 37 2.942 -21.153 -1.309 1.00 43.44 H new ATOM 0 HD11 LEU A 37 5.364 -21.204 -0.834 1.00 4.05 H new ATOM 0 HD12 LEU A 37 4.475 -22.448 0.076 1.00 4.05 H new ATOM 0 HD13 LEU A 37 5.422 -22.903 -1.360 1.00 4.05 H new ATOM 0 HD21 LEU A 37 4.571 -20.448 -3.038 1.00 24.13 H new ATOM 0 HD22 LEU A 37 4.575 -22.103 -3.694 1.00 24.13 H new ATOM 0 HD23 LEU A 37 3.088 -21.126 -3.753 1.00 24.13 H new ATOM 543 N THR A 38 4.521 -25.857 -1.823 1.00 10.21 N ATOM 544 CA THR A 38 5.760 -26.449 -1.308 1.00 5.04 C ATOM 545 C THR A 38 6.522 -27.233 -2.377 1.00 62.54 C ATOM 546 O THR A 38 7.661 -27.641 -2.154 1.00 50.11 O ATOM 547 CB THR A 38 5.492 -27.387 -0.103 1.00 61.23 C ATOM 548 OG1 THR A 38 4.505 -28.373 -0.451 1.00 1.52 O ATOM 549 CG2 THR A 38 5.026 -26.606 1.120 1.00 31.33 C ATOM 0 H THR A 38 3.669 -26.296 -1.473 1.00 10.21 H new ATOM 0 HA THR A 38 6.373 -25.607 -0.986 1.00 5.04 H new ATOM 0 HB THR A 38 6.431 -27.882 0.145 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.619 -27.954 -0.478 1.00 1.52 H new ATOM 0 HG21 THR A 38 4.848 -27.295 1.945 1.00 31.33 H new ATOM 0 HG22 THR A 38 5.794 -25.887 1.407 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.103 -26.076 0.884 1.00 31.33 H new ATOM 557 N ARG A 39 5.895 -27.453 -3.533 1.00 14.25 N ATOM 558 CA ARG A 39 6.511 -28.243 -4.592 1.00 24.04 C ATOM 559 C ARG A 39 7.870 -27.687 -5.020 1.00 71.34 C ATOM 560 O ARG A 39 8.850 -28.431 -5.088 1.00 72.22 O ATOM 561 CB ARG A 39 5.571 -28.327 -5.795 1.00 54.52 C ATOM 562 CG ARG A 39 4.267 -29.060 -5.502 1.00 31.23 C ATOM 563 CD ARG A 39 4.513 -30.459 -4.938 1.00 22.04 C ATOM 564 NE ARG A 39 5.568 -31.185 -5.662 1.00 23.20 N ATOM 565 CZ ARG A 39 5.940 -32.437 -5.386 1.00 2.41 C ATOM 566 NH1 ARG A 39 5.291 -33.138 -4.461 1.00 33.22 N ATOM 567 NH2 ARG A 39 6.956 -32.985 -6.039 1.00 12.20 N ATOM 0 H ARG A 39 4.966 -27.096 -3.756 1.00 14.25 H new ATOM 0 HA ARG A 39 6.686 -29.242 -4.192 1.00 24.04 H new ATOM 0 HB2 ARG A 39 5.342 -27.318 -6.137 1.00 54.52 H new ATOM 0 HB3 ARG A 39 6.086 -28.832 -6.613 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.677 -28.481 -4.792 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.680 -29.136 -6.417 1.00 31.23 H new ATOM 0 HD2 ARG A 39 4.789 -30.379 -3.886 1.00 22.04 H new ATOM 0 HD3 ARG A 39 3.587 -31.032 -4.982 1.00 22.04 H new ATOM 0 HE ARG A 39 6.045 -30.701 -6.423 1.00 23.20 H new ATOM 0 HH11 ARG A 39 4.507 -32.719 -3.961 1.00 33.22 H new ATOM 0 HH12 ARG A 39 5.577 -34.094 -4.252 1.00 33.22 H new ATOM 0 HH21 ARG A 39 7.452 -32.450 -6.751 1.00 12.20 H new ATOM 0 HH22 ARG A 39 7.241 -33.942 -5.829 1.00 12.20 H new ATOM 581 N ARG A 40 7.932 -26.392 -5.326 1.00 53.35 N ATOM 582 CA ARG A 40 9.166 -25.797 -5.838 1.00 42.31 C ATOM 583 C ARG A 40 9.884 -24.956 -4.777 1.00 74.53 C ATOM 584 O ARG A 40 11.049 -24.597 -4.951 1.00 12.24 O ATOM 585 CB ARG A 40 8.849 -24.963 -7.085 1.00 64.35 C ATOM 586 CG ARG A 40 8.093 -25.758 -8.152 1.00 51.10 C ATOM 587 CD ARG A 40 7.799 -24.933 -9.396 1.00 53.50 C ATOM 588 NE ARG A 40 8.996 -24.692 -10.202 1.00 44.33 N ATOM 589 CZ ARG A 40 8.989 -24.185 -11.436 1.00 71.12 C ATOM 590 NH1 ARG A 40 7.845 -23.875 -12.035 1.00 73.41 N ATOM 591 NH2 ARG A 40 10.129 -24.000 -12.080 1.00 72.30 N ATOM 0 H ARG A 40 7.153 -25.741 -5.230 1.00 53.35 H new ATOM 0 HA ARG A 40 9.849 -26.602 -6.107 1.00 42.31 H new ATOM 0 HB2 ARG A 40 8.255 -24.096 -6.796 1.00 64.35 H new ATOM 0 HB3 ARG A 40 9.779 -24.585 -7.510 1.00 64.35 H new ATOM 0 HG2 ARG A 40 8.679 -26.634 -8.431 1.00 51.10 H new ATOM 0 HG3 ARG A 40 7.156 -26.123 -7.732 1.00 51.10 H new ATOM 0 HD2 ARG A 40 7.054 -25.448 -10.002 1.00 53.50 H new ATOM 0 HD3 ARG A 40 7.365 -23.978 -9.101 1.00 53.50 H new ATOM 0 HE ARG A 40 9.899 -24.928 -9.792 1.00 44.33 H new ATOM 0 HH11 ARG A 40 6.959 -24.024 -11.551 1.00 73.41 H new ATOM 0 HH12 ARG A 40 7.852 -23.488 -12.979 1.00 73.41 H new ATOM 0 HH21 ARG A 40 11.013 -24.245 -11.633 1.00 72.30 H new ATOM 0 HH22 ARG A 40 10.125 -23.612 -13.023 1.00 72.30 H new ATOM 605 N LEU A 41 9.197 -24.655 -3.673 1.00 34.24 N ATOM 606 CA LEU A 41 9.788 -23.863 -2.588 1.00 61.12 C ATOM 607 C LEU A 41 10.319 -24.767 -1.474 1.00 73.41 C ATOM 608 O LEU A 41 9.697 -25.769 -1.121 1.00 54.35 O ATOM 609 CB LEU A 41 8.770 -22.861 -2.010 1.00 3.20 C ATOM 610 CG LEU A 41 8.429 -21.664 -2.915 1.00 25.42 C ATOM 611 CD1 LEU A 41 7.509 -22.079 -4.055 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.810 -20.530 -2.098 1.00 65.23 C ATOM 0 H LEU A 41 8.234 -24.946 -3.505 1.00 34.24 H new ATOM 0 HA LEU A 41 10.622 -23.304 -3.012 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.848 -23.397 -1.784 1.00 3.20 H new ATOM 0 HB3 LEU A 41 9.158 -22.480 -1.065 1.00 3.20 H new ATOM 0 HG LEU A 41 9.357 -21.300 -3.356 1.00 25.42 H new ATOM 0 HD11 LEU A 41 7.286 -21.212 -4.677 1.00 35.11 H new ATOM 0 HD12 LEU A 41 8.000 -22.842 -4.659 1.00 35.11 H new ATOM 0 HD13 LEU A 41 6.582 -22.480 -3.646 1.00 35.11 H new ATOM 0 HD21 LEU A 41 7.576 -19.693 -2.756 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.896 -20.883 -1.620 1.00 65.23 H new ATOM 0 HD23 LEU A 41 8.516 -20.204 -1.334 1.00 65.23 H new ATOM 624 N THR A 42 11.473 -24.396 -0.927 1.00 74.31 N ATOM 625 CA THR A 42 12.122 -25.155 0.143 1.00 41.11 C ATOM 626 C THR A 42 11.479 -24.859 1.503 1.00 41.00 C ATOM 627 O THR A 42 10.594 -24.006 1.610 1.00 32.31 O ATOM 628 CB THR A 42 13.623 -24.801 0.217 1.00 51.30 C ATOM 629 OG1 THR A 42 13.774 -23.394 0.475 1.00 51.23 O ATOM 630 CG2 THR A 42 14.340 -25.169 -1.080 1.00 74.30 C ATOM 0 H THR A 42 11.986 -23.562 -1.211 1.00 74.31 H new ATOM 0 HA THR A 42 11.999 -26.213 -0.086 1.00 41.11 H new ATOM 0 HB THR A 42 14.072 -25.375 1.028 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.727 -23.171 0.523 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.395 -24.908 -0.999 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.243 -26.240 -1.258 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.894 -24.622 -1.910 1.00 74.30 H new ATOM 638 N ASN A 43 11.944 -25.553 2.549 1.00 61.44 N ATOM 639 CA ASN A 43 11.486 -25.290 3.916 1.00 23.11 C ATOM 640 C ASN A 43 11.862 -23.867 4.320 1.00 72.30 C ATOM 641 O ASN A 43 11.077 -23.152 4.947 1.00 71.12 O ATOM 642 CB ASN A 43 12.091 -26.288 4.921 1.00 34.35 C ATOM 643 CG ASN A 43 11.581 -27.715 4.760 1.00 3.52 C ATOM 644 OD1 ASN A 43 10.337 -27.872 4.317 1.00 54.24 O flip ATOM 645 ND2 ASN A 43 12.294 -28.674 5.055 1.00 61.42 N flip ATOM 0 H ASN A 43 12.636 -26.299 2.474 1.00 61.44 H new ATOM 0 HA ASN A 43 10.403 -25.409 3.934 1.00 23.11 H new ATOM 0 HB2 ASN A 43 13.175 -26.286 4.811 1.00 34.35 H new ATOM 0 HB3 ASN A 43 11.872 -25.947 5.933 1.00 34.35 H new ATOM 0 HD21 ASN A 43 13.244 -28.519 5.392 1.00 61.42 H new ATOM 0 HD22 ASN A 43 11.935 -29.624 4.962 1.00 61.42 H new ATOM 652 N ASP A 44 13.068 -23.464 3.938 1.00 0.21 N ATOM 653 CA ASP A 44 13.564 -22.119 4.218 1.00 22.12 C ATOM 654 C ASP A 44 12.668 -21.068 3.568 1.00 42.40 C ATOM 655 O ASP A 44 12.312 -20.068 4.192 1.00 60.34 O ATOM 656 CB ASP A 44 15.006 -21.976 3.712 1.00 1.30 C ATOM 657 CG ASP A 44 15.528 -20.546 3.792 1.00 22.22 C ATOM 658 OD1 ASP A 44 15.719 -20.034 4.916 1.00 41.24 O ATOM 659 OD2 ASP A 44 15.763 -19.934 2.729 1.00 4.40 O ATOM 0 H ASP A 44 13.726 -24.054 3.429 1.00 0.21 H new ATOM 0 HA ASP A 44 13.549 -21.961 5.296 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.656 -22.627 4.296 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.058 -22.318 2.678 1.00 1.30 H new ATOM 664 N GLU A 45 12.298 -21.314 2.315 1.00 2.43 N ATOM 665 CA GLU A 45 11.459 -20.388 1.558 1.00 12.41 C ATOM 666 C GLU A 45 10.040 -20.300 2.138 1.00 74.32 C ATOM 667 O GLU A 45 9.543 -19.199 2.420 1.00 52.21 O ATOM 668 CB GLU A 45 11.434 -20.807 0.082 1.00 10.44 C ATOM 669 CG GLU A 45 12.765 -20.567 -0.623 1.00 2.34 C ATOM 670 CD GLU A 45 12.791 -21.108 -2.042 1.00 2.35 C ATOM 671 OE1 GLU A 45 13.049 -22.321 -2.202 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.562 -20.332 -2.990 1.00 64.14 O ATOM 0 H GLU A 45 12.567 -22.152 1.799 1.00 2.43 H new ATOM 0 HA GLU A 45 11.889 -19.390 1.636 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.177 -21.864 0.013 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.649 -20.254 -0.435 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.971 -19.497 -0.644 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.564 -21.034 -0.047 1.00 2.34 H new ATOM 679 N ILE A 46 9.397 -21.451 2.339 1.00 40.25 N ATOM 680 CA ILE A 46 8.044 -21.476 2.902 1.00 2.42 C ATOM 681 C ILE A 46 8.030 -20.774 4.265 1.00 23.22 C ATOM 682 O ILE A 46 7.087 -20.048 4.588 1.00 2.24 O ATOM 683 CB ILE A 46 7.478 -22.930 3.008 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.046 -22.955 3.594 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.398 -23.818 3.834 1.00 60.40 C ATOM 686 CD1 ILE A 46 5.975 -22.981 5.114 1.00 5.20 C ATOM 0 H ILE A 46 9.785 -22.369 2.124 1.00 40.25 H new ATOM 0 HA ILE A 46 7.387 -20.935 2.221 1.00 2.42 H new ATOM 0 HB ILE A 46 7.429 -23.323 1.992 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.507 -22.078 3.235 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.526 -23.830 3.206 1.00 14.42 H new ATOM 0 HG21 ILE A 46 7.979 -24.823 3.891 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.381 -23.860 3.364 1.00 60.40 H new ATOM 0 HG23 ILE A 46 8.494 -23.408 4.839 1.00 60.40 H new ATOM 0 HD11 ILE A 46 4.932 -22.997 5.429 1.00 5.20 H new ATOM 0 HD12 ILE A 46 6.481 -23.872 5.487 1.00 5.20 H new ATOM 0 HD13 ILE A 46 6.462 -22.092 5.516 1.00 5.20 H new ATOM 698 N LYS A 47 9.085 -20.979 5.055 1.00 61.14 N ATOM 699 CA LYS A 47 9.231 -20.263 6.322 1.00 33.02 C ATOM 700 C LYS A 47 9.436 -18.772 6.079 1.00 44.41 C ATOM 701 O LYS A 47 8.837 -17.943 6.763 1.00 14.11 O ATOM 702 CB LYS A 47 10.393 -20.816 7.155 1.00 63.24 C ATOM 703 CG LYS A 47 10.069 -22.111 7.890 1.00 43.11 C ATOM 704 CD LYS A 47 11.054 -22.359 9.031 1.00 45.04 C ATOM 705 CE LYS A 47 10.697 -23.602 9.837 1.00 73.15 C ATOM 706 NZ LYS A 47 11.546 -23.744 11.051 1.00 75.33 N ATOM 0 H LYS A 47 9.843 -21.628 4.843 1.00 61.14 H new ATOM 0 HA LYS A 47 8.309 -20.412 6.883 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.247 -20.986 6.500 1.00 63.24 H new ATOM 0 HB3 LYS A 47 10.695 -20.063 7.883 1.00 63.24 H new ATOM 0 HG2 LYS A 47 9.054 -22.064 8.286 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.100 -22.947 7.191 1.00 43.11 H new ATOM 0 HD2 LYS A 47 12.059 -22.468 8.624 1.00 45.04 H new ATOM 0 HD3 LYS A 47 11.069 -21.492 9.691 1.00 45.04 H new ATOM 0 HE2 LYS A 47 9.649 -23.554 10.132 1.00 73.15 H new ATOM 0 HE3 LYS A 47 10.811 -24.486 9.209 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 11.270 -24.602 11.570 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 12.545 -23.816 10.770 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 11.418 -22.913 11.663 1.00 75.33 H new ATOM 720 N ALA A 48 10.275 -18.440 5.099 1.00 32.32 N ATOM 721 CA ALA A 48 10.564 -17.045 4.767 1.00 3.50 C ATOM 722 C ALA A 48 9.266 -16.285 4.516 1.00 23.32 C ATOM 723 O ALA A 48 9.134 -15.120 4.897 1.00 52.32 O ATOM 724 CB ALA A 48 11.487 -16.960 3.555 1.00 43.35 C ATOM 0 H ALA A 48 10.768 -19.120 4.520 1.00 32.32 H new ATOM 0 HA ALA A 48 11.076 -16.584 5.612 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.690 -15.914 3.325 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.424 -17.471 3.775 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.007 -17.434 2.699 1.00 43.35 H new ATOM 730 N ILE A 49 8.310 -16.965 3.880 1.00 73.51 N ATOM 731 CA ILE A 49 6.976 -16.402 3.663 1.00 11.34 C ATOM 732 C ILE A 49 6.360 -15.945 4.986 1.00 32.52 C ATOM 733 O ILE A 49 5.837 -14.837 5.088 1.00 25.45 O ATOM 734 CB ILE A 49 6.026 -17.422 2.976 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.580 -17.814 1.600 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.610 -16.850 2.844 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.803 -16.635 0.675 1.00 74.30 C ATOM 0 H ILE A 49 8.435 -17.906 3.506 1.00 73.51 H new ATOM 0 HA ILE A 49 7.095 -15.543 3.002 1.00 11.34 H new ATOM 0 HB ILE A 49 5.970 -18.314 3.600 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.524 -18.342 1.735 1.00 71.25 H new ATOM 0 HG13 ILE A 49 5.890 -18.511 1.125 1.00 71.25 H new ATOM 0 HG21 ILE A 49 3.965 -17.583 2.360 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.217 -16.619 3.834 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.639 -15.941 2.244 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.195 -16.989 -0.278 1.00 74.30 H new ATOM 0 HD12 ILE A 49 5.857 -16.119 0.509 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.517 -15.947 1.128 1.00 74.30 H new ATOM 749 N ALA A 50 6.457 -16.798 6.001 1.00 21.02 N ATOM 750 CA ALA A 50 5.883 -16.498 7.306 1.00 1.35 C ATOM 751 C ALA A 50 6.641 -15.352 7.960 1.00 3.30 C ATOM 752 O ALA A 50 6.043 -14.402 8.459 1.00 40.12 O ATOM 753 CB ALA A 50 5.909 -17.732 8.201 1.00 61.30 C ATOM 0 H ALA A 50 6.927 -17.701 5.944 1.00 21.02 H new ATOM 0 HA ALA A 50 4.844 -16.198 7.168 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.476 -17.487 9.171 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.331 -18.531 7.737 1.00 61.30 H new ATOM 0 HB3 ALA A 50 6.939 -18.062 8.336 1.00 61.30 H new ATOM 759 N GLU A 51 7.962 -15.444 7.898 1.00 14.35 N ATOM 760 CA GLU A 51 8.854 -14.470 8.519 1.00 45.45 C ATOM 761 C GLU A 51 8.556 -13.060 8.006 1.00 61.23 C ATOM 762 O GLU A 51 8.609 -12.090 8.761 1.00 40.34 O ATOM 763 CB GLU A 51 10.308 -14.844 8.201 1.00 4.25 C ATOM 764 CG GLU A 51 10.688 -16.261 8.626 1.00 61.30 C ATOM 765 CD GLU A 51 10.846 -16.413 10.127 1.00 30.31 C ATOM 766 OE1 GLU A 51 11.577 -15.606 10.740 1.00 71.15 O ATOM 767 OE2 GLU A 51 10.252 -17.348 10.708 1.00 71.41 O ATOM 0 H GLU A 51 8.449 -16.199 7.414 1.00 14.35 H new ATOM 0 HA GLU A 51 8.696 -14.482 9.597 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.474 -14.740 7.129 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.972 -14.136 8.697 1.00 4.25 H new ATOM 0 HG2 GLU A 51 9.925 -16.955 8.275 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.622 -16.541 8.139 1.00 61.30 H new ATOM 774 N ASP A 52 8.232 -12.966 6.721 1.00 54.12 N ATOM 775 CA ASP A 52 7.940 -11.683 6.082 1.00 62.53 C ATOM 776 C ASP A 52 6.554 -11.172 6.488 1.00 5.34 C ATOM 777 O ASP A 52 6.383 -9.993 6.814 1.00 13.14 O ATOM 778 CB ASP A 52 8.020 -11.828 4.554 1.00 51.25 C ATOM 779 CG ASP A 52 7.795 -10.512 3.816 1.00 13.15 C ATOM 780 OD1 ASP A 52 8.761 -9.727 3.672 1.00 55.20 O ATOM 781 OD2 ASP A 52 6.654 -10.252 3.377 1.00 61.55 O ATOM 0 H ASP A 52 8.164 -13.769 6.095 1.00 54.12 H new ATOM 0 HA ASP A 52 8.683 -10.958 6.414 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.998 -12.227 4.283 1.00 51.25 H new ATOM 0 HB3 ASP A 52 7.277 -12.554 4.224 1.00 51.25 H new ATOM 786 N LEU A 53 5.571 -12.070 6.487 1.00 34.00 N ATOM 787 CA LEU A 53 4.179 -11.696 6.741 1.00 31.15 C ATOM 788 C LEU A 53 3.923 -11.352 8.213 1.00 63.44 C ATOM 789 O LEU A 53 3.017 -10.569 8.518 1.00 24.44 O ATOM 790 CB LEU A 53 3.230 -12.818 6.290 1.00 23.10 C ATOM 791 CG LEU A 53 3.216 -13.097 4.776 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.260 -14.238 4.440 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.847 -11.833 3.999 1.00 2.44 C ATOM 0 H LEU A 53 5.712 -13.065 6.313 1.00 34.00 H new ATOM 0 HA LEU A 53 3.982 -10.796 6.158 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.506 -13.736 6.810 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.218 -12.565 6.606 1.00 23.10 H new ATOM 0 HG LEU A 53 4.219 -13.401 4.478 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.269 -14.415 3.365 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.576 -15.143 4.959 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.251 -13.972 4.756 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.843 -12.051 2.931 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.857 -11.494 4.304 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.578 -11.052 4.207 1.00 2.44 H new ATOM 805 N GLU A 54 4.724 -11.916 9.121 1.00 42.35 N ATOM 806 CA GLU A 54 4.542 -11.692 10.561 1.00 71.35 C ATOM 807 C GLU A 54 4.606 -10.205 10.917 1.00 51.43 C ATOM 808 O GLU A 54 4.046 -9.778 11.930 1.00 2.04 O ATOM 809 CB GLU A 54 5.587 -12.461 11.380 1.00 71.34 C ATOM 810 CG GLU A 54 5.400 -13.973 11.359 1.00 45.42 C ATOM 811 CD GLU A 54 6.367 -14.698 12.281 1.00 2.40 C ATOM 812 OE1 GLU A 54 7.589 -14.643 12.037 1.00 25.13 O ATOM 813 OE2 GLU A 54 5.905 -15.325 13.259 1.00 1.20 O ATOM 0 H GLU A 54 5.504 -12.530 8.887 1.00 42.35 H new ATOM 0 HA GLU A 54 3.549 -12.065 10.812 1.00 71.35 H new ATOM 0 HB2 GLU A 54 6.580 -12.223 10.999 1.00 71.34 H new ATOM 0 HB3 GLU A 54 5.551 -12.115 12.413 1.00 71.34 H new ATOM 0 HG2 GLU A 54 4.378 -14.212 11.651 1.00 45.42 H new ATOM 0 HG3 GLU A 54 5.534 -14.337 10.340 1.00 45.42 H new ATOM 963 N ASP A 63 -1.467 -20.586 10.710 1.00 1.43 N ATOM 964 CA ASP A 63 -0.040 -20.753 10.407 1.00 15.25 C ATOM 965 C ASP A 63 0.188 -21.597 9.149 1.00 43.10 C ATOM 966 O ASP A 63 -0.608 -22.479 8.824 1.00 22.32 O ATOM 967 CB ASP A 63 0.700 -21.382 11.593 1.00 62.22 C ATOM 968 CG ASP A 63 2.188 -21.544 11.322 1.00 62.44 C ATOM 969 OD1 ASP A 63 2.931 -20.547 11.440 1.00 71.15 O ATOM 970 OD2 ASP A 63 2.622 -22.660 10.963 1.00 31.43 O ATOM 0 HA ASP A 63 0.360 -19.756 10.220 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.559 -20.761 12.478 1.00 62.22 H new ATOM 0 HB3 ASP A 63 0.265 -22.356 11.815 1.00 62.22 H new ATOM 975 N ILE A 64 1.298 -21.315 8.474 1.00 35.01 N ATOM 976 CA ILE A 64 1.627 -21.910 7.176 1.00 74.34 C ATOM 977 C ILE A 64 2.465 -23.185 7.323 1.00 73.52 C ATOM 978 O ILE A 64 2.315 -24.130 6.546 1.00 13.12 O ATOM 979 CB ILE A 64 2.372 -20.863 6.304 1.00 55.31 C ATOM 980 CG1 ILE A 64 2.779 -21.461 4.955 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.589 -20.302 7.040 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.094 -20.423 3.901 1.00 23.31 C ATOM 0 H ILE A 64 2.004 -20.661 8.813 1.00 35.01 H new ATOM 0 HA ILE A 64 0.696 -22.198 6.688 1.00 74.34 H new ATOM 0 HB ILE A 64 1.685 -20.039 6.113 1.00 55.31 H new ATOM 0 HG12 ILE A 64 3.652 -22.097 5.098 1.00 32.33 H new ATOM 0 HG13 ILE A 64 1.974 -22.101 4.593 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.092 -19.571 6.407 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.266 -19.821 7.963 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.278 -21.113 7.276 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.374 -20.921 2.973 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.215 -19.801 3.729 1.00 23.31 H new ATOM 0 HD13 ILE A 64 3.920 -19.798 4.241 1.00 23.31 H new ATOM 994 N GLY A 65 3.316 -23.223 8.340 1.00 24.22 N ATOM 995 CA GLY A 65 4.185 -24.372 8.552 1.00 1.30 C ATOM 996 C GLY A 65 3.422 -25.591 9.032 1.00 31.50 C ATOM 997 O GLY A 65 3.810 -26.728 8.749 1.00 64.12 O ATOM 0 H GLY A 65 3.423 -22.476 9.027 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.700 -24.612 7.622 1.00 1.30 H new ATOM 0 HA3 GLY A 65 4.951 -24.115 9.283 1.00 1.30 H new ATOM 1001 N VAL A 66 2.334 -25.351 9.763 1.00 52.41 N ATOM 1002 CA VAL A 66 1.486 -26.427 10.273 1.00 10.01 C ATOM 1003 C VAL A 66 0.962 -27.297 9.130 1.00 22.33 C ATOM 1004 O VAL A 66 0.883 -28.522 9.255 1.00 54.21 O ATOM 1005 CB VAL A 66 0.286 -25.870 11.085 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.631 -27.001 11.551 1.00 35.32 C ATOM 1007 CG2 VAL A 66 0.770 -25.047 12.278 1.00 25.14 C ATOM 0 H VAL A 66 2.018 -24.415 10.016 1.00 52.41 H new ATOM 0 HA VAL A 66 2.104 -27.034 10.935 1.00 10.01 H new ATOM 0 HB VAL A 66 -0.287 -25.216 10.428 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.464 -26.584 12.118 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -1.015 -27.539 10.684 1.00 35.32 H new ATOM 0 HG13 VAL A 66 -0.069 -27.688 12.184 1.00 35.32 H new ATOM 0 HG21 VAL A 66 -0.089 -24.668 12.831 1.00 25.14 H new ATOM 0 HG22 VAL A 66 1.374 -25.675 12.932 1.00 25.14 H new ATOM 0 HG23 VAL A 66 1.371 -24.210 11.923 1.00 25.14 H new ATOM 1017 N LEU A 67 0.636 -26.662 8.007 1.00 55.10 N ATOM 1018 CA LEU A 67 0.053 -27.372 6.870 1.00 53.21 C ATOM 1019 C LEU A 67 0.977 -28.471 6.364 1.00 52.34 C ATOM 1020 O LEU A 67 0.520 -29.567 6.034 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.292 -26.406 5.729 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.534 -25.535 5.946 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.623 -26.291 6.710 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.165 -24.233 6.637 1.00 50.24 C ATOM 0 H LEU A 67 0.765 -25.661 7.859 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.868 -27.836 7.222 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.563 -25.751 5.561 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.433 -26.986 4.817 1.00 43.44 H new ATOM 0 HG LEU A 67 -1.945 -25.287 4.967 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.489 -25.643 6.846 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -2.917 -27.175 6.145 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.240 -26.594 7.685 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.062 -23.631 6.781 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.714 -24.450 7.606 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.454 -23.683 6.021 1.00 50.24 H new ATOM 1036 N ILE A 68 2.273 -28.190 6.329 1.00 31.54 N ATOM 1037 CA ILE A 68 3.253 -29.152 5.837 1.00 2.51 C ATOM 1038 C ILE A 68 3.238 -30.412 6.709 1.00 51.44 C ATOM 1039 O ILE A 68 3.425 -31.529 6.218 1.00 60.32 O ATOM 1040 CB ILE A 68 4.680 -28.551 5.812 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.681 -27.203 5.073 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.664 -29.519 5.152 1.00 72.11 C ATOM 1043 CD1 ILE A 68 6.044 -26.545 5.005 1.00 31.33 C ATOM 0 H ILE A 68 2.671 -27.303 6.636 1.00 31.54 H new ATOM 0 HA ILE A 68 2.978 -29.411 4.815 1.00 2.51 H new ATOM 0 HB ILE A 68 4.999 -28.386 6.841 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.310 -27.354 4.059 1.00 32.52 H new ATOM 0 HG13 ILE A 68 3.985 -26.526 5.569 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.660 -29.077 5.145 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.686 -30.454 5.712 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.348 -29.717 4.128 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.965 -25.599 4.469 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.410 -26.361 6.015 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.739 -27.201 4.482 1.00 31.33 H new ATOM 1055 N THR A 69 2.974 -30.219 8.000 1.00 24.31 N ATOM 1056 CA THR A 69 2.912 -31.324 8.948 1.00 33.41 C ATOM 1057 C THR A 69 1.675 -32.182 8.676 1.00 42.44 C ATOM 1058 O THR A 69 1.682 -33.393 8.895 1.00 21.42 O ATOM 1059 CB THR A 69 2.880 -30.802 10.404 1.00 21.35 C ATOM 1060 OG1 THR A 69 4.008 -29.941 10.635 1.00 24.41 O ATOM 1061 CG2 THR A 69 2.901 -31.949 11.411 1.00 64.12 C ATOM 0 H THR A 69 2.799 -29.303 8.412 1.00 24.31 H new ATOM 0 HA THR A 69 3.807 -31.933 8.820 1.00 33.41 H new ATOM 0 HB THR A 69 1.952 -30.247 10.541 1.00 21.35 H new ATOM 0 HG1 THR A 69 3.984 -29.611 11.557 1.00 24.41 H new ATOM 0 HG21 THR A 69 2.878 -31.545 12.423 1.00 64.12 H new ATOM 0 HG22 THR A 69 2.031 -32.587 11.255 1.00 64.12 H new ATOM 0 HG23 THR A 69 3.810 -32.536 11.275 1.00 64.12 H new ATOM 1069 N GLN A 70 0.621 -31.542 8.173 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.613 -32.245 7.848 1.00 71.34 C ATOM 1071 C GLN A 70 -0.440 -33.015 6.544 1.00 10.03 C ATOM 1072 O GLN A 70 -0.742 -34.201 6.468 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.791 -31.262 7.730 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.871 -30.253 8.870 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.245 -29.612 9.003 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.966 -29.502 7.895 1.00 33.32 O flip ATOM 1077 NE2 GLN A 70 -3.660 -29.224 10.096 1.00 21.40 N flip ATOM 0 H GLN A 70 0.599 -30.540 7.983 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.834 -32.945 8.654 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.708 -30.723 6.786 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.722 -31.828 7.693 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.616 -30.750 9.806 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -1.126 -29.473 8.710 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -3.078 -29.325 10.928 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -4.586 -28.802 10.170 1.00 21.40 H new ATOM 1086 N MET A 71 0.083 -32.323 5.532 1.00 14.01 N ATOM 1087 CA MET A 71 0.274 -32.896 4.197 1.00 13.13 C ATOM 1088 C MET A 71 1.135 -34.156 4.246 1.00 21.22 C ATOM 1089 O MET A 71 0.789 -35.178 3.651 1.00 40.43 O ATOM 1090 CB MET A 71 0.941 -31.863 3.283 1.00 61.13 C ATOM 1091 CG MET A 71 0.056 -30.676 2.907 1.00 14.31 C ATOM 1092 SD MET A 71 0.991 -29.138 2.784 1.00 65.25 S ATOM 1093 CE MET A 71 2.438 -29.683 1.877 1.00 3.01 C ATOM 0 H MET A 71 0.386 -31.352 5.613 1.00 14.01 H new ATOM 0 HA MET A 71 -0.707 -33.167 3.806 1.00 13.13 H new ATOM 0 HB2 MET A 71 1.838 -31.488 3.776 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.264 -32.362 2.369 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.434 -30.878 1.955 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.731 -30.562 3.652 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.834 -28.854 1.291 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.198 -30.027 2.578 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.163 -30.500 1.210 1.00 3.01 H new ATOM 1103 N THR A 72 2.260 -34.071 4.953 1.00 74.35 N ATOM 1104 CA THR A 72 3.204 -35.182 5.034 1.00 54.12 C ATOM 1105 C THR A 72 2.518 -36.434 5.585 1.00 21.40 C ATOM 1106 O THR A 72 2.867 -37.562 5.230 1.00 10.21 O ATOM 1107 CB THR A 72 4.425 -34.819 5.921 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.507 -35.731 5.673 1.00 54.05 O ATOM 1109 CG2 THR A 72 4.075 -34.844 7.406 1.00 32.34 C ATOM 0 H THR A 72 2.540 -33.243 5.478 1.00 74.35 H new ATOM 0 HA THR A 72 3.559 -35.386 4.024 1.00 54.12 H new ATOM 0 HB THR A 72 4.726 -33.805 5.658 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.272 -35.492 6.237 1.00 54.05 H new ATOM 0 HG21 THR A 72 4.957 -34.584 7.992 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.282 -34.123 7.605 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.736 -35.842 7.683 1.00 32.34 H new ATOM 1117 N ASP A 73 1.527 -36.217 6.442 1.00 14.31 N ATOM 1118 CA ASP A 73 0.820 -37.305 7.098 1.00 73.20 C ATOM 1119 C ASP A 73 -0.320 -37.799 6.214 1.00 63.12 C ATOM 1120 O ASP A 73 -0.445 -38.996 5.947 1.00 62.50 O ATOM 1121 CB ASP A 73 0.283 -36.823 8.446 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.307 -37.952 9.280 1.00 24.13 C ATOM 1123 OD1 ASP A 73 0.460 -38.630 9.995 1.00 61.41 O ATOM 1124 OD2 ASP A 73 -1.540 -38.160 9.233 1.00 73.12 O ATOM 0 H ASP A 73 1.194 -35.288 6.699 1.00 14.31 H new ATOM 0 HA ASP A 73 1.507 -38.134 7.265 1.00 73.20 H new ATOM 0 HB2 ASP A 73 1.089 -36.347 9.004 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.480 -36.063 8.278 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.134 -36.861 5.745 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.244 -37.161 4.848 1.00 13.52 C ATOM 1131 C GLU A 74 -2.476 -35.984 3.902 1.00 52.34 C ATOM 1132 O GLU A 74 -2.661 -34.848 4.344 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.526 -37.474 5.637 1.00 65.33 C ATOM 1134 CG GLU A 74 -4.715 -37.829 4.746 1.00 22.12 C ATOM 1135 CD GLU A 74 -5.961 -38.205 5.535 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -6.126 -39.400 5.856 1.00 64.11 O ATOM 1137 OE2 GLU A 74 -6.790 -37.314 5.821 1.00 51.53 O ATOM 0 H GLU A 74 -1.044 -35.871 5.975 1.00 53.04 H new ATOM 0 HA GLU A 74 -1.987 -38.046 4.265 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.332 -38.303 6.318 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.786 -36.611 6.251 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -4.943 -36.981 4.100 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -4.439 -38.660 4.096 1.00 22.12 H new ATOM 1144 N MET A 75 -2.458 -36.260 2.604 1.00 3.01 N ATOM 1145 CA MET A 75 -2.691 -35.228 1.600 1.00 44.15 C ATOM 1146 C MET A 75 -4.179 -34.895 1.540 1.00 2.42 C ATOM 1147 O MET A 75 -5.019 -35.777 1.726 1.00 23.31 O ATOM 1148 CB MET A 75 -2.186 -35.679 0.225 1.00 64.55 C ATOM 1149 CG MET A 75 -0.677 -35.873 0.163 1.00 34.12 C ATOM 1150 SD MET A 75 0.247 -34.369 0.548 1.00 53.33 S ATOM 1151 CE MET A 75 -0.199 -33.327 -0.838 1.00 73.05 C ATOM 0 H MET A 75 -2.285 -37.189 2.221 1.00 3.01 H new ATOM 0 HA MET A 75 -2.136 -34.333 1.883 1.00 44.15 H new ATOM 0 HB2 MET A 75 -2.676 -36.615 -0.043 1.00 64.55 H new ATOM 0 HB3 MET A 75 -2.480 -34.940 -0.521 1.00 64.55 H new ATOM 0 HG2 MET A 75 -0.389 -36.658 0.862 1.00 34.12 H new ATOM 0 HG3 MET A 75 -0.401 -36.216 -0.834 1.00 34.12 H new ATOM 0 HE1 MET A 75 0.705 -32.977 -1.336 1.00 73.05 H new ATOM 0 HE2 MET A 75 -0.803 -33.898 -1.543 1.00 73.05 H new ATOM 0 HE3 MET A 75 -0.771 -32.471 -0.480 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.526 -33.619 1.282 1.00 3.41 N ATOM 1162 CA PRO A 76 -5.920 -33.163 1.288 1.00 54.22 C ATOM 1163 C PRO A 76 -6.761 -33.861 0.213 1.00 61.51 C ATOM 1164 O PRO A 76 -7.389 -34.886 0.472 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.800 -31.646 1.026 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.484 -31.491 0.339 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.588 -32.527 0.957 1.00 32.14 C ATOM 0 HA PRO A 76 -6.432 -33.394 2.222 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.618 -31.284 0.403 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.832 -31.078 1.956 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.581 -31.646 -0.736 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.082 -30.488 0.482 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.811 -32.854 0.266 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -3.085 -32.148 1.846 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.774 -33.296 -0.989 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.444 -33.909 -2.126 1.00 24.23 C ATOM 1177 C ARG A 77 -6.827 -33.355 -3.399 1.00 64.03 C ATOM 1178 O ARG A 77 -6.496 -32.170 -3.453 1.00 31.21 O ATOM 1179 CB ARG A 77 -8.951 -33.606 -2.092 1.00 34.31 C ATOM 1180 CG ARG A 77 -9.836 -34.717 -2.652 1.00 65.13 C ATOM 1181 CD ARG A 77 -9.761 -35.974 -1.796 1.00 35.21 C ATOM 1182 NE ARG A 77 -10.865 -36.899 -2.067 1.00 33.43 N ATOM 1183 CZ ARG A 77 -10.844 -38.206 -1.784 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -9.761 -38.768 -1.265 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -11.912 -38.954 -2.030 1.00 24.22 N ATOM 0 H ARG A 77 -6.323 -32.406 -1.200 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.319 -34.991 -2.088 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -9.246 -33.410 -1.061 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.137 -32.692 -2.656 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -10.868 -34.371 -2.703 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -9.528 -34.950 -3.671 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -8.813 -36.480 -1.980 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -9.774 -35.695 -0.742 1.00 35.21 H new ATOM 0 HE ARG A 77 -11.707 -36.520 -2.501 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -8.933 -38.203 -1.078 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -9.756 -39.766 -1.053 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -12.748 -38.532 -2.435 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -11.897 -39.951 -1.815 1.00 24.22 H new ATOM 1199 N GLU A 78 -6.673 -34.188 -4.412 1.00 43.11 N ATOM 1200 CA GLU A 78 -6.112 -33.738 -5.681 1.00 10.22 C ATOM 1201 C GLU A 78 -7.001 -32.657 -6.292 1.00 23.31 C ATOM 1202 O GLU A 78 -6.506 -31.661 -6.840 1.00 30.35 O ATOM 1203 CB GLU A 78 -5.954 -34.922 -6.635 1.00 42.54 C ATOM 1204 CG GLU A 78 -4.966 -35.970 -6.130 1.00 21.42 C ATOM 1205 CD GLU A 78 -5.069 -37.280 -6.891 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -5.866 -38.149 -6.472 1.00 3.12 O ATOM 1207 OE2 GLU A 78 -4.364 -37.446 -7.908 1.00 24.35 O ATOM 0 H GLU A 78 -6.926 -35.176 -4.385 1.00 43.11 H new ATOM 0 HA GLU A 78 -5.125 -33.309 -5.505 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -6.926 -35.391 -6.787 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -5.622 -34.556 -7.607 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -3.952 -35.581 -6.218 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -5.146 -36.154 -5.071 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.317 -32.849 -6.162 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.292 -31.883 -6.637 1.00 62.11 C ATOM 1216 C GLU A 79 -9.087 -30.543 -5.940 1.00 42.33 C ATOM 1217 O GLU A 79 -9.196 -29.496 -6.568 1.00 30.53 O ATOM 1218 CB GLU A 79 -10.724 -32.411 -6.418 1.00 33.44 C ATOM 1219 CG GLU A 79 -11.198 -32.426 -4.959 1.00 54.04 C ATOM 1220 CD GLU A 79 -12.231 -31.342 -4.643 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -11.918 -30.148 -4.806 1.00 35.41 O ATOM 1222 OE2 GLU A 79 -13.365 -31.687 -4.237 1.00 35.35 O ATOM 0 H GLU A 79 -8.727 -33.675 -5.726 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.150 -31.735 -7.707 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -11.413 -31.799 -7.001 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -10.785 -33.425 -6.814 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -11.627 -33.403 -4.734 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -10.336 -32.298 -4.304 1.00 54.04 H new ATOM 1229 N ASP A 80 -8.760 -30.590 -4.645 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.520 -29.371 -3.863 1.00 23.21 C ATOM 1231 C ASP A 80 -7.201 -28.720 -4.261 1.00 50.24 C ATOM 1232 O ASP A 80 -7.091 -27.496 -4.281 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.536 -29.657 -2.352 1.00 4.30 C ATOM 1234 CG ASP A 80 -9.946 -29.763 -1.786 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.619 -28.718 -1.648 1.00 34.04 O ATOM 1236 OD2 ASP A 80 -10.380 -30.885 -1.454 1.00 72.24 O ATOM 0 H ASP A 80 -8.655 -31.456 -4.116 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.333 -28.679 -4.085 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.000 -30.586 -2.157 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -7.999 -28.864 -1.831 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.203 -29.537 -4.572 1.00 52.33 N ATOM 1242 CA ILE A 81 -4.900 -29.028 -5.001 1.00 75.11 C ATOM 1243 C ILE A 81 -5.047 -28.217 -6.293 1.00 23.01 C ATOM 1244 O ILE A 81 -4.604 -27.060 -6.379 1.00 54.32 O ATOM 1245 CB ILE A 81 -3.885 -30.185 -5.203 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.638 -30.904 -3.865 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.570 -29.664 -5.784 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -2.732 -32.114 -3.968 1.00 11.21 C ATOM 0 H ILE A 81 -6.267 -30.554 -4.536 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.516 -28.377 -4.216 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.306 -30.896 -5.914 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.201 -30.196 -3.160 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.597 -31.216 -3.451 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -1.876 -30.494 -5.916 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -2.760 -29.193 -6.748 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.135 -28.933 -5.102 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.610 -32.562 -2.982 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.175 -32.844 -4.646 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -1.758 -31.808 -4.351 1.00 11.21 H new ATOM 1260 N GLU A 82 -5.701 -28.807 -7.290 1.00 20.30 N ATOM 1261 CA GLU A 82 -5.939 -28.100 -8.547 1.00 13.24 C ATOM 1262 C GLU A 82 -6.927 -26.953 -8.319 1.00 5.44 C ATOM 1263 O GLU A 82 -6.799 -25.877 -8.913 1.00 1.51 O ATOM 1264 CB GLU A 82 -6.440 -29.055 -9.638 1.00 73.20 C ATOM 1265 CG GLU A 82 -7.721 -29.792 -9.284 1.00 75.31 C ATOM 1266 CD GLU A 82 -8.119 -30.800 -10.344 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -7.602 -31.936 -10.310 1.00 2.33 O ATOM 1268 OE2 GLU A 82 -8.942 -30.458 -11.219 1.00 14.40 O ATOM 0 H GLU A 82 -6.071 -29.757 -7.255 1.00 20.30 H new ATOM 0 HA GLU A 82 -4.994 -27.683 -8.895 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.602 -28.488 -10.554 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -5.660 -29.787 -9.850 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -7.591 -30.304 -8.330 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.527 -29.071 -9.151 1.00 75.31 H new ATOM 1275 N ARG A 83 -7.882 -27.193 -7.427 1.00 62.13 N ATOM 1276 CA ARG A 83 -8.878 -26.196 -7.033 1.00 64.02 C ATOM 1277 C ARG A 83 -8.198 -24.930 -6.523 1.00 23.45 C ATOM 1278 O ARG A 83 -8.534 -23.820 -6.937 1.00 51.11 O ATOM 1279 CB ARG A 83 -9.759 -26.791 -5.930 1.00 1.04 C ATOM 1280 CG ARG A 83 -10.885 -25.901 -5.423 1.00 32.11 C ATOM 1281 CD ARG A 83 -11.581 -26.558 -4.237 1.00 70.23 C ATOM 1282 NE ARG A 83 -12.793 -25.855 -3.824 1.00 52.13 N ATOM 1283 CZ ARG A 83 -13.680 -26.360 -2.964 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -13.449 -27.532 -2.379 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -14.787 -25.683 -2.682 1.00 32.14 N ATOM 0 H ARG A 83 -7.990 -28.089 -6.953 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.486 -25.932 -7.898 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -10.195 -27.719 -6.301 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -9.122 -27.054 -5.086 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -10.487 -24.930 -5.128 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -11.604 -25.721 -6.222 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -11.834 -27.586 -4.496 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -10.889 -26.602 -3.396 1.00 70.23 H new ATOM 0 HE ARG A 83 -12.971 -24.929 -4.213 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -12.593 -28.046 -2.587 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -14.128 -27.917 -1.722 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -14.958 -24.779 -3.122 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -15.466 -26.067 -2.025 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.228 -25.109 -5.633 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.553 -23.982 -5.018 1.00 41.51 C ATOM 1301 C VAL A 84 -5.612 -23.306 -6.018 1.00 42.42 C ATOM 1302 O VAL A 84 -5.638 -22.090 -6.154 1.00 71.31 O ATOM 1303 CB VAL A 84 -5.786 -24.389 -3.725 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.566 -25.253 -4.033 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.389 -23.156 -2.917 1.00 65.02 C ATOM 0 H VAL A 84 -6.895 -26.023 -5.325 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.321 -23.268 -4.722 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.465 -24.992 -3.122 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.061 -25.514 -3.103 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -4.884 -26.163 -4.541 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -3.881 -24.699 -4.675 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.855 -23.466 -2.019 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.744 -22.518 -3.521 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.284 -22.603 -2.634 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.808 -24.091 -6.746 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.865 -23.519 -7.713 1.00 63.21 C ATOM 1317 C ARG A 85 -4.588 -22.647 -8.744 1.00 31.04 C ATOM 1318 O ARG A 85 -4.134 -21.547 -9.054 1.00 74.34 O ATOM 1319 CB ARG A 85 -3.044 -24.613 -8.426 1.00 13.42 C ATOM 1320 CG ARG A 85 -3.849 -25.500 -9.366 1.00 50.13 C ATOM 1321 CD ARG A 85 -2.964 -26.479 -10.133 1.00 12.03 C ATOM 1322 NE ARG A 85 -2.144 -25.809 -11.143 1.00 64.53 N ATOM 1323 CZ ARG A 85 -1.435 -26.444 -12.080 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -1.404 -27.773 -12.117 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -0.756 -25.743 -12.975 1.00 44.23 N ATOM 0 H ARG A 85 -4.791 -25.109 -6.685 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.175 -22.891 -7.149 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.244 -24.137 -8.993 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -2.569 -25.241 -7.672 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.591 -26.056 -8.792 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -4.395 -24.876 -10.073 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -2.316 -27.006 -9.432 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -3.589 -27.230 -10.615 1.00 12.03 H new ATOM 0 HE ARG A 85 -2.112 -24.790 -11.131 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -1.924 -28.315 -11.427 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -0.860 -28.251 -12.836 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -0.776 -24.724 -12.946 1.00 44.23 H new ATOM 0 HH22 ARG A 85 -0.213 -26.222 -13.693 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.720 -23.129 -9.262 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.494 -22.365 -10.254 1.00 61.13 C ATOM 1341 C ARG A 86 -7.112 -21.119 -9.609 1.00 43.24 C ATOM 1342 O ARG A 86 -7.203 -20.060 -10.233 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.587 -23.233 -10.906 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.657 -23.729 -9.939 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.668 -24.649 -10.617 1.00 34.11 C ATOM 1346 NE ARG A 86 -10.519 -23.935 -11.574 1.00 1.42 N ATOM 1347 CZ ARG A 86 -11.250 -24.533 -12.522 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -11.199 -25.854 -12.676 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -12.035 -23.807 -13.309 1.00 54.51 N ATOM 0 H ARG A 86 -6.121 -24.034 -9.017 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.807 -22.049 -11.040 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -8.068 -22.657 -11.697 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -7.116 -24.094 -11.380 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.181 -24.260 -9.115 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.179 -22.874 -9.508 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -9.138 -25.449 -11.133 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.294 -25.119 -9.858 1.00 34.11 H new ATOM 0 HE ARG A 86 -10.556 -22.917 -11.513 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -10.601 -26.415 -12.070 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -11.758 -26.305 -13.400 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -12.080 -22.795 -13.191 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -12.593 -24.261 -14.032 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.523 -21.259 -8.351 1.00 53.04 N ATOM 1364 CA HIS A 87 -8.068 -20.146 -7.573 1.00 5.31 C ATOM 1365 C HIS A 87 -6.983 -19.085 -7.361 1.00 35.45 C ATOM 1366 O HIS A 87 -7.231 -17.883 -7.448 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.581 -20.685 -6.227 1.00 31.33 C ATOM 1368 CG HIS A 87 -9.213 -19.668 -5.327 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -10.465 -19.146 -5.545 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -8.775 -19.111 -4.172 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -10.772 -18.318 -4.566 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -9.763 -18.278 -3.713 1.00 10.01 N ATOM 0 H HIS A 87 -7.489 -22.143 -7.843 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.897 -19.682 -8.108 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.308 -21.473 -6.424 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.747 -21.146 -5.698 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -7.821 -19.290 -3.699 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -11.695 -17.764 -4.476 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -9.726 -17.722 -2.859 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.781 -19.561 -7.093 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.611 -18.717 -6.876 1.00 61.31 C ATOM 1383 C LEU A 88 -4.097 -18.131 -8.196 1.00 10.22 C ATOM 1384 O LEU A 88 -3.487 -17.049 -8.218 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.523 -19.524 -6.160 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.641 -19.591 -4.620 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -3.203 -18.271 -3.984 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -5.065 -19.925 -4.179 1.00 1.22 C ATOM 0 H LEU A 88 -5.583 -20.559 -7.018 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.894 -17.875 -6.244 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.534 -20.541 -6.551 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.553 -19.096 -6.413 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.980 -20.389 -4.282 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -3.294 -18.341 -2.900 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -2.165 -18.066 -4.248 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.837 -17.463 -4.350 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -5.109 -19.964 -3.091 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.748 -19.158 -4.543 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.355 -20.893 -4.588 1.00 1.22 H new ATOM 1400 N ALA A 89 -4.332 -18.858 -9.288 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.912 -18.430 -10.625 1.00 61.34 C ATOM 1402 C ALA A 89 -4.585 -17.114 -11.015 1.00 73.12 C ATOM 1403 O ALA A 89 -4.070 -16.368 -11.852 1.00 14.30 O ATOM 1404 CB ALA A 89 -4.220 -19.515 -11.652 1.00 24.15 C ATOM 0 H ALA A 89 -4.816 -19.756 -9.273 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.835 -18.265 -10.606 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.902 -19.182 -12.640 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -3.686 -20.428 -11.388 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -5.292 -19.712 -11.663 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.739 -16.838 -10.404 1.00 4.52 N ATOM 1411 CA LEU A 90 -6.434 -15.569 -10.604 1.00 63.34 C ATOM 1412 C LEU A 90 -5.517 -14.407 -10.236 1.00 72.14 C ATOM 1413 O LEU A 90 -5.470 -13.390 -10.931 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.709 -15.511 -9.752 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.803 -16.526 -10.126 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -10.001 -16.400 -9.184 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -9.235 -16.346 -11.582 1.00 12.44 C ATOM 0 H LEU A 90 -6.211 -17.479 -9.766 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.711 -15.491 -11.655 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.435 -15.667 -8.709 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -8.129 -14.508 -9.825 1.00 43.21 H new ATOM 0 HG LEU A 90 -8.389 -17.529 -10.018 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.763 -17.126 -9.466 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.680 -16.589 -8.160 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -10.415 -15.394 -9.254 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -10.009 -17.074 -11.825 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -9.627 -15.339 -11.723 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -8.377 -16.497 -12.237 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.791 -14.574 -9.137 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.821 -13.579 -8.695 1.00 44.25 C ATOM 1431 C GLN A 91 -2.553 -13.703 -9.524 1.00 0.14 C ATOM 1432 O GLN A 91 -1.920 -12.703 -9.865 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.499 -13.743 -7.199 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.678 -13.437 -6.275 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.820 -14.436 -6.394 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -5.495 -15.693 -6.641 1.00 23.24 O flip ATOM 1437 NE2 GLN A 91 -6.987 -14.081 -6.236 1.00 3.21 N flip ATOM 0 H GLN A 91 -4.856 -15.393 -8.533 1.00 52.33 H new ATOM 0 HA GLN A 91 -4.252 -12.588 -8.836 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -3.165 -14.765 -7.019 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.668 -13.086 -6.942 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.326 -13.421 -5.244 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -5.055 -12.439 -6.499 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -7.201 -13.102 -6.047 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -7.741 -14.766 -6.294 1.00 3.21 H new ATOM 1446 N GLY A 92 -2.190 -14.938 -9.853 1.00 11.13 N ATOM 1447 CA GLY A 92 -1.036 -15.173 -10.702 1.00 34.23 C ATOM 1448 C GLY A 92 -0.382 -16.509 -10.436 1.00 75.14 C ATOM 1449 O GLY A 92 -0.851 -17.283 -9.598 1.00 41.34 O ATOM 0 H GLY A 92 -2.675 -15.782 -9.547 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -1.342 -15.124 -11.747 1.00 34.23 H new ATOM 0 HA3 GLY A 92 -0.307 -14.378 -10.546 1.00 34.23 H new ATOM 1453 N TRP A 93 0.704 -16.776 -11.153 1.00 61.24 N ATOM 1454 CA TRP A 93 1.464 -18.007 -10.987 1.00 33.44 C ATOM 1455 C TRP A 93 2.948 -17.674 -10.815 1.00 44.25 C ATOM 1456 O TRP A 93 3.702 -17.654 -11.784 1.00 71.23 O ATOM 1457 CB TRP A 93 1.247 -18.924 -12.201 1.00 43.23 C ATOM 1458 CG TRP A 93 1.675 -20.344 -11.976 1.00 30.43 C ATOM 1459 CD1 TRP A 93 2.741 -20.991 -12.533 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.030 -21.294 -11.123 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.788 -22.287 -12.086 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.750 -22.497 -11.217 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.091 -21.240 -10.291 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.388 -23.638 -10.510 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.451 -22.372 -9.587 1.00 15.35 C ATOM 1466 CH2 TRP A 93 0.287 -23.556 -9.700 1.00 55.20 C ATOM 0 H TRP A 93 1.080 -16.147 -11.863 1.00 61.24 H new ATOM 0 HA TRP A 93 1.119 -18.532 -10.096 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.190 -18.912 -12.469 1.00 43.23 H new ATOM 0 HB3 TRP A 93 1.796 -18.520 -13.052 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.443 -20.548 -13.223 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.484 -22.982 -12.357 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.665 -20.330 -10.200 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 1.954 -24.554 -10.596 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.315 -22.343 -8.940 1.00 15.35 H new ATOM 0 HH2 TRP A 93 -0.019 -24.424 -9.136 1.00 55.20 H new ATOM 1477 N PRO A 94 3.376 -17.384 -9.570 1.00 44.24 N ATOM 1478 CA PRO A 94 4.741 -16.903 -9.281 1.00 44.31 C ATOM 1479 C PRO A 94 5.807 -17.989 -9.430 1.00 13.14 C ATOM 1480 O PRO A 94 6.982 -17.691 -9.638 1.00 65.31 O ATOM 1481 CB PRO A 94 4.638 -16.442 -7.823 1.00 70.01 C ATOM 1482 CG PRO A 94 3.564 -17.294 -7.241 1.00 24.04 C ATOM 1483 CD PRO A 94 2.562 -17.499 -8.343 1.00 52.13 C ATOM 0 HA PRO A 94 5.053 -16.125 -9.977 1.00 44.31 H new ATOM 0 HB2 PRO A 94 5.582 -16.577 -7.296 1.00 70.01 H new ATOM 0 HB3 PRO A 94 4.385 -15.384 -7.758 1.00 70.01 H new ATOM 0 HG2 PRO A 94 3.965 -18.247 -6.895 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.104 -16.810 -6.379 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.079 -18.473 -8.271 1.00 52.13 H new ATOM 0 HD3 PRO A 94 1.772 -16.749 -8.313 1.00 52.13 H new ATOM 1491 N LEU A 95 5.386 -19.247 -9.336 1.00 20.13 N ATOM 1492 CA LEU A 95 6.305 -20.383 -9.429 1.00 2.45 C ATOM 1493 C LEU A 95 6.882 -20.528 -10.842 1.00 23.05 C ATOM 1494 O LEU A 95 7.692 -21.413 -11.091 1.00 42.11 O ATOM 1495 CB LEU A 95 5.605 -21.683 -8.980 1.00 12.24 C ATOM 1496 CG LEU A 95 5.726 -22.025 -7.480 1.00 45.14 C ATOM 1497 CD1 LEU A 95 5.244 -20.874 -6.602 1.00 71.12 C ATOM 1498 CD2 LEU A 95 4.963 -23.310 -7.155 1.00 44.11 C ATOM 0 H LEU A 95 4.410 -19.509 -9.195 1.00 20.13 H new ATOM 0 HA LEU A 95 7.141 -20.192 -8.756 1.00 2.45 H new ATOM 0 HB2 LEU A 95 4.547 -21.610 -9.233 1.00 12.24 H new ATOM 0 HB3 LEU A 95 6.014 -22.512 -9.557 1.00 12.24 H new ATOM 0 HG LEU A 95 6.782 -22.186 -7.262 1.00 45.14 H new ATOM 0 HD11 LEU A 95 5.344 -21.151 -5.552 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.845 -19.987 -6.802 1.00 71.12 H new ATOM 0 HD13 LEU A 95 4.198 -20.661 -6.823 1.00 71.12 H new ATOM 0 HD21 LEU A 95 5.061 -23.533 -6.093 1.00 44.11 H new ATOM 0 HD22 LEU A 95 3.909 -23.180 -7.402 1.00 44.11 H new ATOM 0 HD23 LEU A 95 5.374 -24.134 -7.738 1.00 44.11 H new