USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 983 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 54 ASN : amide:sc= 0.344 K(o=-6.4,f=-8.8) USER MOD Set 1.2: A 85 MET CE :methyl -167:sc= -4.65! (180deg=-3.45) USER MOD Set 1.3: A 112 MET CE :methyl -129:sc= -2.11 (180deg=-3.27!) USER MOD Set 2.1: A 26 CYS SG : rot 180:sc= -2.91 USER MOD Set 2.2: A 64 THR OG1 : rot 132:sc= 0.0985 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.024 F(o=-0.93,f=-0.024) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 25:sc= 1.02 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.425 K(o=0.42,f=-5.6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.649 F(o=-2!,f=-0.65) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.514 K(o=-0.51,f=-5.4!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.768 F(o=-1.7!,f=-0.77) USER MOD Single : A 74 THR OG1 : rot 129:sc= 1.2 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 95 SER OG : rot 70:sc= -0.237 USER MOD Single : A 100 SER OG : rot 76:sc= 0.241 USER MOD Single : A 104 LYS NZ :NH3+ -110:sc= -0.471 (180deg=-1.43!) USER MOD Single : A 109 HIS : no HE2:sc= 0.0511 K(o=0.051,f=-4.4!) USER MOD Single : A 113 THR OG1 : rot 7:sc= 0.692 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN :FLIP amide:sc=-0.00395 F(o=-1.7,f=-0.0039) USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -16.010 -5.962 5.394 1.00 41.12 N ATOM 51 CA ILE A 4 -14.828 -5.228 4.912 1.00 32.53 C ATOM 52 C ILE A 4 -14.905 -3.745 5.311 1.00 34.51 C ATOM 53 O ILE A 4 -15.523 -3.400 6.323 1.00 10.44 O ATOM 54 CB ILE A 4 -14.605 -5.384 3.373 1.00 45.42 C ATOM 55 CG1 ILE A 4 -15.666 -4.648 2.540 1.00 2.43 C ATOM 56 CG2 ILE A 4 -14.588 -6.861 2.999 1.00 40.00 C ATOM 57 CD1 ILE A 4 -15.425 -4.717 1.048 1.00 2.35 C ATOM 0 HA ILE A 4 -13.961 -5.675 5.398 1.00 32.53 H new ATOM 0 HB ILE A 4 -13.643 -4.927 3.142 1.00 45.42 H new ATOM 0 HG12 ILE A 4 -16.646 -5.071 2.761 1.00 2.43 H new ATOM 0 HG13 ILE A 4 -15.694 -3.602 2.846 1.00 2.43 H new ATOM 0 HG21 ILE A 4 -14.432 -6.963 1.925 1.00 40.00 H new ATOM 0 HG22 ILE A 4 -13.780 -7.362 3.532 1.00 40.00 H new ATOM 0 HG23 ILE A 4 -15.540 -7.316 3.272 1.00 40.00 H new ATOM 0 HD11 ILE A 4 -16.214 -4.175 0.527 1.00 2.35 H new ATOM 0 HD12 ILE A 4 -14.460 -4.267 0.814 1.00 2.35 H new ATOM 0 HD13 ILE A 4 -15.427 -5.759 0.727 1.00 2.35 H new ATOM 69 N ASP A 5 -14.251 -2.872 4.561 1.00 13.14 N ATOM 70 CA ASP A 5 -14.368 -1.439 4.807 1.00 55.52 C ATOM 71 C ASP A 5 -15.275 -0.811 3.752 1.00 21.12 C ATOM 72 O ASP A 5 -16.496 -0.790 3.917 1.00 24.35 O ATOM 73 CB ASP A 5 -12.990 -0.759 4.828 1.00 62.32 C ATOM 74 CG ASP A 5 -13.071 0.717 5.188 1.00 12.23 C ATOM 75 OD1 ASP A 5 -13.040 1.042 6.393 1.00 74.41 O ATOM 76 OD2 ASP A 5 -13.168 1.558 4.267 1.00 24.35 O ATOM 0 H ASP A 5 -13.639 -3.124 3.785 1.00 13.14 H new ATOM 0 HA ASP A 5 -14.813 -1.290 5.791 1.00 55.52 H new ATOM 0 HB2 ASP A 5 -12.348 -1.269 5.546 1.00 62.32 H new ATOM 0 HB3 ASP A 5 -12.522 -0.865 3.850 1.00 62.32 H new ATOM 81 N ASP A 6 -14.670 -0.348 2.659 1.00 2.21 N ATOM 82 CA ASP A 6 -15.388 0.249 1.536 1.00 20.40 C ATOM 83 C ASP A 6 -14.353 0.811 0.568 1.00 42.13 C ATOM 84 O ASP A 6 -13.198 0.381 0.586 1.00 1.41 O ATOM 85 CB ASP A 6 -16.332 1.372 2.015 1.00 24.23 C ATOM 86 CG ASP A 6 -17.428 1.701 1.015 1.00 35.32 C ATOM 87 OD1 ASP A 6 -18.475 1.023 1.030 1.00 72.31 O ATOM 88 OD2 ASP A 6 -17.247 2.639 0.210 1.00 63.02 O ATOM 0 H ASP A 6 -13.659 -0.377 2.528 1.00 2.21 H new ATOM 0 HA ASP A 6 -16.003 -0.507 1.047 1.00 20.40 H new ATOM 0 HB2 ASP A 6 -16.788 1.076 2.960 1.00 24.23 H new ATOM 0 HB3 ASP A 6 -15.747 2.270 2.211 1.00 24.23 H new ATOM 93 N TYR A 7 -14.761 1.752 -0.271 1.00 4.32 N ATOM 94 CA TYR A 7 -13.843 2.452 -1.157 1.00 65.12 C ATOM 95 C TYR A 7 -14.479 3.750 -1.666 1.00 31.52 C ATOM 96 O TYR A 7 -14.786 3.892 -2.851 1.00 2.33 O ATOM 97 CB TYR A 7 -13.380 1.551 -2.323 1.00 53.24 C ATOM 98 CG TYR A 7 -14.492 0.914 -3.142 1.00 30.41 C ATOM 99 CD1 TYR A 7 -15.275 -0.109 -2.618 1.00 52.54 C ATOM 100 CD2 TYR A 7 -14.740 1.322 -4.448 1.00 64.43 C ATOM 101 CE1 TYR A 7 -16.273 -0.699 -3.368 1.00 21.40 C ATOM 102 CE2 TYR A 7 -15.739 0.738 -5.202 1.00 3.34 C ATOM 103 CZ TYR A 7 -16.501 -0.274 -4.657 1.00 62.21 C ATOM 104 OH TYR A 7 -17.497 -0.865 -5.404 1.00 41.10 O ATOM 0 H TYR A 7 -15.733 2.051 -0.357 1.00 4.32 H new ATOM 0 HA TYR A 7 -12.952 2.712 -0.586 1.00 65.12 H new ATOM 0 HB2 TYR A 7 -12.755 2.144 -2.991 1.00 53.24 H new ATOM 0 HB3 TYR A 7 -12.751 0.758 -1.918 1.00 53.24 H new ATOM 0 HD1 TYR A 7 -15.100 -0.448 -1.608 1.00 52.54 H new ATOM 0 HD2 TYR A 7 -14.141 2.110 -4.880 1.00 64.43 H new ATOM 0 HE1 TYR A 7 -16.873 -1.491 -2.945 1.00 21.40 H new ATOM 0 HE2 TYR A 7 -15.922 1.072 -6.213 1.00 3.34 H new ATOM 0 HH TYR A 7 -17.530 -0.451 -6.291 1.00 41.10 H new ATOM 114 N PRO A 8 -14.712 4.717 -0.760 1.00 51.50 N ATOM 115 CA PRO A 8 -15.322 5.997 -1.108 1.00 4.44 C ATOM 116 C PRO A 8 -14.290 7.031 -1.553 1.00 21.44 C ATOM 117 O PRO A 8 -14.625 8.184 -1.822 1.00 74.31 O ATOM 118 CB PRO A 8 -15.980 6.429 0.201 1.00 41.44 C ATOM 119 CG PRO A 8 -15.096 5.883 1.272 1.00 5.34 C ATOM 120 CD PRO A 8 -14.411 4.640 0.685 1.00 24.15 C ATOM 0 HA PRO A 8 -16.013 5.910 -1.946 1.00 4.44 H new ATOM 0 HB2 PRO A 8 -16.056 7.514 0.266 1.00 41.44 H new ATOM 0 HB3 PRO A 8 -16.992 6.033 0.284 1.00 41.44 H new ATOM 0 HG2 PRO A 8 -14.357 6.623 1.580 1.00 5.34 H new ATOM 0 HG3 PRO A 8 -15.676 5.624 2.158 1.00 5.34 H new ATOM 0 HD2 PRO A 8 -13.337 4.651 0.870 1.00 24.15 H new ATOM 0 HD3 PRO A 8 -14.801 3.723 1.126 1.00 24.15 H new ATOM 128 N GLN A 9 -13.037 6.612 -1.621 1.00 20.05 N ATOM 129 CA GLN A 9 -11.957 7.493 -2.032 1.00 1.53 C ATOM 130 C GLN A 9 -11.285 6.939 -3.279 1.00 75.01 C ATOM 131 O GLN A 9 -10.766 5.823 -3.262 1.00 30.30 O ATOM 132 CB GLN A 9 -10.936 7.637 -0.903 1.00 3.04 C ATOM 133 CG GLN A 9 -9.878 8.694 -1.170 1.00 63.41 C ATOM 134 CD GLN A 9 -8.847 8.792 -0.062 1.00 31.21 C ATOM 135 OE1 GLN A 9 -8.523 7.666 0.560 1.00 51.54 O flip ATOM 136 NE2 GLN A 9 -8.329 9.870 0.219 1.00 11.21 N flip ATOM 0 H GLN A 9 -12.742 5.662 -1.395 1.00 20.05 H new ATOM 0 HA GLN A 9 -12.368 8.477 -2.258 1.00 1.53 H new ATOM 0 HB2 GLN A 9 -11.460 7.885 0.020 1.00 3.04 H new ATOM 0 HB3 GLN A 9 -10.446 6.677 -0.743 1.00 3.04 H new ATOM 0 HG2 GLN A 9 -9.374 8.467 -2.109 1.00 63.41 H new ATOM 0 HG3 GLN A 9 -10.363 9.662 -1.295 1.00 63.41 H new ATOM 0 HE21 GLN A 9 -8.605 10.714 -0.282 1.00 11.21 H new ATOM 0 HE22 GLN A 9 -7.623 9.921 0.954 1.00 11.21 H new ATOM 145 N ALA A 10 -11.291 7.719 -4.348 1.00 53.11 N ATOM 146 CA ALA A 10 -10.742 7.283 -5.615 1.00 33.45 C ATOM 147 C ALA A 10 -10.193 8.473 -6.385 1.00 1.45 C ATOM 148 O ALA A 10 -10.736 8.871 -7.415 1.00 54.13 O ATOM 149 CB ALA A 10 -11.795 6.546 -6.436 1.00 51.34 C ATOM 0 H ALA A 10 -11.674 8.664 -4.359 1.00 53.11 H new ATOM 0 HA ALA A 10 -9.924 6.590 -5.419 1.00 33.45 H new ATOM 0 HB1 ALA A 10 -11.360 6.228 -7.384 1.00 51.34 H new ATOM 0 HB2 ALA A 10 -12.141 5.672 -5.884 1.00 51.34 H new ATOM 0 HB3 ALA A 10 -12.637 7.211 -6.628 1.00 51.34 H new ATOM 155 N LYS A 11 -9.139 9.065 -5.850 1.00 33.20 N ATOM 156 CA LYS A 11 -8.467 10.176 -6.505 1.00 32.02 C ATOM 157 C LYS A 11 -7.640 9.655 -7.670 1.00 42.44 C ATOM 158 O LYS A 11 -7.509 8.443 -7.836 1.00 44.33 O ATOM 159 CB LYS A 11 -7.551 10.897 -5.512 1.00 21.11 C ATOM 160 CG LYS A 11 -8.226 11.312 -4.212 1.00 54.03 C ATOM 161 CD LYS A 11 -9.292 12.373 -4.429 1.00 4.31 C ATOM 162 CE LYS A 11 -9.851 12.862 -3.102 1.00 3.20 C ATOM 163 NZ LYS A 11 -10.894 13.907 -3.275 1.00 23.41 N ATOM 0 H LYS A 11 -8.727 8.793 -4.957 1.00 33.20 H new ATOM 0 HA LYS A 11 -9.217 10.877 -6.872 1.00 32.02 H new ATOM 0 HB2 LYS A 11 -6.709 10.246 -5.277 1.00 21.11 H new ATOM 0 HB3 LYS A 11 -7.143 11.786 -5.994 1.00 21.11 H new ATOM 0 HG2 LYS A 11 -8.677 10.437 -3.744 1.00 54.03 H new ATOM 0 HG3 LYS A 11 -7.474 11.692 -3.520 1.00 54.03 H new ATOM 0 HD2 LYS A 11 -8.868 13.212 -4.981 1.00 4.31 H new ATOM 0 HD3 LYS A 11 -10.098 11.965 -5.039 1.00 4.31 H new ATOM 0 HE2 LYS A 11 -10.273 12.018 -2.556 1.00 3.20 H new ATOM 0 HE3 LYS A 11 -9.039 13.261 -2.494 1.00 3.20 H new ATOM 0 HZ1 LYS A 11 -11.243 14.207 -2.342 1.00 23.41 H new ATOM 0 HZ2 LYS A 11 -10.487 14.725 -3.772 1.00 23.41 H new ATOM 0 HZ3 LYS A 11 -11.683 13.521 -3.832 1.00 23.41 H new ATOM 177 N ARG A 12 -7.110 10.564 -8.482 1.00 70.44 N ATOM 178 CA ARG A 12 -6.111 10.205 -9.491 1.00 12.33 C ATOM 179 C ARG A 12 -5.542 11.431 -10.205 1.00 13.34 C ATOM 180 O ARG A 12 -4.435 11.378 -10.737 1.00 31.10 O ATOM 181 CB ARG A 12 -6.660 9.202 -10.519 1.00 23.03 C ATOM 182 CG ARG A 12 -7.738 9.744 -11.439 1.00 34.41 C ATOM 183 CD ARG A 12 -8.225 8.654 -12.379 1.00 73.40 C ATOM 184 NE ARG A 12 -9.208 9.139 -13.343 1.00 45.03 N ATOM 185 CZ ARG A 12 -9.271 8.712 -14.602 1.00 3.20 C ATOM 186 NH1 ARG A 12 -8.427 7.778 -15.033 1.00 75.43 N ATOM 187 NH2 ARG A 12 -10.192 9.196 -15.426 1.00 3.24 N ATOM 0 H ARG A 12 -7.353 11.554 -8.464 1.00 70.44 H new ATOM 0 HA ARG A 12 -5.298 9.724 -8.947 1.00 12.33 H new ATOM 0 HB2 ARG A 12 -5.832 8.842 -11.129 1.00 23.03 H new ATOM 0 HB3 ARG A 12 -7.061 8.341 -9.984 1.00 23.03 H new ATOM 0 HG2 ARG A 12 -8.572 10.124 -10.849 1.00 34.41 H new ATOM 0 HG3 ARG A 12 -7.346 10.582 -12.015 1.00 34.41 H new ATOM 0 HD2 ARG A 12 -7.373 8.235 -12.915 1.00 73.40 H new ATOM 0 HD3 ARG A 12 -8.664 7.845 -11.795 1.00 73.40 H new ATOM 0 HE ARG A 12 -9.881 9.841 -13.036 1.00 45.03 H new ATOM 0 HH11 ARG A 12 -7.730 7.388 -14.398 1.00 75.43 H new ATOM 0 HH12 ARG A 12 -8.477 7.452 -15.998 1.00 75.43 H new ATOM 0 HH21 ARG A 12 -10.854 9.897 -15.095 1.00 3.24 H new ATOM 0 HH22 ARG A 12 -10.237 8.867 -16.390 1.00 3.24 H new ATOM 201 N VAL A 13 -6.283 12.534 -10.222 1.00 0.41 N ATOM 202 CA VAL A 13 -5.804 13.739 -10.892 1.00 34.34 C ATOM 203 C VAL A 13 -4.765 14.491 -10.041 1.00 11.21 C ATOM 204 O VAL A 13 -3.636 14.685 -10.490 1.00 44.42 O ATOM 205 CB VAL A 13 -6.962 14.686 -11.300 1.00 11.35 C ATOM 206 CG1 VAL A 13 -6.431 15.890 -12.062 1.00 34.25 C ATOM 207 CG2 VAL A 13 -7.993 13.940 -12.133 1.00 60.50 C ATOM 0 H VAL A 13 -7.202 12.620 -9.788 1.00 0.41 H new ATOM 0 HA VAL A 13 -5.315 13.405 -11.807 1.00 34.34 H new ATOM 0 HB VAL A 13 -7.446 15.044 -10.391 1.00 11.35 H new ATOM 0 HG11 VAL A 13 -7.261 16.541 -12.338 1.00 34.25 H new ATOM 0 HG12 VAL A 13 -5.733 16.440 -11.432 1.00 34.25 H new ATOM 0 HG13 VAL A 13 -5.919 15.553 -12.963 1.00 34.25 H new ATOM 0 HG21 VAL A 13 -8.798 14.620 -12.410 1.00 60.50 H new ATOM 0 HG22 VAL A 13 -7.520 13.551 -13.035 1.00 60.50 H new ATOM 0 HG23 VAL A 13 -8.401 13.113 -11.552 1.00 60.50 H new ATOM 217 N PRO A 14 -5.105 14.912 -8.800 1.00 13.12 N ATOM 218 CA PRO A 14 -4.202 15.674 -7.950 1.00 63.15 C ATOM 219 C PRO A 14 -3.523 14.800 -6.897 1.00 54.12 C ATOM 220 O PRO A 14 -3.270 15.242 -5.778 1.00 53.45 O ATOM 221 CB PRO A 14 -5.163 16.662 -7.286 1.00 61.01 C ATOM 222 CG PRO A 14 -6.468 15.928 -7.174 1.00 53.23 C ATOM 223 CD PRO A 14 -6.379 14.703 -8.099 1.00 41.40 C ATOM 0 HA PRO A 14 -3.381 16.133 -8.501 1.00 63.15 H new ATOM 0 HB2 PRO A 14 -4.798 16.968 -6.306 1.00 61.01 H new ATOM 0 HB3 PRO A 14 -5.271 17.568 -7.883 1.00 61.01 H new ATOM 0 HG2 PRO A 14 -6.650 15.621 -6.144 1.00 53.23 H new ATOM 0 HG3 PRO A 14 -7.298 16.571 -7.466 1.00 53.23 H new ATOM 0 HD2 PRO A 14 -6.381 13.770 -7.535 1.00 41.40 H new ATOM 0 HD3 PRO A 14 -7.219 14.659 -8.792 1.00 41.40 H new ATOM 231 N GLY A 15 -3.217 13.567 -7.268 1.00 5.20 N ATOM 232 CA GLY A 15 -2.663 12.626 -6.316 1.00 74.32 C ATOM 233 C GLY A 15 -3.711 11.646 -5.840 1.00 14.51 C ATOM 234 O GLY A 15 -4.750 12.047 -5.316 1.00 63.45 O ATOM 0 H GLY A 15 -3.342 13.200 -8.211 1.00 5.20 H new ATOM 0 HA2 GLY A 15 -1.837 12.084 -6.776 1.00 74.32 H new ATOM 0 HA3 GLY A 15 -2.253 13.167 -5.463 1.00 74.32 H new ATOM 238 N LEU A 16 -3.449 10.366 -6.032 1.00 65.21 N ATOM 239 CA LEU A 16 -4.394 9.331 -5.659 1.00 0.52 C ATOM 240 C LEU A 16 -3.844 8.475 -4.541 1.00 14.41 C ATOM 241 O LEU A 16 -2.650 8.176 -4.483 1.00 62.31 O ATOM 242 CB LEU A 16 -4.766 8.441 -6.849 1.00 11.11 C ATOM 243 CG LEU A 16 -3.607 7.833 -7.634 1.00 21.11 C ATOM 244 CD1 LEU A 16 -4.029 6.514 -8.259 1.00 43.00 C ATOM 245 CD2 LEU A 16 -3.134 8.789 -8.717 1.00 43.02 C ATOM 0 H LEU A 16 -2.585 10.018 -6.446 1.00 65.21 H new ATOM 0 HA LEU A 16 -5.296 9.837 -5.315 1.00 0.52 H new ATOM 0 HB2 LEU A 16 -5.394 7.628 -6.484 1.00 11.11 H new ATOM 0 HB3 LEU A 16 -5.373 9.029 -7.538 1.00 11.11 H new ATOM 0 HG LEU A 16 -2.784 7.652 -6.943 1.00 21.11 H new ATOM 0 HD11 LEU A 16 -3.193 6.091 -8.816 1.00 43.00 H new ATOM 0 HD12 LEU A 16 -4.331 5.820 -7.475 1.00 43.00 H new ATOM 0 HD13 LEU A 16 -4.867 6.683 -8.935 1.00 43.00 H new ATOM 0 HD21 LEU A 16 -2.307 8.337 -9.265 1.00 43.02 H new ATOM 0 HD22 LEU A 16 -3.955 8.996 -9.404 1.00 43.02 H new ATOM 0 HD23 LEU A 16 -2.800 9.720 -8.260 1.00 43.02 H new ATOM 257 N VAL A 17 -4.725 8.080 -3.652 1.00 33.15 N ATOM 258 CA VAL A 17 -4.345 7.260 -2.533 1.00 24.30 C ATOM 259 C VAL A 17 -5.395 6.193 -2.272 1.00 13.11 C ATOM 260 O VAL A 17 -6.555 6.491 -1.983 1.00 5.51 O ATOM 261 CB VAL A 17 -4.104 8.109 -1.266 1.00 64.23 C ATOM 262 CG1 VAL A 17 -5.221 9.122 -1.059 1.00 31.13 C ATOM 263 CG2 VAL A 17 -3.944 7.217 -0.048 1.00 11.22 C ATOM 0 H VAL A 17 -5.716 8.317 -3.686 1.00 33.15 H new ATOM 0 HA VAL A 17 -3.405 6.769 -2.785 1.00 24.30 H new ATOM 0 HB VAL A 17 -3.178 8.666 -1.405 1.00 64.23 H new ATOM 0 HG11 VAL A 17 -5.022 9.704 -0.159 1.00 31.13 H new ATOM 0 HG12 VAL A 17 -5.271 9.789 -1.919 1.00 31.13 H new ATOM 0 HG13 VAL A 17 -6.171 8.599 -0.950 1.00 31.13 H new ATOM 0 HG21 VAL A 17 -3.775 7.834 0.835 1.00 11.22 H new ATOM 0 HG22 VAL A 17 -4.849 6.625 0.091 1.00 11.22 H new ATOM 0 HG23 VAL A 17 -3.093 6.551 -0.194 1.00 11.22 H new ATOM 273 N VAL A 18 -4.981 4.950 -2.409 1.00 21.44 N ATOM 274 CA VAL A 18 -5.855 3.824 -2.158 1.00 11.01 C ATOM 275 C VAL A 18 -5.391 3.106 -0.905 1.00 32.13 C ATOM 276 O VAL A 18 -4.255 2.637 -0.833 1.00 54.21 O ATOM 277 CB VAL A 18 -5.873 2.840 -3.348 1.00 42.22 C ATOM 278 CG1 VAL A 18 -6.855 1.707 -3.098 1.00 70.54 C ATOM 279 CG2 VAL A 18 -6.215 3.566 -4.642 1.00 64.21 C ATOM 0 H VAL A 18 -4.036 4.694 -2.695 1.00 21.44 H new ATOM 0 HA VAL A 18 -6.870 4.200 -2.025 1.00 11.01 H new ATOM 0 HB VAL A 18 -4.875 2.412 -3.447 1.00 42.22 H new ATOM 0 HG11 VAL A 18 -6.850 1.027 -3.950 1.00 70.54 H new ATOM 0 HG12 VAL A 18 -6.563 1.165 -2.199 1.00 70.54 H new ATOM 0 HG13 VAL A 18 -7.857 2.116 -2.966 1.00 70.54 H new ATOM 0 HG21 VAL A 18 -6.222 2.854 -5.468 1.00 64.21 H new ATOM 0 HG22 VAL A 18 -7.199 4.027 -4.552 1.00 64.21 H new ATOM 0 HG23 VAL A 18 -5.469 4.337 -4.834 1.00 64.21 H new ATOM 289 N TYR A 19 -6.247 3.050 0.096 1.00 73.44 N ATOM 290 CA TYR A 19 -5.877 2.421 1.345 1.00 44.31 C ATOM 291 C TYR A 19 -6.075 0.914 1.268 1.00 12.22 C ATOM 292 O TYR A 19 -6.793 0.418 0.400 1.00 75.41 O ATOM 293 CB TYR A 19 -6.654 3.025 2.523 1.00 53.23 C ATOM 294 CG TYR A 19 -8.160 2.973 2.392 1.00 21.10 C ATOM 295 CD1 TYR A 19 -8.876 1.866 2.830 1.00 60.34 C ATOM 296 CD2 TYR A 19 -8.867 4.041 1.853 1.00 25.21 C ATOM 297 CE1 TYR A 19 -10.253 1.823 2.734 1.00 2.44 C ATOM 298 CE2 TYR A 19 -10.245 4.004 1.750 1.00 51.32 C ATOM 299 CZ TYR A 19 -10.931 2.892 2.195 1.00 33.10 C ATOM 300 OH TYR A 19 -12.299 2.857 2.111 1.00 54.34 O ATOM 0 H TYR A 19 -7.194 3.429 0.069 1.00 73.44 H new ATOM 0 HA TYR A 19 -4.818 2.613 1.519 1.00 44.31 H new ATOM 0 HB2 TYR A 19 -6.366 2.502 3.435 1.00 53.23 H new ATOM 0 HB3 TYR A 19 -6.351 4.065 2.643 1.00 53.23 H new ATOM 0 HD1 TYR A 19 -8.347 1.025 3.253 1.00 60.34 H new ATOM 0 HD2 TYR A 19 -8.331 4.914 1.509 1.00 25.21 H new ATOM 0 HE1 TYR A 19 -10.795 0.955 3.080 1.00 2.44 H new ATOM 0 HE2 TYR A 19 -10.781 4.839 1.324 1.00 51.32 H new ATOM 0 HH TYR A 19 -12.653 2.249 2.793 1.00 54.34 H new ATOM 310 N ARG A 20 -5.401 0.203 2.162 1.00 11.20 N ATOM 311 CA ARG A 20 -5.496 -1.251 2.234 1.00 52.13 C ATOM 312 C ARG A 20 -6.937 -1.722 2.378 1.00 4.45 C ATOM 313 O ARG A 20 -7.786 -1.016 2.923 1.00 4.32 O ATOM 314 CB ARG A 20 -4.644 -1.789 3.397 1.00 22.41 C ATOM 315 CG ARG A 20 -4.619 -0.903 4.643 1.00 33.32 C ATOM 316 CD ARG A 20 -5.998 -0.711 5.266 1.00 71.24 C ATOM 317 NE ARG A 20 -6.571 -1.963 5.765 1.00 12.01 N ATOM 318 CZ ARG A 20 -7.722 -2.038 6.440 1.00 11.05 C ATOM 319 NH1 ARG A 20 -8.449 -0.951 6.657 1.00 61.41 N ATOM 320 NH2 ARG A 20 -8.156 -3.211 6.880 1.00 34.53 N ATOM 0 H ARG A 20 -4.776 0.614 2.855 1.00 11.20 H new ATOM 0 HA ARG A 20 -5.112 -1.647 1.294 1.00 52.13 H new ATOM 0 HB2 ARG A 20 -5.019 -2.774 3.677 1.00 22.41 H new ATOM 0 HB3 ARG A 20 -3.621 -1.925 3.046 1.00 22.41 H new ATOM 0 HG2 ARG A 20 -3.951 -1.344 5.382 1.00 33.32 H new ATOM 0 HG3 ARG A 20 -4.206 0.071 4.381 1.00 33.32 H new ATOM 0 HD2 ARG A 20 -5.926 0.003 6.086 1.00 71.24 H new ATOM 0 HD3 ARG A 20 -6.670 -0.278 4.525 1.00 71.24 H new ATOM 0 HE ARG A 20 -6.062 -2.829 5.587 1.00 12.01 H new ATOM 0 HH11 ARG A 20 -8.131 -0.047 6.308 1.00 61.41 H new ATOM 0 HH12 ARG A 20 -9.326 -1.019 7.173 1.00 61.41 H new ATOM 0 HH21 ARG A 20 -7.612 -4.055 6.703 1.00 34.53 H new ATOM 0 HH22 ARG A 20 -9.034 -3.269 7.395 1.00 34.53 H new ATOM 334 N TYR A 21 -7.204 -2.920 1.894 1.00 0.12 N ATOM 335 CA TYR A 21 -8.521 -3.506 2.028 1.00 63.32 C ATOM 336 C TYR A 21 -8.699 -4.062 3.423 1.00 54.01 C ATOM 337 O TYR A 21 -7.725 -4.290 4.148 1.00 33.34 O ATOM 338 CB TYR A 21 -8.745 -4.604 0.992 1.00 33.02 C ATOM 339 CG TYR A 21 -8.849 -4.070 -0.421 1.00 63.14 C ATOM 340 CD1 TYR A 21 -10.077 -3.674 -0.942 1.00 14.44 C ATOM 341 CD2 TYR A 21 -7.725 -3.951 -1.228 1.00 11.35 C ATOM 342 CE1 TYR A 21 -10.179 -3.176 -2.227 1.00 12.51 C ATOM 343 CE2 TYR A 21 -7.821 -3.451 -2.513 1.00 63.12 C ATOM 344 CZ TYR A 21 -9.049 -3.066 -3.007 1.00 62.11 C ATOM 345 OH TYR A 21 -9.146 -2.570 -4.287 1.00 22.22 O ATOM 0 H TYR A 21 -6.526 -3.505 1.405 1.00 0.12 H new ATOM 0 HA TYR A 21 -9.260 -2.724 1.855 1.00 63.32 H new ATOM 0 HB2 TYR A 21 -7.924 -5.319 1.045 1.00 33.02 H new ATOM 0 HB3 TYR A 21 -9.657 -5.147 1.238 1.00 33.02 H new ATOM 0 HD1 TYR A 21 -10.965 -3.757 -0.332 1.00 14.44 H new ATOM 0 HD2 TYR A 21 -6.761 -4.254 -0.846 1.00 11.35 H new ATOM 0 HE1 TYR A 21 -11.140 -2.875 -2.618 1.00 12.51 H new ATOM 0 HE2 TYR A 21 -6.937 -3.362 -3.128 1.00 63.12 H new ATOM 0 HH TYR A 21 -8.258 -2.557 -4.701 1.00 22.22 H new ATOM 355 N ASP A 22 -9.941 -4.274 3.798 1.00 74.31 N ATOM 356 CA ASP A 22 -10.254 -4.780 5.116 1.00 33.42 C ATOM 357 C ASP A 22 -10.727 -6.221 5.003 1.00 62.44 C ATOM 358 O ASP A 22 -10.850 -6.745 3.893 1.00 5.31 O ATOM 359 CB ASP A 22 -11.319 -3.905 5.779 1.00 31.13 C ATOM 360 CG ASP A 22 -11.397 -4.109 7.278 1.00 4.51 C ATOM 361 OD1 ASP A 22 -10.544 -3.552 8.002 1.00 12.25 O ATOM 362 OD2 ASP A 22 -12.311 -4.823 7.738 1.00 33.50 O ATOM 0 H ASP A 22 -10.754 -4.103 3.206 1.00 74.31 H new ATOM 0 HA ASP A 22 -9.361 -4.751 5.740 1.00 33.42 H new ATOM 0 HB2 ASP A 22 -11.103 -2.857 5.570 1.00 31.13 H new ATOM 0 HB3 ASP A 22 -12.290 -4.125 5.336 1.00 31.13 H new ATOM 367 N ALA A 23 -10.995 -6.832 6.150 1.00 12.12 N ATOM 368 CA ALA A 23 -11.423 -8.223 6.245 1.00 33.44 C ATOM 369 C ALA A 23 -10.300 -9.202 5.927 1.00 32.45 C ATOM 370 O ALA A 23 -9.558 -9.030 4.962 1.00 45.43 O ATOM 371 CB ALA A 23 -12.623 -8.492 5.356 1.00 33.34 C ATOM 0 H ALA A 23 -10.920 -6.368 7.055 1.00 12.12 H new ATOM 0 HA ALA A 23 -11.713 -8.385 7.283 1.00 33.44 H new ATOM 0 HB1 ALA A 23 -12.918 -9.537 5.449 1.00 33.34 H new ATOM 0 HB2 ALA A 23 -13.452 -7.853 5.660 1.00 33.34 H new ATOM 0 HB3 ALA A 23 -12.363 -8.280 4.319 1.00 33.34 H new ATOM 377 N PRO A 24 -10.159 -10.238 6.765 1.00 0.31 N ATOM 378 CA PRO A 24 -9.130 -11.269 6.599 1.00 4.35 C ATOM 379 C PRO A 24 -9.307 -12.083 5.324 1.00 13.43 C ATOM 380 O PRO A 24 -10.088 -13.035 5.286 1.00 13.42 O ATOM 381 CB PRO A 24 -9.301 -12.170 7.831 1.00 32.11 C ATOM 382 CG PRO A 24 -10.049 -11.338 8.806 1.00 74.22 C ATOM 383 CD PRO A 24 -10.978 -10.479 7.961 1.00 73.24 C ATOM 0 HA PRO A 24 -8.139 -10.823 6.516 1.00 4.35 H new ATOM 0 HB2 PRO A 24 -9.849 -13.079 7.584 1.00 32.11 H new ATOM 0 HB3 PRO A 24 -8.336 -12.479 8.233 1.00 32.11 H new ATOM 0 HG2 PRO A 24 -10.611 -11.958 9.504 1.00 74.22 H new ATOM 0 HG3 PRO A 24 -9.373 -10.722 9.399 1.00 74.22 H new ATOM 0 HD2 PRO A 24 -11.908 -10.995 7.723 1.00 73.24 H new ATOM 0 HD3 PRO A 24 -11.248 -9.551 8.465 1.00 73.24 H new ATOM 391 N LEU A 25 -8.606 -11.682 4.276 1.00 23.25 N ATOM 392 CA LEU A 25 -8.538 -12.479 3.063 1.00 52.13 C ATOM 393 C LEU A 25 -7.150 -13.095 2.941 1.00 2.14 C ATOM 394 O LEU A 25 -6.910 -13.961 2.094 1.00 73.25 O ATOM 395 CB LEU A 25 -8.944 -11.665 1.799 1.00 62.31 C ATOM 396 CG LEU A 25 -8.006 -10.544 1.271 1.00 3.13 C ATOM 397 CD1 LEU A 25 -7.599 -9.563 2.358 1.00 3.25 C ATOM 398 CD2 LEU A 25 -6.781 -11.124 0.578 1.00 34.53 C ATOM 0 H LEU A 25 -8.077 -10.811 4.241 1.00 23.25 H new ATOM 0 HA LEU A 25 -9.268 -13.286 3.132 1.00 52.13 H new ATOM 0 HB2 LEU A 25 -9.090 -12.377 0.986 1.00 62.31 H new ATOM 0 HB3 LEU A 25 -9.913 -11.210 2.002 1.00 62.31 H new ATOM 0 HG LEU A 25 -8.582 -9.983 0.535 1.00 3.13 H new ATOM 0 HD11 LEU A 25 -6.944 -8.801 1.934 1.00 3.25 H new ATOM 0 HD12 LEU A 25 -8.489 -9.088 2.771 1.00 3.25 H new ATOM 0 HD13 LEU A 25 -7.072 -10.095 3.150 1.00 3.25 H new ATOM 0 HD21 LEU A 25 -6.147 -10.313 0.221 1.00 34.53 H new ATOM 0 HD22 LEU A 25 -6.221 -11.739 1.283 1.00 34.53 H new ATOM 0 HD23 LEU A 25 -7.097 -11.736 -0.267 1.00 34.53 H new ATOM 410 N CYS A 26 -6.244 -12.632 3.811 1.00 74.40 N ATOM 411 CA CYS A 26 -4.893 -13.176 3.922 1.00 33.01 C ATOM 412 C CYS A 26 -4.064 -12.854 2.679 1.00 31.22 C ATOM 413 O CYS A 26 -3.228 -11.949 2.712 1.00 23.12 O ATOM 414 CB CYS A 26 -4.934 -14.688 4.176 1.00 24.32 C ATOM 415 SG CYS A 26 -3.325 -15.428 4.527 1.00 72.03 S ATOM 0 H CYS A 26 -6.432 -11.867 4.458 1.00 74.40 H new ATOM 0 HA CYS A 26 -4.410 -12.701 4.776 1.00 33.01 H new ATOM 0 HB2 CYS A 26 -5.602 -14.885 5.014 1.00 24.32 H new ATOM 0 HB3 CYS A 26 -5.364 -15.179 3.303 1.00 24.32 H new ATOM 0 HG CYS A 26 -3.469 -16.704 4.728 1.00 72.03 H new ATOM 421 N PHE A 27 -4.300 -13.600 1.598 1.00 42.50 N ATOM 422 CA PHE A 27 -3.656 -13.351 0.308 1.00 62.10 C ATOM 423 C PHE A 27 -4.201 -14.310 -0.751 1.00 73.15 C ATOM 424 O PHE A 27 -3.688 -14.363 -1.868 1.00 62.12 O ATOM 425 CB PHE A 27 -2.131 -13.502 0.403 1.00 32.14 C ATOM 426 CG PHE A 27 -1.644 -14.929 0.418 1.00 2.50 C ATOM 427 CD1 PHE A 27 -2.004 -15.798 1.436 1.00 63.33 C ATOM 428 CD2 PHE A 27 -0.819 -15.396 -0.593 1.00 24.14 C ATOM 429 CE1 PHE A 27 -1.550 -17.102 1.446 1.00 24.41 C ATOM 430 CE2 PHE A 27 -0.362 -16.700 -0.589 1.00 55.31 C ATOM 431 CZ PHE A 27 -0.728 -17.554 0.433 1.00 40.44 C ATOM 0 H PHE A 27 -4.942 -14.393 1.593 1.00 42.50 H new ATOM 0 HA PHE A 27 -3.881 -12.324 0.020 1.00 62.10 H new ATOM 0 HB2 PHE A 27 -1.674 -12.984 -0.440 1.00 32.14 H new ATOM 0 HB3 PHE A 27 -1.785 -13.004 1.309 1.00 32.14 H new ATOM 0 HD1 PHE A 27 -2.647 -15.451 2.231 1.00 63.33 H new ATOM 0 HD2 PHE A 27 -0.530 -14.732 -1.394 1.00 24.14 H new ATOM 0 HE1 PHE A 27 -1.838 -17.768 2.246 1.00 24.41 H new ATOM 0 HE2 PHE A 27 0.280 -17.051 -1.383 1.00 55.31 H new ATOM 0 HZ PHE A 27 -0.372 -18.574 0.440 1.00 40.44 H new ATOM 441 N ALA A 28 -5.270 -15.023 -0.394 1.00 22.42 N ATOM 442 CA ALA A 28 -5.814 -16.112 -1.215 1.00 60.25 C ATOM 443 C ALA A 28 -5.990 -15.708 -2.675 1.00 41.41 C ATOM 444 O ALA A 28 -5.474 -16.359 -3.584 1.00 0.32 O ATOM 445 CB ALA A 28 -7.144 -16.571 -0.641 1.00 31.01 C ATOM 0 H ALA A 28 -5.785 -14.864 0.472 1.00 22.42 H new ATOM 0 HA ALA A 28 -5.094 -16.930 -1.191 1.00 60.25 H new ATOM 0 HB1 ALA A 28 -7.545 -17.379 -1.253 1.00 31.01 H new ATOM 0 HB2 ALA A 28 -6.997 -16.927 0.379 1.00 31.01 H new ATOM 0 HB3 ALA A 28 -7.846 -15.737 -0.637 1.00 31.01 H new ATOM 451 N ASN A 29 -6.727 -14.633 -2.883 1.00 12.41 N ATOM 452 CA ASN A 29 -6.968 -14.104 -4.218 1.00 41.12 C ATOM 453 C ASN A 29 -6.156 -12.836 -4.428 1.00 72.23 C ATOM 454 O ASN A 29 -6.135 -12.274 -5.521 1.00 24.22 O ATOM 455 CB ASN A 29 -8.461 -13.795 -4.397 1.00 44.43 C ATOM 456 CG ASN A 29 -8.966 -12.745 -3.411 1.00 42.40 C ATOM 457 OD1 ASN A 29 -8.472 -12.635 -2.287 1.00 32.01 O ATOM 458 ND2 ASN A 29 -9.959 -11.969 -3.820 1.00 64.21 N ATOM 0 H ASN A 29 -7.175 -14.102 -2.137 1.00 12.41 H new ATOM 0 HA ASN A 29 -6.665 -14.850 -4.953 1.00 41.12 H new ATOM 0 HB2 ASN A 29 -8.636 -13.446 -5.415 1.00 44.43 H new ATOM 0 HB3 ASN A 29 -9.036 -14.713 -4.271 1.00 44.43 H new ATOM 0 HD21 ASN A 29 -10.337 -11.254 -3.198 1.00 64.21 H new ATOM 0 HD22 ASN A 29 -10.345 -12.086 -4.757 1.00 64.21 H new ATOM 465 N ALA A 30 -5.448 -12.427 -3.379 1.00 75.10 N ATOM 466 CA ALA A 30 -4.856 -11.094 -3.303 1.00 10.43 C ATOM 467 C ALA A 30 -3.748 -10.861 -4.320 1.00 44.31 C ATOM 468 O ALA A 30 -3.290 -9.736 -4.473 1.00 22.32 O ATOM 469 CB ALA A 30 -4.330 -10.831 -1.904 1.00 12.10 C ATOM 0 H ALA A 30 -5.269 -13.008 -2.560 1.00 75.10 H new ATOM 0 HA ALA A 30 -5.656 -10.394 -3.544 1.00 10.43 H new ATOM 0 HB1 ALA A 30 -3.891 -9.834 -1.862 1.00 12.10 H new ATOM 0 HB2 ALA A 30 -5.150 -10.898 -1.189 1.00 12.10 H new ATOM 0 HB3 ALA A 30 -3.570 -11.572 -1.656 1.00 12.10 H new ATOM 475 N GLU A 31 -3.311 -11.898 -5.014 1.00 64.44 N ATOM 476 CA GLU A 31 -2.277 -11.719 -6.018 1.00 73.32 C ATOM 477 C GLU A 31 -2.851 -10.973 -7.221 1.00 50.54 C ATOM 478 O GLU A 31 -2.538 -9.797 -7.447 1.00 72.34 O ATOM 479 CB GLU A 31 -1.694 -13.059 -6.455 1.00 61.14 C ATOM 480 CG GLU A 31 -0.367 -12.916 -7.178 1.00 73.43 C ATOM 481 CD GLU A 31 0.064 -14.187 -7.874 1.00 53.45 C ATOM 482 OE1 GLU A 31 0.200 -15.227 -7.198 1.00 34.04 O ATOM 483 OE2 GLU A 31 0.257 -14.152 -9.109 1.00 61.32 O ATOM 0 H GLU A 31 -3.648 -12.854 -4.905 1.00 64.44 H new ATOM 0 HA GLU A 31 -1.470 -11.132 -5.580 1.00 73.32 H new ATOM 0 HB2 GLU A 31 -1.559 -13.694 -5.579 1.00 61.14 H new ATOM 0 HB3 GLU A 31 -2.406 -13.564 -7.108 1.00 61.14 H new ATOM 0 HG2 GLU A 31 -0.444 -12.114 -7.912 1.00 73.43 H new ATOM 0 HG3 GLU A 31 0.401 -12.621 -6.463 1.00 73.43 H new ATOM 490 N ASP A 32 -3.721 -11.642 -7.971 1.00 53.33 N ATOM 491 CA ASP A 32 -4.358 -11.013 -9.122 1.00 12.34 C ATOM 492 C ASP A 32 -5.324 -9.934 -8.662 1.00 40.23 C ATOM 493 O ASP A 32 -5.434 -8.886 -9.288 1.00 2.23 O ATOM 494 CB ASP A 32 -5.103 -12.034 -9.987 1.00 53.22 C ATOM 495 CG ASP A 32 -5.725 -11.395 -11.224 1.00 62.30 C ATOM 496 OD1 ASP A 32 -5.045 -11.333 -12.272 1.00 43.45 O ATOM 497 OD2 ASP A 32 -6.892 -10.953 -11.153 1.00 62.41 O ATOM 0 H ASP A 32 -3.999 -12.609 -7.805 1.00 53.33 H new ATOM 0 HA ASP A 32 -3.570 -10.567 -9.728 1.00 12.34 H new ATOM 0 HB2 ASP A 32 -4.413 -12.820 -10.294 1.00 53.22 H new ATOM 0 HB3 ASP A 32 -5.884 -12.509 -9.394 1.00 53.22 H new ATOM 502 N PHE A 33 -6.012 -10.192 -7.552 1.00 11.10 N ATOM 503 CA PHE A 33 -6.961 -9.233 -6.997 1.00 72.55 C ATOM 504 C PHE A 33 -6.297 -7.881 -6.762 1.00 12.41 C ATOM 505 O PHE A 33 -6.818 -6.847 -7.186 1.00 13.32 O ATOM 506 CB PHE A 33 -7.567 -9.768 -5.692 1.00 72.43 C ATOM 507 CG PHE A 33 -8.203 -8.713 -4.836 1.00 62.01 C ATOM 508 CD1 PHE A 33 -9.374 -8.092 -5.235 1.00 32.21 C ATOM 509 CD2 PHE A 33 -7.612 -8.331 -3.642 1.00 11.23 C ATOM 510 CE1 PHE A 33 -9.950 -7.108 -4.455 1.00 15.35 C ATOM 511 CE2 PHE A 33 -8.180 -7.344 -2.862 1.00 4.23 C ATOM 512 CZ PHE A 33 -9.351 -6.733 -3.269 1.00 52.11 C ATOM 0 H PHE A 33 -5.929 -11.058 -7.020 1.00 11.10 H new ATOM 0 HA PHE A 33 -7.764 -9.095 -7.721 1.00 72.55 H new ATOM 0 HB2 PHE A 33 -8.314 -10.524 -5.934 1.00 72.43 H new ATOM 0 HB3 PHE A 33 -6.785 -10.265 -5.117 1.00 72.43 H new ATOM 0 HD1 PHE A 33 -9.842 -8.380 -6.165 1.00 32.21 H new ATOM 0 HD2 PHE A 33 -6.699 -8.810 -3.319 1.00 11.23 H new ATOM 0 HE1 PHE A 33 -10.867 -6.633 -4.772 1.00 15.35 H new ATOM 0 HE2 PHE A 33 -7.710 -7.050 -1.935 1.00 4.23 H new ATOM 0 HZ PHE A 33 -9.798 -5.962 -2.659 1.00 52.11 H new ATOM 522 N ARG A 34 -5.138 -7.891 -6.113 1.00 12.24 N ATOM 523 CA ARG A 34 -4.451 -6.654 -5.791 1.00 12.52 C ATOM 524 C ARG A 34 -3.982 -5.961 -7.056 1.00 53.11 C ATOM 525 O ARG A 34 -4.230 -4.773 -7.247 1.00 33.21 O ATOM 526 CB ARG A 34 -3.246 -6.907 -4.898 1.00 71.33 C ATOM 527 CG ARG A 34 -2.719 -5.654 -4.230 1.00 22.33 C ATOM 528 CD ARG A 34 -3.325 -5.483 -2.840 1.00 32.33 C ATOM 529 NE ARG A 34 -3.127 -6.684 -2.015 1.00 2.42 N ATOM 530 CZ ARG A 34 -3.357 -6.753 -0.694 1.00 73.23 C ATOM 531 NH1 ARG A 34 -3.768 -5.691 -0.016 1.00 20.34 N ATOM 532 NH2 ARG A 34 -3.166 -7.897 -0.049 1.00 3.54 N ATOM 0 H ARG A 34 -4.660 -8.737 -5.803 1.00 12.24 H new ATOM 0 HA ARG A 34 -5.161 -6.019 -5.261 1.00 12.52 H new ATOM 0 HB2 ARG A 34 -3.517 -7.632 -4.131 1.00 71.33 H new ATOM 0 HB3 ARG A 34 -2.450 -7.355 -5.493 1.00 71.33 H new ATOM 0 HG2 ARG A 34 -1.633 -5.707 -4.154 1.00 22.33 H new ATOM 0 HG3 ARG A 34 -2.954 -4.784 -4.843 1.00 22.33 H new ATOM 0 HD2 ARG A 34 -2.871 -4.623 -2.347 1.00 32.33 H new ATOM 0 HD3 ARG A 34 -4.391 -5.273 -2.930 1.00 32.33 H new ATOM 0 HE ARG A 34 -2.790 -7.527 -2.481 1.00 2.42 H new ATOM 0 HH11 ARG A 34 -3.914 -4.804 -0.498 1.00 20.34 H new ATOM 0 HH12 ARG A 34 -3.938 -5.761 0.987 1.00 20.34 H new ATOM 0 HH21 ARG A 34 -2.845 -8.721 -0.557 1.00 3.54 H new ATOM 0 HH22 ARG A 34 -3.340 -7.952 0.955 1.00 3.54 H new ATOM 546 N ARG A 35 -3.304 -6.711 -7.924 1.00 64.13 N ATOM 547 CA ARG A 35 -2.767 -6.125 -9.138 1.00 11.02 C ATOM 548 C ARG A 35 -3.901 -5.566 -9.988 1.00 22.23 C ATOM 549 O ARG A 35 -3.790 -4.470 -10.510 1.00 43.32 O ATOM 550 CB ARG A 35 -1.923 -7.128 -9.952 1.00 14.14 C ATOM 551 CG ARG A 35 -2.732 -8.138 -10.752 1.00 40.41 C ATOM 552 CD ARG A 35 -1.933 -8.697 -11.918 1.00 52.54 C ATOM 553 NE ARG A 35 -0.917 -9.659 -11.499 1.00 41.33 N ATOM 554 CZ ARG A 35 0.236 -9.848 -12.141 1.00 71.55 C ATOM 555 NH1 ARG A 35 0.561 -9.085 -13.180 1.00 33.11 N ATOM 556 NH2 ARG A 35 1.072 -10.794 -11.735 1.00 61.22 N ATOM 0 H ARG A 35 -3.119 -7.707 -7.808 1.00 64.13 H new ATOM 0 HA ARG A 35 -2.098 -5.316 -8.845 1.00 11.02 H new ATOM 0 HB2 ARG A 35 -1.283 -6.572 -10.637 1.00 14.14 H new ATOM 0 HB3 ARG A 35 -1.267 -7.668 -9.269 1.00 14.14 H new ATOM 0 HG2 ARG A 35 -3.044 -8.954 -10.100 1.00 40.41 H new ATOM 0 HG3 ARG A 35 -3.639 -7.664 -11.126 1.00 40.41 H new ATOM 0 HD2 ARG A 35 -2.613 -9.177 -12.621 1.00 52.54 H new ATOM 0 HD3 ARG A 35 -1.452 -7.876 -12.450 1.00 52.54 H new ATOM 0 HE ARG A 35 -1.100 -10.219 -10.666 1.00 41.33 H new ATOM 0 HH11 ARG A 35 -0.073 -8.349 -13.491 1.00 33.11 H new ATOM 0 HH12 ARG A 35 1.445 -9.235 -13.666 1.00 33.11 H new ATOM 0 HH21 ARG A 35 0.833 -11.376 -10.932 1.00 61.22 H new ATOM 0 HH22 ARG A 35 1.954 -10.940 -12.225 1.00 61.22 H new ATOM 570 N ARG A 36 -5.008 -6.299 -10.063 1.00 40.13 N ATOM 571 CA ARG A 36 -6.123 -5.937 -10.932 1.00 10.23 C ATOM 572 C ARG A 36 -6.804 -4.658 -10.454 1.00 32.42 C ATOM 573 O ARG A 36 -6.833 -3.658 -11.174 1.00 5.24 O ATOM 574 CB ARG A 36 -7.141 -7.078 -10.976 1.00 23.00 C ATOM 575 CG ARG A 36 -8.093 -7.021 -12.160 1.00 13.00 C ATOM 576 CD ARG A 36 -7.340 -7.147 -13.472 1.00 3.34 C ATOM 577 NE ARG A 36 -6.437 -8.298 -13.476 1.00 5.32 N ATOM 578 CZ ARG A 36 -5.338 -8.376 -14.221 1.00 75.11 C ATOM 579 NH1 ARG A 36 -5.038 -7.401 -15.077 1.00 44.10 N ATOM 580 NH2 ARG A 36 -4.544 -9.435 -14.118 1.00 63.03 N ATOM 0 H ARG A 36 -5.157 -7.154 -9.528 1.00 40.13 H new ATOM 0 HA ARG A 36 -5.728 -5.760 -11.932 1.00 10.23 H new ATOM 0 HB2 ARG A 36 -6.605 -8.027 -11.001 1.00 23.00 H new ATOM 0 HB3 ARG A 36 -7.724 -7.065 -10.055 1.00 23.00 H new ATOM 0 HG2 ARG A 36 -8.827 -7.823 -12.080 1.00 13.00 H new ATOM 0 HG3 ARG A 36 -8.645 -6.081 -12.142 1.00 13.00 H new ATOM 0 HD2 ARG A 36 -8.052 -7.242 -14.291 1.00 3.34 H new ATOM 0 HD3 ARG A 36 -6.768 -6.237 -13.651 1.00 3.34 H new ATOM 0 HE ARG A 36 -6.664 -9.088 -12.871 1.00 5.32 H new ATOM 0 HH11 ARG A 36 -5.652 -6.591 -15.163 1.00 44.10 H new ATOM 0 HH12 ARG A 36 -4.194 -7.464 -15.647 1.00 44.10 H new ATOM 0 HH21 ARG A 36 -4.777 -10.186 -13.469 1.00 63.03 H new ATOM 0 HH22 ARG A 36 -3.701 -9.497 -14.688 1.00 63.03 H new ATOM 594 N ALA A 37 -7.328 -4.696 -9.231 1.00 73.44 N ATOM 595 CA ALA A 37 -8.098 -3.584 -8.691 1.00 22.03 C ATOM 596 C ALA A 37 -7.277 -2.299 -8.664 1.00 34.13 C ATOM 597 O ALA A 37 -7.744 -1.243 -9.087 1.00 0.45 O ATOM 598 CB ALA A 37 -8.603 -3.924 -7.296 1.00 20.14 C ATOM 0 H ALA A 37 -7.232 -5.488 -8.596 1.00 73.44 H new ATOM 0 HA ALA A 37 -8.953 -3.416 -9.346 1.00 22.03 H new ATOM 0 HB1 ALA A 37 -9.177 -3.085 -6.902 1.00 20.14 H new ATOM 0 HB2 ALA A 37 -9.239 -4.808 -7.345 1.00 20.14 H new ATOM 0 HB3 ALA A 37 -7.755 -4.123 -6.640 1.00 20.14 H new ATOM 604 N LEU A 38 -6.045 -2.399 -8.198 1.00 43.44 N ATOM 605 CA LEU A 38 -5.196 -1.228 -8.054 1.00 22.21 C ATOM 606 C LEU A 38 -4.706 -0.721 -9.413 1.00 42.10 C ATOM 607 O LEU A 38 -4.691 0.485 -9.672 1.00 45.52 O ATOM 608 CB LEU A 38 -4.009 -1.529 -7.128 1.00 21.24 C ATOM 609 CG LEU A 38 -4.308 -1.482 -5.618 1.00 15.23 C ATOM 610 CD1 LEU A 38 -5.389 -2.481 -5.230 1.00 50.01 C ATOM 611 CD2 LEU A 38 -3.042 -1.749 -4.821 1.00 31.10 C ATOM 0 H LEU A 38 -5.610 -3.276 -7.913 1.00 43.44 H new ATOM 0 HA LEU A 38 -5.796 -0.438 -7.602 1.00 22.21 H new ATOM 0 HB2 LEU A 38 -3.624 -2.519 -7.372 1.00 21.24 H new ATOM 0 HB3 LEU A 38 -3.214 -0.815 -7.344 1.00 21.24 H new ATOM 0 HG LEU A 38 -4.675 -0.483 -5.385 1.00 15.23 H new ATOM 0 HD11 LEU A 38 -5.573 -2.419 -4.157 1.00 50.01 H new ATOM 0 HD12 LEU A 38 -6.308 -2.251 -5.770 1.00 50.01 H new ATOM 0 HD13 LEU A 38 -5.061 -3.489 -5.484 1.00 50.01 H new ATOM 0 HD21 LEU A 38 -3.268 -1.713 -3.755 1.00 31.10 H new ATOM 0 HD22 LEU A 38 -2.653 -2.735 -5.076 1.00 31.10 H new ATOM 0 HD23 LEU A 38 -2.295 -0.991 -5.059 1.00 31.10 H new ATOM 623 N THR A 39 -4.338 -1.629 -10.302 1.00 20.41 N ATOM 624 CA THR A 39 -3.791 -1.218 -11.586 1.00 21.23 C ATOM 625 C THR A 39 -4.856 -0.521 -12.427 1.00 42.03 C ATOM 626 O THR A 39 -4.536 0.318 -13.270 1.00 21.02 O ATOM 627 CB THR A 39 -3.179 -2.402 -12.368 1.00 22.34 C ATOM 628 OG1 THR A 39 -2.231 -1.920 -13.331 1.00 52.42 O ATOM 629 CG2 THR A 39 -4.252 -3.207 -13.080 1.00 73.35 C ATOM 0 H THR A 39 -4.406 -2.637 -10.164 1.00 20.41 H new ATOM 0 HA THR A 39 -2.985 -0.514 -11.378 1.00 21.23 H new ATOM 0 HB THR A 39 -2.678 -3.051 -11.649 1.00 22.34 H new ATOM 0 HG1 THR A 39 -1.848 -2.678 -13.820 1.00 52.42 H new ATOM 0 HG21 THR A 39 -3.789 -4.032 -13.621 1.00 73.35 H new ATOM 0 HG22 THR A 39 -4.956 -3.602 -12.348 1.00 73.35 H new ATOM 0 HG23 THR A 39 -4.782 -2.565 -13.783 1.00 73.35 H new ATOM 637 N VAL A 40 -6.124 -0.835 -12.173 1.00 33.21 N ATOM 638 CA VAL A 40 -7.205 -0.225 -12.927 1.00 15.33 C ATOM 639 C VAL A 40 -7.699 1.057 -12.248 1.00 61.44 C ATOM 640 O VAL A 40 -8.288 1.921 -12.898 1.00 22.01 O ATOM 641 CB VAL A 40 -8.376 -1.209 -13.161 1.00 55.22 C ATOM 642 CG1 VAL A 40 -9.164 -1.455 -11.883 1.00 43.23 C ATOM 643 CG2 VAL A 40 -9.282 -0.716 -14.280 1.00 34.41 C ATOM 0 H VAL A 40 -6.421 -1.500 -11.459 1.00 33.21 H new ATOM 0 HA VAL A 40 -6.802 0.039 -13.904 1.00 15.33 H new ATOM 0 HB VAL A 40 -7.949 -2.164 -13.467 1.00 55.22 H new ATOM 0 HG11 VAL A 40 -9.978 -2.151 -12.086 1.00 43.23 H new ATOM 0 HG12 VAL A 40 -8.505 -1.879 -11.125 1.00 43.23 H new ATOM 0 HG13 VAL A 40 -9.574 -0.512 -11.521 1.00 43.23 H new ATOM 0 HG21 VAL A 40 -10.098 -1.424 -14.426 1.00 34.41 H new ATOM 0 HG22 VAL A 40 -9.691 0.259 -14.014 1.00 34.41 H new ATOM 0 HG23 VAL A 40 -8.707 -0.629 -15.202 1.00 34.41 H new ATOM 653 N VAL A 41 -7.451 1.192 -10.942 1.00 41.11 N ATOM 654 CA VAL A 41 -7.651 2.483 -10.282 1.00 73.21 C ATOM 655 C VAL A 41 -6.428 3.356 -10.528 1.00 13.21 C ATOM 656 O VAL A 41 -6.308 4.454 -9.984 1.00 11.21 O ATOM 657 CB VAL A 41 -7.948 2.374 -8.767 1.00 4.43 C ATOM 658 CG1 VAL A 41 -9.195 1.537 -8.523 1.00 54.54 C ATOM 659 CG2 VAL A 41 -6.760 1.813 -7.997 1.00 71.32 C ATOM 0 H VAL A 41 -7.120 0.443 -10.334 1.00 41.11 H new ATOM 0 HA VAL A 41 -8.542 2.935 -10.718 1.00 73.21 H new ATOM 0 HB VAL A 41 -8.129 3.382 -8.395 1.00 4.43 H new ATOM 0 HG11 VAL A 41 -9.386 1.473 -7.452 1.00 54.54 H new ATOM 0 HG12 VAL A 41 -10.048 2.003 -9.017 1.00 54.54 H new ATOM 0 HG13 VAL A 41 -9.045 0.535 -8.926 1.00 54.54 H new ATOM 0 HG21 VAL A 41 -7.009 1.752 -6.938 1.00 71.32 H new ATOM 0 HG22 VAL A 41 -6.521 0.817 -8.371 1.00 71.32 H new ATOM 0 HG23 VAL A 41 -5.898 2.467 -8.130 1.00 71.32 H new ATOM 669 N ASP A 42 -5.514 2.797 -11.331 1.00 42.42 N ATOM 670 CA ASP A 42 -4.429 3.533 -11.990 1.00 24.41 C ATOM 671 C ASP A 42 -3.154 3.526 -11.162 1.00 40.13 C ATOM 672 O ASP A 42 -2.537 4.565 -10.941 1.00 14.25 O ATOM 673 CB ASP A 42 -4.829 4.975 -12.351 1.00 51.14 C ATOM 674 CG ASP A 42 -5.957 5.052 -13.368 1.00 12.12 C ATOM 675 OD1 ASP A 42 -5.755 4.616 -14.523 1.00 30.40 O ATOM 676 OD2 ASP A 42 -7.047 5.562 -13.025 1.00 74.13 O ATOM 0 H ASP A 42 -5.508 1.800 -11.545 1.00 42.42 H new ATOM 0 HA ASP A 42 -4.232 3.004 -12.922 1.00 24.41 H new ATOM 0 HB2 ASP A 42 -5.131 5.498 -11.444 1.00 51.14 H new ATOM 0 HB3 ASP A 42 -3.958 5.498 -12.745 1.00 51.14 H new ATOM 681 N GLN A 43 -2.744 2.339 -10.724 1.00 70.02 N ATOM 682 CA GLN A 43 -1.479 2.192 -10.013 1.00 33.14 C ATOM 683 C GLN A 43 -0.320 2.088 -11.003 1.00 74.11 C ATOM 684 O GLN A 43 0.817 2.434 -10.685 1.00 34.43 O ATOM 685 CB GLN A 43 -1.496 0.960 -9.098 1.00 62.23 C ATOM 686 CG GLN A 43 -1.199 -0.353 -9.811 1.00 15.12 C ATOM 687 CD GLN A 43 -1.025 -1.513 -8.852 1.00 51.41 C ATOM 688 OE1 GLN A 43 -1.352 -2.713 -9.307 1.00 52.22 O flip ATOM 689 NE2 GLN A 43 -0.597 -1.339 -7.715 1.00 62.52 N flip ATOM 0 H GLN A 43 -3.265 1.471 -10.848 1.00 70.02 H new ATOM 0 HA GLN A 43 -1.341 3.078 -9.393 1.00 33.14 H new ATOM 0 HB2 GLN A 43 -0.764 1.102 -8.303 1.00 62.23 H new ATOM 0 HB3 GLN A 43 -2.474 0.889 -8.622 1.00 62.23 H new ATOM 0 HG2 GLN A 43 -2.011 -0.578 -10.503 1.00 15.12 H new ATOM 0 HG3 GLN A 43 -0.294 -0.241 -10.407 1.00 15.12 H new ATOM 0 HE21 GLN A 43 -0.355 -0.400 -7.399 1.00 62.52 H new ATOM 0 HE22 GLN A 43 -0.483 -2.134 -7.086 1.00 62.52 H new ATOM 698 N ASP A 44 -0.615 1.620 -12.215 1.00 4.55 N ATOM 699 CA ASP A 44 0.419 1.449 -13.233 1.00 4.42 C ATOM 700 C ASP A 44 -0.040 1.955 -14.609 1.00 3.53 C ATOM 701 O ASP A 44 -0.234 1.174 -15.542 1.00 74.21 O ATOM 702 CB ASP A 44 0.855 -0.023 -13.313 1.00 12.55 C ATOM 703 CG ASP A 44 1.927 -0.262 -14.361 1.00 73.43 C ATOM 704 OD1 ASP A 44 3.001 0.362 -14.275 1.00 20.10 O ATOM 705 OD2 ASP A 44 1.699 -1.082 -15.278 1.00 51.23 O ATOM 0 H ASP A 44 -1.553 1.355 -12.514 1.00 4.55 H new ATOM 0 HA ASP A 44 1.275 2.054 -12.936 1.00 4.42 H new ATOM 0 HB2 ASP A 44 1.228 -0.340 -12.339 1.00 12.55 H new ATOM 0 HB3 ASP A 44 -0.013 -0.643 -13.539 1.00 12.55 H new ATOM 710 N PRO A 45 -0.284 3.269 -14.741 1.00 45.20 N ATOM 711 CA PRO A 45 -0.488 3.910 -16.036 1.00 52.44 C ATOM 712 C PRO A 45 0.801 4.533 -16.579 1.00 74.24 C ATOM 713 O PRO A 45 0.766 5.407 -17.447 1.00 62.14 O ATOM 714 CB PRO A 45 -1.506 4.995 -15.704 1.00 1.51 C ATOM 715 CG PRO A 45 -1.157 5.426 -14.317 1.00 65.31 C ATOM 716 CD PRO A 45 -0.470 4.229 -13.642 1.00 61.54 C ATOM 0 HA PRO A 45 -0.811 3.211 -16.808 1.00 52.44 H new ATOM 0 HB2 PRO A 45 -1.442 5.827 -16.406 1.00 1.51 H new ATOM 0 HB3 PRO A 45 -2.525 4.612 -15.756 1.00 1.51 H new ATOM 0 HG2 PRO A 45 -0.495 6.292 -14.336 1.00 65.31 H new ATOM 0 HG3 PRO A 45 -2.051 5.720 -13.767 1.00 65.31 H new ATOM 0 HD2 PRO A 45 0.482 4.514 -13.194 1.00 61.54 H new ATOM 0 HD3 PRO A 45 -1.085 3.811 -12.845 1.00 61.54 H new ATOM 724 N GLY A 46 1.937 4.088 -16.055 1.00 55.33 N ATOM 725 CA GLY A 46 3.214 4.630 -16.480 1.00 24.14 C ATOM 726 C GLY A 46 3.656 5.793 -15.614 1.00 23.24 C ATOM 727 O GLY A 46 4.604 5.672 -14.837 1.00 1.42 O ATOM 0 H GLY A 46 1.997 3.361 -15.342 1.00 55.33 H new ATOM 0 HA2 GLY A 46 3.970 3.845 -16.446 1.00 24.14 H new ATOM 0 HA3 GLY A 46 3.141 4.958 -17.517 1.00 24.14 H new ATOM 731 N GLN A 47 2.968 6.916 -15.752 1.00 64.44 N ATOM 732 CA GLN A 47 3.245 8.095 -14.942 1.00 54.22 C ATOM 733 C GLN A 47 2.061 8.378 -14.030 1.00 74.41 C ATOM 734 O GLN A 47 0.938 8.568 -14.503 1.00 40.14 O ATOM 735 CB GLN A 47 3.527 9.306 -15.837 1.00 12.43 C ATOM 736 CG GLN A 47 3.807 10.585 -15.064 1.00 41.24 C ATOM 737 CD GLN A 47 4.065 11.772 -15.970 1.00 44.11 C ATOM 738 OE1 GLN A 47 4.572 11.625 -17.081 1.00 24.04 O ATOM 739 NE2 GLN A 47 3.710 12.958 -15.500 1.00 14.13 N ATOM 0 H GLN A 47 2.208 7.037 -16.422 1.00 64.44 H new ATOM 0 HA GLN A 47 4.129 7.906 -14.333 1.00 54.22 H new ATOM 0 HB2 GLN A 47 4.382 9.083 -16.476 1.00 12.43 H new ATOM 0 HB3 GLN A 47 2.672 9.468 -16.494 1.00 12.43 H new ATOM 0 HG2 GLN A 47 2.959 10.806 -14.416 1.00 41.24 H new ATOM 0 HG3 GLN A 47 4.671 10.432 -14.418 1.00 41.24 H new ATOM 0 HE21 GLN A 47 3.292 13.035 -14.573 1.00 14.13 H new ATOM 0 HE22 GLN A 47 3.854 13.795 -16.065 1.00 14.13 H new ATOM 748 N VAL A 48 2.307 8.400 -12.729 1.00 65.33 N ATOM 749 CA VAL A 48 1.232 8.542 -11.760 1.00 11.31 C ATOM 750 C VAL A 48 1.773 8.960 -10.391 1.00 32.14 C ATOM 751 O VAL A 48 2.859 8.545 -9.994 1.00 62.44 O ATOM 752 CB VAL A 48 0.449 7.212 -11.644 1.00 42.33 C ATOM 753 CG1 VAL A 48 1.379 6.069 -11.249 1.00 12.03 C ATOM 754 CG2 VAL A 48 -0.708 7.333 -10.665 1.00 42.04 C ATOM 0 H VAL A 48 3.239 8.322 -12.321 1.00 65.33 H new ATOM 0 HA VAL A 48 0.559 9.326 -12.108 1.00 11.31 H new ATOM 0 HB VAL A 48 0.029 6.987 -12.624 1.00 42.33 H new ATOM 0 HG11 VAL A 48 0.807 5.144 -11.173 1.00 12.03 H new ATOM 0 HG12 VAL A 48 2.156 5.954 -12.005 1.00 12.03 H new ATOM 0 HG13 VAL A 48 1.839 6.291 -10.286 1.00 12.03 H new ATOM 0 HG21 VAL A 48 -1.237 6.382 -10.607 1.00 42.04 H new ATOM 0 HG22 VAL A 48 -0.324 7.595 -9.679 1.00 42.04 H new ATOM 0 HG23 VAL A 48 -1.393 8.109 -11.006 1.00 42.04 H new ATOM 764 N GLU A 49 1.017 9.807 -9.697 1.00 53.23 N ATOM 765 CA GLU A 49 1.343 10.202 -8.331 1.00 71.44 C ATOM 766 C GLU A 49 0.361 9.541 -7.372 1.00 2.52 C ATOM 767 O GLU A 49 -0.775 9.997 -7.231 1.00 3.22 O ATOM 768 CB GLU A 49 1.279 11.729 -8.182 1.00 61.04 C ATOM 769 CG GLU A 49 1.637 12.227 -6.786 1.00 61.42 C ATOM 770 CD GLU A 49 1.521 13.734 -6.653 1.00 55.23 C ATOM 771 OE1 GLU A 49 2.298 14.452 -7.316 1.00 54.50 O ATOM 772 OE2 GLU A 49 0.654 14.206 -5.883 1.00 41.41 O ATOM 0 H GLU A 49 0.167 10.236 -10.063 1.00 53.23 H new ATOM 0 HA GLU A 49 2.357 9.879 -8.097 1.00 71.44 H new ATOM 0 HB2 GLU A 49 1.957 12.184 -8.905 1.00 61.04 H new ATOM 0 HB3 GLU A 49 0.273 12.067 -8.431 1.00 61.04 H new ATOM 0 HG2 GLU A 49 0.982 11.751 -6.056 1.00 61.42 H new ATOM 0 HG3 GLU A 49 2.656 11.923 -6.547 1.00 61.42 H new ATOM 779 N TRP A 50 0.780 8.464 -6.726 1.00 11.10 N ATOM 780 CA TRP A 50 -0.134 7.690 -5.907 1.00 53.04 C ATOM 781 C TRP A 50 0.589 7.015 -4.761 1.00 64.13 C ATOM 782 O TRP A 50 1.821 7.040 -4.670 1.00 31.31 O ATOM 783 CB TRP A 50 -0.871 6.640 -6.751 1.00 30.30 C ATOM 784 CG TRP A 50 -0.065 5.425 -7.109 1.00 4.31 C ATOM 785 CD1 TRP A 50 0.930 5.340 -8.036 1.00 53.44 C ATOM 786 CD2 TRP A 50 -0.210 4.111 -6.555 1.00 20.34 C ATOM 787 NE1 TRP A 50 1.417 4.058 -8.089 1.00 20.34 N ATOM 788 CE2 TRP A 50 0.737 3.286 -7.186 1.00 12.41 C ATOM 789 CE3 TRP A 50 -1.042 3.556 -5.581 1.00 42.31 C ATOM 790 CZ2 TRP A 50 0.874 1.935 -6.879 1.00 34.53 C ATOM 791 CZ3 TRP A 50 -0.906 2.216 -5.275 1.00 13.53 C ATOM 792 CH2 TRP A 50 0.047 1.419 -5.923 1.00 4.31 C ATOM 0 H TRP A 50 1.736 8.110 -6.753 1.00 11.10 H new ATOM 0 HA TRP A 50 -0.865 8.384 -5.491 1.00 53.04 H new ATOM 0 HB2 TRP A 50 -1.760 6.319 -6.207 1.00 30.30 H new ATOM 0 HB3 TRP A 50 -1.214 7.113 -7.671 1.00 30.30 H new ATOM 0 HD1 TRP A 50 1.284 6.162 -8.641 1.00 53.44 H new ATOM 0 HE1 TRP A 50 2.165 3.733 -8.702 1.00 20.34 H new ATOM 0 HE3 TRP A 50 -1.779 4.163 -5.076 1.00 42.31 H new ATOM 0 HZ2 TRP A 50 1.607 1.318 -7.378 1.00 34.53 H new ATOM 0 HZ3 TRP A 50 -1.545 1.775 -4.524 1.00 13.53 H new ATOM 0 HH2 TRP A 50 0.129 0.375 -5.661 1.00 4.31 H new ATOM 803 N PHE A 51 -0.186 6.422 -3.875 1.00 23.31 N ATOM 804 CA PHE A 51 0.377 5.652 -2.792 1.00 52.04 C ATOM 805 C PHE A 51 -0.684 4.830 -2.088 1.00 3.51 C ATOM 806 O PHE A 51 -1.884 5.088 -2.224 1.00 24.42 O ATOM 807 CB PHE A 51 1.094 6.567 -1.801 1.00 3.53 C ATOM 808 CG PHE A 51 0.217 7.549 -1.079 1.00 3.55 C ATOM 809 CD1 PHE A 51 -0.246 8.690 -1.714 1.00 35.10 C ATOM 810 CD2 PHE A 51 -0.106 7.344 0.250 1.00 13.32 C ATOM 811 CE1 PHE A 51 -1.016 9.612 -1.031 1.00 24.45 C ATOM 812 CE2 PHE A 51 -0.878 8.253 0.935 1.00 14.03 C ATOM 813 CZ PHE A 51 -1.334 9.393 0.295 1.00 13.04 C ATOM 0 H PHE A 51 -1.205 6.460 -3.886 1.00 23.31 H new ATOM 0 HA PHE A 51 1.104 4.960 -3.217 1.00 52.04 H new ATOM 0 HB2 PHE A 51 1.601 5.947 -1.062 1.00 3.53 H new ATOM 0 HB3 PHE A 51 1.866 7.120 -2.336 1.00 3.53 H new ATOM 0 HD1 PHE A 51 -0.003 8.860 -2.752 1.00 35.10 H new ATOM 0 HD2 PHE A 51 0.252 6.460 0.756 1.00 13.32 H new ATOM 0 HE1 PHE A 51 -1.368 10.501 -1.533 1.00 24.45 H new ATOM 0 HE2 PHE A 51 -1.128 8.078 1.971 1.00 14.03 H new ATOM 0 HZ PHE A 51 -1.937 10.110 0.832 1.00 13.04 H new ATOM 823 N VAL A 52 -0.234 3.831 -1.345 1.00 24.44 N ATOM 824 CA VAL A 52 -1.137 2.999 -0.574 1.00 45.34 C ATOM 825 C VAL A 52 -1.128 3.412 0.884 1.00 3.13 C ATOM 826 O VAL A 52 -0.072 3.605 1.498 1.00 50.32 O ATOM 827 CB VAL A 52 -0.829 1.493 -0.706 1.00 71.10 C ATOM 828 CG1 VAL A 52 -1.220 0.988 -2.084 1.00 55.11 C ATOM 829 CG2 VAL A 52 0.636 1.208 -0.437 1.00 64.13 C ATOM 0 H VAL A 52 0.751 3.579 -1.261 1.00 24.44 H new ATOM 0 HA VAL A 52 -2.133 3.155 -0.989 1.00 45.34 H new ATOM 0 HB VAL A 52 -1.420 0.964 0.042 1.00 71.10 H new ATOM 0 HG11 VAL A 52 -0.996 -0.076 -2.159 1.00 55.11 H new ATOM 0 HG12 VAL A 52 -2.287 1.146 -2.240 1.00 55.11 H new ATOM 0 HG13 VAL A 52 -0.658 1.532 -2.844 1.00 55.11 H new ATOM 0 HG21 VAL A 52 0.823 0.139 -0.537 1.00 64.13 H new ATOM 0 HG22 VAL A 52 1.250 1.753 -1.154 1.00 64.13 H new ATOM 0 HG23 VAL A 52 0.889 1.527 0.574 1.00 64.13 H new ATOM 839 N LEU A 53 -2.322 3.557 1.416 1.00 11.02 N ATOM 840 CA LEU A 53 -2.519 4.096 2.743 1.00 74.41 C ATOM 841 C LEU A 53 -2.923 2.991 3.710 1.00 44.25 C ATOM 842 O LEU A 53 -3.686 2.092 3.353 1.00 45.42 O ATOM 843 CB LEU A 53 -3.628 5.149 2.677 1.00 35.14 C ATOM 844 CG LEU A 53 -3.749 6.086 3.879 1.00 5.33 C ATOM 845 CD1 LEU A 53 -2.750 7.222 3.765 1.00 44.11 C ATOM 846 CD2 LEU A 53 -5.167 6.629 3.992 1.00 30.11 C ATOM 0 H LEU A 53 -3.187 3.303 0.938 1.00 11.02 H new ATOM 0 HA LEU A 53 -1.590 4.543 3.098 1.00 74.41 H new ATOM 0 HB2 LEU A 53 -3.470 5.756 1.785 1.00 35.14 H new ATOM 0 HB3 LEU A 53 -4.580 4.635 2.548 1.00 35.14 H new ATOM 0 HG LEU A 53 -3.526 5.520 4.784 1.00 5.33 H new ATOM 0 HD11 LEU A 53 -2.848 7.881 4.628 1.00 44.11 H new ATOM 0 HD12 LEU A 53 -1.739 6.816 3.732 1.00 44.11 H new ATOM 0 HD13 LEU A 53 -2.944 7.787 2.853 1.00 44.11 H new ATOM 0 HD21 LEU A 53 -5.234 7.294 4.853 1.00 30.11 H new ATOM 0 HD22 LEU A 53 -5.418 7.181 3.086 1.00 30.11 H new ATOM 0 HD23 LEU A 53 -5.865 5.801 4.117 1.00 30.11 H new ATOM 858 N ASN A 54 -2.387 3.030 4.917 1.00 62.11 N ATOM 859 CA ASN A 54 -2.918 2.204 5.990 1.00 41.12 C ATOM 860 C ASN A 54 -4.261 2.774 6.427 1.00 40.41 C ATOM 861 O ASN A 54 -4.570 3.929 6.134 1.00 14.42 O ATOM 862 CB ASN A 54 -1.962 2.152 7.182 1.00 73.01 C ATOM 863 CG ASN A 54 -1.806 3.495 7.871 1.00 51.24 C ATOM 864 OD1 ASN A 54 -2.580 3.845 8.761 1.00 5.31 O ATOM 865 ND2 ASN A 54 -0.795 4.248 7.478 1.00 74.34 N ATOM 0 H ASN A 54 -1.594 3.616 5.178 1.00 62.11 H new ATOM 0 HA ASN A 54 -3.040 1.186 5.621 1.00 41.12 H new ATOM 0 HB2 ASN A 54 -2.327 1.420 7.902 1.00 73.01 H new ATOM 0 HB3 ASN A 54 -0.985 1.807 6.843 1.00 73.01 H new ATOM 0 HD21 ASN A 54 -0.634 5.155 7.916 1.00 74.34 H new ATOM 0 HD22 ASN A 54 -0.175 3.923 6.736 1.00 74.34 H new ATOM 872 N ALA A 55 -5.060 1.983 7.124 1.00 5.12 N ATOM 873 CA ALA A 55 -6.370 2.445 7.555 1.00 54.30 C ATOM 874 C ALA A 55 -6.831 1.701 8.795 1.00 5.55 C ATOM 875 O ALA A 55 -7.795 0.938 8.745 1.00 70.42 O ATOM 876 CB ALA A 55 -7.394 2.315 6.434 1.00 13.52 C ATOM 0 H ALA A 55 -4.829 1.029 7.401 1.00 5.12 H new ATOM 0 HA ALA A 55 -6.281 3.501 7.809 1.00 54.30 H new ATOM 0 HB1 ALA A 55 -8.364 2.668 6.785 1.00 13.52 H new ATOM 0 HB2 ALA A 55 -7.077 2.914 5.580 1.00 13.52 H new ATOM 0 HB3 ALA A 55 -7.475 1.270 6.134 1.00 13.52 H new ATOM 882 N GLU A 56 -6.094 1.901 9.885 1.00 55.24 N ATOM 883 CA GLU A 56 -6.466 1.394 11.208 1.00 24.30 C ATOM 884 C GLU A 56 -6.365 -0.133 11.298 1.00 33.24 C ATOM 885 O GLU A 56 -5.419 -0.668 11.872 1.00 62.21 O ATOM 886 CB GLU A 56 -7.883 1.859 11.576 1.00 64.31 C ATOM 887 CG GLU A 56 -8.242 1.672 13.042 1.00 41.31 C ATOM 888 CD GLU A 56 -7.404 2.537 13.962 1.00 15.14 C ATOM 889 OE1 GLU A 56 -7.336 3.764 13.737 1.00 24.14 O ATOM 890 OE2 GLU A 56 -6.807 1.995 14.916 1.00 40.30 O ATOM 0 H GLU A 56 -5.217 2.422 9.878 1.00 55.24 H new ATOM 0 HA GLU A 56 -5.753 1.805 11.923 1.00 24.30 H new ATOM 0 HB2 GLU A 56 -7.984 2.914 11.321 1.00 64.31 H new ATOM 0 HB3 GLU A 56 -8.602 1.313 10.965 1.00 64.31 H new ATOM 0 HG2 GLU A 56 -9.296 1.909 13.187 1.00 41.31 H new ATOM 0 HG3 GLU A 56 -8.110 0.625 13.314 1.00 41.31 H new ATOM 897 N SER A 57 -7.317 -0.821 10.687 1.00 14.30 N ATOM 898 CA SER A 57 -7.492 -2.254 10.896 1.00 44.12 C ATOM 899 C SER A 57 -6.708 -3.108 9.898 1.00 72.22 C ATOM 900 O SER A 57 -7.090 -4.246 9.616 1.00 62.24 O ATOM 901 CB SER A 57 -8.978 -2.596 10.817 1.00 31.13 C ATOM 902 OG SER A 57 -9.728 -1.836 11.750 1.00 33.23 O ATOM 0 H SER A 57 -7.986 -0.408 10.037 1.00 14.30 H new ATOM 0 HA SER A 57 -7.095 -2.487 11.884 1.00 44.12 H new ATOM 0 HB2 SER A 57 -9.345 -2.404 9.809 1.00 31.13 H new ATOM 0 HB3 SER A 57 -9.120 -3.659 11.011 1.00 31.13 H new ATOM 0 HG SER A 57 -10.676 -2.073 11.678 1.00 33.23 H new ATOM 908 N ASN A 58 -5.601 -2.589 9.382 1.00 54.13 N ATOM 909 CA ASN A 58 -4.723 -3.396 8.538 1.00 52.23 C ATOM 910 C ASN A 58 -3.899 -4.340 9.408 1.00 2.23 C ATOM 911 O ASN A 58 -2.697 -4.175 9.580 1.00 64.23 O ATOM 912 CB ASN A 58 -3.829 -2.523 7.643 1.00 44.23 C ATOM 913 CG ASN A 58 -3.148 -1.379 8.377 1.00 5.42 C ATOM 914 OD1 ASN A 58 -3.732 -0.302 8.536 1.00 12.11 O ATOM 915 ND2 ASN A 58 -1.909 -1.583 8.793 1.00 32.14 N ATOM 0 H ASN A 58 -5.291 -1.628 9.529 1.00 54.13 H new ATOM 0 HA ASN A 58 -5.341 -3.991 7.866 1.00 52.23 H new ATOM 0 HB2 ASN A 58 -3.066 -3.152 7.185 1.00 44.23 H new ATOM 0 HB3 ASN A 58 -4.433 -2.113 6.833 1.00 44.23 H new ATOM 0 HD21 ASN A 58 -1.400 -0.836 9.265 1.00 32.14 H new ATOM 0 HD22 ASN A 58 -1.463 -2.488 8.642 1.00 32.14 H new ATOM 922 N VAL A 59 -4.590 -5.318 9.982 1.00 50.12 N ATOM 923 CA VAL A 59 -4.002 -6.197 10.979 1.00 3.10 C ATOM 924 C VAL A 59 -4.246 -7.662 10.643 1.00 72.23 C ATOM 925 O VAL A 59 -3.344 -8.367 10.199 1.00 12.43 O ATOM 926 CB VAL A 59 -4.606 -5.918 12.363 1.00 10.25 C ATOM 927 CG1 VAL A 59 -3.873 -6.697 13.447 1.00 10.13 C ATOM 928 CG2 VAL A 59 -4.608 -4.429 12.674 1.00 15.00 C ATOM 0 H VAL A 59 -5.567 -5.521 9.770 1.00 50.12 H new ATOM 0 HA VAL A 59 -2.930 -6.000 10.985 1.00 3.10 H new ATOM 0 HB VAL A 59 -5.642 -6.257 12.345 1.00 10.25 H new ATOM 0 HG11 VAL A 59 -4.321 -6.481 14.417 1.00 10.13 H new ATOM 0 HG12 VAL A 59 -3.949 -7.765 13.242 1.00 10.13 H new ATOM 0 HG13 VAL A 59 -2.823 -6.404 13.459 1.00 10.13 H new ATOM 0 HG21 VAL A 59 -5.042 -4.264 13.660 1.00 15.00 H new ATOM 0 HG22 VAL A 59 -3.585 -4.053 12.660 1.00 15.00 H new ATOM 0 HG23 VAL A 59 -5.199 -3.902 11.925 1.00 15.00 H new ATOM 938 N GLU A 60 -5.487 -8.111 10.835 1.00 53.41 N ATOM 939 CA GLU A 60 -5.819 -9.519 10.679 1.00 40.33 C ATOM 940 C GLU A 60 -6.440 -9.733 9.321 1.00 14.04 C ATOM 941 O GLU A 60 -6.781 -10.845 8.939 1.00 24.54 O ATOM 942 CB GLU A 60 -6.801 -9.966 11.761 1.00 41.53 C ATOM 943 CG GLU A 60 -6.289 -9.763 13.174 1.00 33.33 C ATOM 944 CD GLU A 60 -7.287 -10.222 14.211 1.00 23.15 C ATOM 945 OE1 GLU A 60 -7.246 -11.409 14.595 1.00 43.33 O ATOM 946 OE2 GLU A 60 -8.117 -9.402 14.654 1.00 54.31 O ATOM 0 H GLU A 60 -6.274 -7.518 11.098 1.00 53.41 H new ATOM 0 HA GLU A 60 -4.907 -10.108 10.773 1.00 40.33 H new ATOM 0 HB2 GLU A 60 -7.735 -9.417 11.640 1.00 41.53 H new ATOM 0 HB3 GLU A 60 -7.031 -11.022 11.616 1.00 41.53 H new ATOM 0 HG2 GLU A 60 -5.355 -10.310 13.303 1.00 33.33 H new ATOM 0 HG3 GLU A 60 -6.064 -8.708 13.330 1.00 33.33 H new ATOM 953 N VAL A 61 -6.572 -8.637 8.604 1.00 22.32 N ATOM 954 CA VAL A 61 -7.257 -8.626 7.334 1.00 42.21 C ATOM 955 C VAL A 61 -6.323 -9.070 6.214 1.00 2.24 C ATOM 956 O VAL A 61 -6.708 -9.813 5.309 1.00 51.21 O ATOM 957 CB VAL A 61 -7.822 -7.210 7.053 1.00 33.40 C ATOM 958 CG1 VAL A 61 -8.702 -6.763 8.214 1.00 43.35 C ATOM 959 CG2 VAL A 61 -6.713 -6.192 6.814 1.00 73.14 C ATOM 0 H VAL A 61 -6.206 -7.728 8.888 1.00 22.32 H new ATOM 0 HA VAL A 61 -8.087 -9.331 7.375 1.00 42.21 H new ATOM 0 HB VAL A 61 -8.418 -7.265 6.142 1.00 33.40 H new ATOM 0 HG11 VAL A 61 -9.096 -5.767 8.010 1.00 43.35 H new ATOM 0 HG12 VAL A 61 -9.529 -7.463 8.334 1.00 43.35 H new ATOM 0 HG13 VAL A 61 -8.111 -6.739 9.130 1.00 43.35 H new ATOM 0 HG21 VAL A 61 -7.153 -5.213 6.621 1.00 73.14 H new ATOM 0 HG22 VAL A 61 -6.075 -6.135 7.696 1.00 73.14 H new ATOM 0 HG23 VAL A 61 -6.117 -6.498 5.954 1.00 73.14 H new ATOM 969 N ASP A 62 -5.075 -8.678 6.341 1.00 72.13 N ATOM 970 CA ASP A 62 -4.111 -8.830 5.279 1.00 43.11 C ATOM 971 C ASP A 62 -2.843 -9.454 5.856 1.00 14.13 C ATOM 972 O ASP A 62 -2.127 -8.811 6.619 1.00 22.52 O ATOM 973 CB ASP A 62 -3.836 -7.443 4.694 1.00 74.40 C ATOM 974 CG ASP A 62 -3.760 -7.425 3.174 1.00 32.14 C ATOM 975 OD1 ASP A 62 -3.529 -8.489 2.565 1.00 20.44 O ATOM 976 OD2 ASP A 62 -3.931 -6.335 2.578 1.00 60.23 O ATOM 0 H ASP A 62 -4.701 -8.245 7.185 1.00 72.13 H new ATOM 0 HA ASP A 62 -4.481 -9.482 4.488 1.00 43.11 H new ATOM 0 HB2 ASP A 62 -4.621 -6.759 5.018 1.00 74.40 H new ATOM 0 HB3 ASP A 62 -2.897 -7.066 5.101 1.00 74.40 H new ATOM 981 N LEU A 63 -2.581 -10.716 5.522 1.00 2.10 N ATOM 982 CA LEU A 63 -1.541 -11.484 6.216 1.00 50.13 C ATOM 983 C LEU A 63 -0.300 -11.656 5.352 1.00 42.52 C ATOM 984 O LEU A 63 0.704 -10.974 5.548 1.00 51.43 O ATOM 985 CB LEU A 63 -2.064 -12.863 6.647 1.00 11.44 C ATOM 986 CG LEU A 63 -3.060 -12.874 7.811 1.00 73.13 C ATOM 987 CD1 LEU A 63 -4.385 -12.246 7.411 1.00 1.25 C ATOM 988 CD2 LEU A 63 -3.277 -14.297 8.303 1.00 21.14 C ATOM 0 H LEU A 63 -3.066 -11.227 4.784 1.00 2.10 H new ATOM 0 HA LEU A 63 -1.268 -10.915 7.104 1.00 50.13 H new ATOM 0 HB2 LEU A 63 -2.538 -13.334 5.786 1.00 11.44 H new ATOM 0 HB3 LEU A 63 -1.210 -13.483 6.920 1.00 11.44 H new ATOM 0 HG LEU A 63 -2.638 -12.278 8.620 1.00 73.13 H new ATOM 0 HD11 LEU A 63 -5.069 -12.269 8.259 1.00 1.25 H new ATOM 0 HD12 LEU A 63 -4.220 -11.213 7.106 1.00 1.25 H new ATOM 0 HD13 LEU A 63 -4.817 -12.805 6.581 1.00 1.25 H new ATOM 0 HD21 LEU A 63 -3.987 -14.292 9.130 1.00 21.14 H new ATOM 0 HD22 LEU A 63 -3.672 -14.907 7.490 1.00 21.14 H new ATOM 0 HD23 LEU A 63 -2.328 -14.714 8.642 1.00 21.14 H new ATOM 1000 N THR A 64 -0.372 -12.556 4.378 1.00 50.14 N ATOM 1001 CA THR A 64 0.739 -12.783 3.463 1.00 21.02 C ATOM 1002 C THR A 64 0.754 -11.689 2.389 1.00 51.12 C ATOM 1003 O THR A 64 1.306 -11.846 1.281 1.00 51.33 O ATOM 1004 CB THR A 64 0.641 -14.187 2.840 1.00 54.35 C ATOM 1005 OG1 THR A 64 0.255 -15.125 3.853 1.00 51.22 O ATOM 1006 CG2 THR A 64 1.970 -14.628 2.247 1.00 70.24 C ATOM 0 H THR A 64 -1.189 -13.141 4.202 1.00 50.14 H new ATOM 0 HA THR A 64 1.679 -12.734 4.013 1.00 21.02 H new ATOM 0 HB THR A 64 -0.099 -14.151 2.041 1.00 54.35 H new ATOM 0 HG1 THR A 64 -0.483 -15.678 3.522 1.00 51.22 H new ATOM 0 HG21 THR A 64 1.864 -15.624 1.816 1.00 70.24 H new ATOM 0 HG22 THR A 64 2.272 -13.926 1.469 1.00 70.24 H new ATOM 0 HG23 THR A 64 2.728 -14.651 3.030 1.00 70.24 H new ATOM 1014 N ALA A 65 0.140 -10.566 2.756 1.00 75.14 N ATOM 1015 CA ALA A 65 0.156 -9.368 1.958 1.00 15.12 C ATOM 1016 C ALA A 65 1.577 -9.021 1.593 1.00 63.33 C ATOM 1017 O ALA A 65 1.898 -8.900 0.433 1.00 71.53 O ATOM 1018 CB ALA A 65 -0.480 -8.217 2.717 1.00 25.20 C ATOM 0 H ALA A 65 -0.384 -10.474 3.626 1.00 75.14 H new ATOM 0 HA ALA A 65 -0.418 -9.543 1.048 1.00 15.12 H new ATOM 0 HB1 ALA A 65 -0.460 -7.319 2.100 1.00 25.20 H new ATOM 0 HB2 ALA A 65 -1.513 -8.468 2.959 1.00 25.20 H new ATOM 0 HB3 ALA A 65 0.075 -8.037 3.637 1.00 25.20 H new ATOM 1024 N LEU A 66 2.436 -8.917 2.593 1.00 54.20 N ATOM 1025 CA LEU A 66 3.821 -8.529 2.361 1.00 24.31 C ATOM 1026 C LEU A 66 4.466 -9.362 1.263 1.00 4.35 C ATOM 1027 O LEU A 66 5.242 -8.847 0.483 1.00 14.35 O ATOM 1028 CB LEU A 66 4.644 -8.611 3.646 1.00 20.14 C ATOM 1029 CG LEU A 66 4.492 -7.410 4.582 1.00 13.24 C ATOM 1030 CD1 LEU A 66 4.622 -6.113 3.797 1.00 72.21 C ATOM 1031 CD2 LEU A 66 3.168 -7.459 5.327 1.00 63.11 C ATOM 0 H LEU A 66 2.202 -9.094 3.570 1.00 54.20 H new ATOM 0 HA LEU A 66 3.807 -7.491 2.028 1.00 24.31 H new ATOM 0 HB2 LEU A 66 4.359 -9.514 4.187 1.00 20.14 H new ATOM 0 HB3 LEU A 66 5.696 -8.717 3.381 1.00 20.14 H new ATOM 0 HG LEU A 66 5.290 -7.451 5.323 1.00 13.24 H new ATOM 0 HD11 LEU A 66 4.512 -5.266 4.474 1.00 72.21 H new ATOM 0 HD12 LEU A 66 5.602 -6.072 3.321 1.00 72.21 H new ATOM 0 HD13 LEU A 66 3.845 -6.071 3.033 1.00 72.21 H new ATOM 0 HD21 LEU A 66 3.088 -6.593 5.984 1.00 63.11 H new ATOM 0 HD22 LEU A 66 2.347 -7.448 4.610 1.00 63.11 H new ATOM 0 HD23 LEU A 66 3.118 -8.371 5.921 1.00 63.11 H new ATOM 1043 N ASP A 67 4.119 -10.628 1.170 1.00 11.44 N ATOM 1044 CA ASP A 67 4.674 -11.466 0.121 1.00 21.30 C ATOM 1045 C ASP A 67 4.213 -10.972 -1.255 1.00 61.35 C ATOM 1046 O ASP A 67 4.992 -10.380 -2.010 1.00 63.14 O ATOM 1047 CB ASP A 67 4.269 -12.922 0.341 1.00 23.05 C ATOM 1048 CG ASP A 67 5.086 -13.896 -0.485 1.00 41.12 C ATOM 1049 OD1 ASP A 67 6.152 -14.339 0.002 1.00 54.24 O ATOM 1050 OD2 ASP A 67 4.659 -14.250 -1.606 1.00 14.45 O ATOM 0 H ASP A 67 3.465 -11.097 1.797 1.00 11.44 H new ATOM 0 HA ASP A 67 5.762 -11.404 0.157 1.00 21.30 H new ATOM 0 HB2 ASP A 67 4.379 -13.168 1.397 1.00 23.05 H new ATOM 0 HB3 ASP A 67 3.214 -13.041 0.094 1.00 23.05 H new ATOM 1055 N ALA A 68 2.927 -11.147 -1.550 1.00 21.32 N ATOM 1056 CA ALA A 68 2.407 -10.821 -2.887 1.00 50.25 C ATOM 1057 C ALA A 68 2.347 -9.308 -3.123 1.00 21.12 C ATOM 1058 O ALA A 68 2.766 -8.792 -4.174 1.00 34.20 O ATOM 1059 CB ALA A 68 1.032 -11.443 -3.077 1.00 40.21 C ATOM 0 H ALA A 68 2.231 -11.507 -0.897 1.00 21.32 H new ATOM 0 HA ALA A 68 3.095 -11.237 -3.622 1.00 50.25 H new ATOM 0 HB1 ALA A 68 0.655 -11.196 -4.070 1.00 40.21 H new ATOM 0 HB2 ALA A 68 1.105 -12.526 -2.975 1.00 40.21 H new ATOM 0 HB3 ALA A 68 0.349 -11.053 -2.322 1.00 40.21 H new ATOM 1065 N LEU A 69 1.838 -8.607 -2.128 1.00 21.25 N ATOM 1066 CA LEU A 69 1.652 -7.170 -2.201 1.00 0.10 C ATOM 1067 C LEU A 69 2.985 -6.465 -2.374 1.00 12.20 C ATOM 1068 O LEU A 69 3.085 -5.595 -3.214 1.00 62.53 O ATOM 1069 CB LEU A 69 0.907 -6.661 -0.948 1.00 23.04 C ATOM 1070 CG LEU A 69 0.560 -5.162 -0.879 1.00 20.22 C ATOM 1071 CD1 LEU A 69 1.740 -4.340 -0.390 1.00 24.02 C ATOM 1072 CD2 LEU A 69 0.085 -4.650 -2.229 1.00 2.33 C ATOM 0 H LEU A 69 1.541 -9.019 -1.244 1.00 21.25 H new ATOM 0 HA LEU A 69 1.041 -6.941 -3.074 1.00 0.10 H new ATOM 0 HB2 LEU A 69 -0.022 -7.224 -0.859 1.00 23.04 H new ATOM 0 HB3 LEU A 69 1.513 -6.905 -0.076 1.00 23.04 H new ATOM 0 HG LEU A 69 -0.252 -5.050 -0.160 1.00 20.22 H new ATOM 0 HD11 LEU A 69 1.460 -3.287 -0.354 1.00 24.02 H new ATOM 0 HD12 LEU A 69 2.028 -4.674 0.607 1.00 24.02 H new ATOM 0 HD13 LEU A 69 2.580 -4.468 -1.072 1.00 24.02 H new ATOM 0 HD21 LEU A 69 -0.153 -3.589 -2.152 1.00 2.33 H new ATOM 0 HD22 LEU A 69 0.872 -4.793 -2.970 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -0.805 -5.201 -2.534 1.00 2.33 H new ATOM 1084 N ASP A 70 4.014 -6.843 -1.609 1.00 75.01 N ATOM 1085 CA ASP A 70 5.301 -6.153 -1.723 1.00 31.00 C ATOM 1086 C ASP A 70 5.914 -6.424 -3.080 1.00 72.21 C ATOM 1087 O ASP A 70 6.592 -5.565 -3.638 1.00 0.14 O ATOM 1088 CB ASP A 70 6.284 -6.580 -0.644 1.00 31.44 C ATOM 1089 CG ASP A 70 7.414 -5.591 -0.444 1.00 74.10 C ATOM 1090 OD1 ASP A 70 8.328 -5.542 -1.294 1.00 2.53 O ATOM 1091 OD2 ASP A 70 7.387 -4.853 0.568 1.00 22.21 O ATOM 0 H ASP A 70 3.985 -7.599 -0.925 1.00 75.01 H new ATOM 0 HA ASP A 70 5.103 -5.088 -1.598 1.00 31.00 H new ATOM 0 HB2 ASP A 70 5.749 -6.706 0.297 1.00 31.44 H new ATOM 0 HB3 ASP A 70 6.702 -7.552 -0.906 1.00 31.44 H new ATOM 1096 N GLN A 71 5.670 -7.623 -3.618 1.00 40.42 N ATOM 1097 CA GLN A 71 6.141 -7.941 -4.959 1.00 43.54 C ATOM 1098 C GLN A 71 5.723 -6.864 -5.940 1.00 51.14 C ATOM 1099 O GLN A 71 6.567 -6.264 -6.604 1.00 3.11 O ATOM 1100 CB GLN A 71 5.639 -9.307 -5.424 1.00 2.24 C ATOM 1101 CG GLN A 71 6.278 -10.451 -4.667 1.00 4.05 C ATOM 1102 CD GLN A 71 7.788 -10.367 -4.686 1.00 50.10 C ATOM 1103 OE1 GLN A 71 8.340 -9.596 -3.765 1.00 11.12 O flip ATOM 1104 NE2 GLN A 71 8.445 -10.952 -5.545 1.00 64.33 N flip ATOM 0 H GLN A 71 5.159 -8.373 -3.152 1.00 40.42 H new ATOM 0 HA GLN A 71 7.230 -7.982 -4.923 1.00 43.54 H new ATOM 0 HB2 GLN A 71 4.557 -9.354 -5.300 1.00 2.24 H new ATOM 0 HB3 GLN A 71 5.843 -9.422 -6.489 1.00 2.24 H new ATOM 0 HG2 GLN A 71 5.927 -10.444 -3.635 1.00 4.05 H new ATOM 0 HG3 GLN A 71 5.962 -11.398 -5.105 1.00 4.05 H new ATOM 0 HE21 GLN A 71 7.975 -11.537 -6.236 1.00 64.33 H new ATOM 0 HE22 GLN A 71 9.460 -10.852 -5.567 1.00 64.33 H new ATOM 1113 N LEU A 72 4.430 -6.586 -6.006 1.00 20.22 N ATOM 1114 CA LEU A 72 3.948 -5.558 -6.921 1.00 11.11 C ATOM 1115 C LEU A 72 4.191 -4.155 -6.362 1.00 33.31 C ATOM 1116 O LEU A 72 4.443 -3.217 -7.106 1.00 23.31 O ATOM 1117 CB LEU A 72 2.469 -5.781 -7.254 1.00 11.05 C ATOM 1118 CG LEU A 72 1.495 -5.778 -6.070 1.00 4.22 C ATOM 1119 CD1 LEU A 72 1.072 -4.361 -5.716 1.00 3.11 C ATOM 1120 CD2 LEU A 72 0.283 -6.638 -6.382 1.00 61.50 C ATOM 0 H LEU A 72 3.708 -7.045 -5.451 1.00 20.22 H new ATOM 0 HA LEU A 72 4.516 -5.638 -7.848 1.00 11.11 H new ATOM 0 HB2 LEU A 72 2.156 -5.007 -7.955 1.00 11.05 H new ATOM 0 HB3 LEU A 72 2.376 -6.736 -7.771 1.00 11.05 H new ATOM 0 HG LEU A 72 2.007 -6.200 -5.205 1.00 4.22 H new ATOM 0 HD11 LEU A 72 0.381 -4.387 -4.873 1.00 3.11 H new ATOM 0 HD12 LEU A 72 1.951 -3.775 -5.447 1.00 3.11 H new ATOM 0 HD13 LEU A 72 0.580 -3.903 -6.574 1.00 3.11 H new ATOM 0 HD21 LEU A 72 -0.400 -6.626 -5.532 1.00 61.50 H new ATOM 0 HD22 LEU A 72 -0.226 -6.244 -7.262 1.00 61.50 H new ATOM 0 HD23 LEU A 72 0.603 -7.662 -6.576 1.00 61.50 H new ATOM 1132 N ARG A 73 4.131 -4.023 -5.048 1.00 52.04 N ATOM 1133 CA ARG A 73 4.317 -2.737 -4.388 1.00 11.20 C ATOM 1134 C ARG A 73 5.701 -2.205 -4.711 1.00 12.34 C ATOM 1135 O ARG A 73 5.838 -1.173 -5.348 1.00 4.15 O ATOM 1136 CB ARG A 73 4.149 -2.907 -2.875 1.00 63.55 C ATOM 1137 CG ARG A 73 3.746 -1.654 -2.099 1.00 40.24 C ATOM 1138 CD ARG A 73 4.862 -0.612 -1.992 1.00 5.33 C ATOM 1139 NE ARG A 73 6.191 -1.172 -1.690 1.00 51.53 N ATOM 1140 CZ ARG A 73 6.475 -2.113 -0.774 1.00 54.50 C ATOM 1141 NH1 ARG A 73 5.542 -2.611 0.033 1.00 32.23 N ATOM 1142 NH2 ARG A 73 7.719 -2.538 -0.650 1.00 40.51 N ATOM 0 H ARG A 73 3.953 -4.798 -4.409 1.00 52.04 H new ATOM 0 HA ARG A 73 3.571 -2.026 -4.744 1.00 11.20 H new ATOM 0 HB2 ARG A 73 3.398 -3.677 -2.697 1.00 63.55 H new ATOM 0 HB3 ARG A 73 5.089 -3.277 -2.465 1.00 63.55 H new ATOM 0 HG2 ARG A 73 2.882 -1.200 -2.583 1.00 40.24 H new ATOM 0 HG3 ARG A 73 3.434 -1.943 -1.096 1.00 40.24 H new ATOM 0 HD2 ARG A 73 4.918 -0.060 -2.930 1.00 5.33 H new ATOM 0 HD3 ARG A 73 4.599 0.106 -1.215 1.00 5.33 H new ATOM 0 HE ARG A 73 6.975 -0.808 -2.231 1.00 51.53 H new ATOM 0 HH11 ARG A 73 4.580 -2.279 -0.034 1.00 32.23 H new ATOM 0 HH12 ARG A 73 5.789 -3.325 0.719 1.00 32.23 H new ATOM 0 HH21 ARG A 73 8.451 -2.152 -1.246 1.00 40.51 H new ATOM 0 HH22 ARG A 73 7.947 -3.252 0.042 1.00 40.51 H new ATOM 1156 N THR A 74 6.711 -2.950 -4.296 1.00 75.35 N ATOM 1157 CA THR A 74 8.092 -2.613 -4.577 1.00 44.21 C ATOM 1158 C THR A 74 8.316 -2.412 -6.073 1.00 33.33 C ATOM 1159 O THR A 74 8.830 -1.380 -6.504 1.00 10.13 O ATOM 1160 CB THR A 74 9.025 -3.734 -4.060 1.00 33.23 C ATOM 1161 OG1 THR A 74 9.319 -3.540 -2.673 1.00 11.24 O ATOM 1162 CG2 THR A 74 10.309 -3.810 -4.864 1.00 14.45 C ATOM 0 H THR A 74 6.594 -3.806 -3.754 1.00 75.35 H new ATOM 0 HA THR A 74 8.322 -1.679 -4.065 1.00 44.21 H new ATOM 0 HB THR A 74 8.500 -4.681 -4.183 1.00 33.23 H new ATOM 0 HG1 THR A 74 9.139 -4.368 -2.181 1.00 11.24 H new ATOM 0 HG21 THR A 74 10.938 -4.609 -4.471 1.00 14.45 H new ATOM 0 HG22 THR A 74 10.073 -4.015 -5.908 1.00 14.45 H new ATOM 0 HG23 THR A 74 10.840 -2.861 -4.792 1.00 14.45 H new ATOM 1170 N GLU A 75 7.886 -3.392 -6.860 1.00 31.13 N ATOM 1171 CA GLU A 75 8.189 -3.426 -8.282 1.00 42.31 C ATOM 1172 C GLU A 75 7.542 -2.260 -9.029 1.00 60.34 C ATOM 1173 O GLU A 75 8.066 -1.787 -10.039 1.00 42.14 O ATOM 1174 CB GLU A 75 7.726 -4.762 -8.860 1.00 23.41 C ATOM 1175 CG GLU A 75 8.285 -5.059 -10.242 1.00 71.23 C ATOM 1176 CD GLU A 75 9.796 -5.134 -10.251 1.00 24.42 C ATOM 1177 OE1 GLU A 75 10.344 -6.208 -9.927 1.00 21.11 O ATOM 1178 OE2 GLU A 75 10.445 -4.118 -10.586 1.00 30.30 O ATOM 0 H GLU A 75 7.323 -4.177 -6.532 1.00 31.13 H new ATOM 0 HA GLU A 75 9.267 -3.324 -8.410 1.00 42.31 H new ATOM 0 HB2 GLU A 75 8.019 -5.562 -8.180 1.00 23.41 H new ATOM 0 HB3 GLU A 75 6.637 -4.768 -8.910 1.00 23.41 H new ATOM 0 HG2 GLU A 75 7.875 -6.003 -10.601 1.00 71.23 H new ATOM 0 HG3 GLU A 75 7.959 -4.285 -10.937 1.00 71.23 H new ATOM 1185 N LEU A 76 6.413 -1.785 -8.530 1.00 34.04 N ATOM 1186 CA LEU A 76 5.678 -0.720 -9.202 1.00 3.45 C ATOM 1187 C LEU A 76 5.904 0.634 -8.525 1.00 41.21 C ATOM 1188 O LEU A 76 5.662 1.679 -9.124 1.00 42.42 O ATOM 1189 CB LEU A 76 4.180 -1.052 -9.258 1.00 73.54 C ATOM 1190 CG LEU A 76 3.758 -2.099 -10.309 1.00 1.14 C ATOM 1191 CD1 LEU A 76 4.413 -3.457 -10.064 1.00 33.03 C ATOM 1192 CD2 LEU A 76 2.247 -2.246 -10.322 1.00 63.34 C ATOM 0 H LEU A 76 5.985 -2.117 -7.666 1.00 34.04 H new ATOM 0 HA LEU A 76 6.059 -0.647 -10.221 1.00 3.45 H new ATOM 0 HB2 LEU A 76 3.870 -1.407 -8.275 1.00 73.54 H new ATOM 0 HB3 LEU A 76 3.631 -0.130 -9.451 1.00 73.54 H new ATOM 0 HG LEU A 76 4.099 -1.741 -11.280 1.00 1.14 H new ATOM 0 HD11 LEU A 76 4.086 -4.162 -10.829 1.00 33.03 H new ATOM 0 HD12 LEU A 76 5.497 -3.351 -10.107 1.00 33.03 H new ATOM 0 HD13 LEU A 76 4.124 -3.828 -9.081 1.00 33.03 H new ATOM 0 HD21 LEU A 76 1.960 -2.988 -11.068 1.00 63.34 H new ATOM 0 HD22 LEU A 76 1.904 -2.568 -9.339 1.00 63.34 H new ATOM 0 HD23 LEU A 76 1.790 -1.288 -10.569 1.00 63.34 H new ATOM 1204 N LEU A 77 6.383 0.615 -7.286 1.00 31.21 N ATOM 1205 CA LEU A 77 6.679 1.847 -6.558 1.00 62.53 C ATOM 1206 C LEU A 77 8.017 2.411 -7.018 1.00 24.33 C ATOM 1207 O LEU A 77 8.195 3.625 -7.115 1.00 62.41 O ATOM 1208 CB LEU A 77 6.688 1.585 -5.045 1.00 0.04 C ATOM 1209 CG LEU A 77 6.767 2.821 -4.140 1.00 73.01 C ATOM 1210 CD1 LEU A 77 6.162 2.510 -2.785 1.00 75.21 C ATOM 1211 CD2 LEU A 77 8.207 3.282 -3.962 1.00 61.43 C ATOM 0 H LEU A 77 6.575 -0.239 -6.763 1.00 31.21 H new ATOM 0 HA LEU A 77 5.901 2.581 -6.769 1.00 62.53 H new ATOM 0 HB2 LEU A 77 5.785 1.031 -4.789 1.00 0.04 H new ATOM 0 HB3 LEU A 77 7.535 0.938 -4.815 1.00 0.04 H new ATOM 0 HG LEU A 77 6.205 3.624 -4.617 1.00 73.01 H new ATOM 0 HD11 LEU A 77 6.222 3.393 -2.148 1.00 75.21 H new ATOM 0 HD12 LEU A 77 5.118 2.223 -2.910 1.00 75.21 H new ATOM 0 HD13 LEU A 77 6.711 1.690 -2.321 1.00 75.21 H new ATOM 0 HD21 LEU A 77 8.231 4.160 -3.316 1.00 61.43 H new ATOM 0 HD22 LEU A 77 8.792 2.482 -3.509 1.00 61.43 H new ATOM 0 HD23 LEU A 77 8.631 3.535 -4.934 1.00 61.43 H new ATOM 1223 N ARG A 78 8.937 1.517 -7.345 1.00 43.41 N ATOM 1224 CA ARG A 78 10.272 1.895 -7.807 1.00 33.33 C ATOM 1225 C ARG A 78 10.220 2.458 -9.239 1.00 23.04 C ATOM 1226 O ARG A 78 11.187 2.357 -9.995 1.00 61.31 O ATOM 1227 CB ARG A 78 11.182 0.656 -7.751 1.00 30.41 C ATOM 1228 CG ARG A 78 10.766 -0.440 -8.726 1.00 41.42 C ATOM 1229 CD ARG A 78 11.435 -1.774 -8.431 1.00 31.31 C ATOM 1230 NE ARG A 78 12.885 -1.731 -8.611 1.00 40.13 N ATOM 1231 CZ ARG A 78 13.597 -2.721 -9.151 1.00 31.23 C ATOM 1232 NH1 ARG A 78 12.993 -3.810 -9.608 1.00 13.42 N ATOM 1233 NH2 ARG A 78 14.917 -2.613 -9.253 1.00 43.22 N ATOM 0 H ARG A 78 8.784 0.510 -7.299 1.00 43.41 H new ATOM 0 HA ARG A 78 10.670 2.677 -7.160 1.00 33.33 H new ATOM 0 HB2 ARG A 78 12.207 0.956 -7.968 1.00 30.41 H new ATOM 0 HB3 ARG A 78 11.175 0.254 -6.738 1.00 30.41 H new ATOM 0 HG2 ARG A 78 9.684 -0.564 -8.686 1.00 41.42 H new ATOM 0 HG3 ARG A 78 11.014 -0.131 -9.741 1.00 41.42 H new ATOM 0 HD2 ARG A 78 11.209 -2.070 -7.407 1.00 31.31 H new ATOM 0 HD3 ARG A 78 11.015 -2.539 -9.084 1.00 31.31 H new ATOM 0 HE ARG A 78 13.382 -0.894 -8.305 1.00 40.13 H new ATOM 0 HH11 ARG A 78 11.978 -3.894 -9.548 1.00 13.42 H new ATOM 0 HH12 ARG A 78 13.543 -4.564 -10.020 1.00 13.42 H new ATOM 0 HH21 ARG A 78 15.387 -1.772 -8.918 1.00 43.22 H new ATOM 0 HH22 ARG A 78 15.460 -3.371 -9.666 1.00 43.22 H new ATOM 1247 N ARG A 79 9.097 3.069 -9.602 1.00 3.04 N ATOM 1248 CA ARG A 79 8.868 3.504 -10.976 1.00 30.21 C ATOM 1249 C ARG A 79 8.645 5.013 -11.075 1.00 71.21 C ATOM 1250 O ARG A 79 8.800 5.593 -12.150 1.00 43.22 O ATOM 1251 CB ARG A 79 7.666 2.759 -11.563 1.00 74.30 C ATOM 1252 CG ARG A 79 7.795 1.238 -11.526 1.00 24.44 C ATOM 1253 CD ARG A 79 8.810 0.711 -12.535 1.00 12.24 C ATOM 1254 NE ARG A 79 10.159 1.230 -12.300 1.00 40.21 N ATOM 1255 CZ ARG A 79 11.172 1.076 -13.148 1.00 42.32 C ATOM 1256 NH1 ARG A 79 11.031 0.318 -14.227 1.00 22.33 N ATOM 1257 NH2 ARG A 79 12.337 1.661 -12.895 1.00 43.14 N ATOM 0 H ARG A 79 8.329 3.275 -8.962 1.00 3.04 H new ATOM 0 HA ARG A 79 9.766 3.269 -11.548 1.00 30.21 H new ATOM 0 HB2 ARG A 79 6.769 3.050 -11.016 1.00 74.30 H new ATOM 0 HB3 ARG A 79 7.525 3.076 -12.596 1.00 74.30 H new ATOM 0 HG2 ARG A 79 8.089 0.926 -10.524 1.00 24.44 H new ATOM 0 HG3 ARG A 79 6.822 0.789 -11.727 1.00 24.44 H new ATOM 0 HD2 ARG A 79 8.831 -0.378 -12.489 1.00 12.24 H new ATOM 0 HD3 ARG A 79 8.491 0.982 -13.541 1.00 12.24 H new ATOM 0 HE ARG A 79 10.332 1.740 -11.434 1.00 40.21 H new ATOM 0 HH11 ARG A 79 10.143 -0.150 -14.409 1.00 22.33 H new ATOM 0 HH12 ARG A 79 11.811 0.203 -14.875 1.00 22.33 H new ATOM 0 HH21 ARG A 79 12.452 2.226 -12.053 1.00 43.14 H new ATOM 0 HH22 ARG A 79 13.117 1.546 -13.542 1.00 43.14 H new ATOM 1271 N GLY A 80 8.282 5.656 -9.970 1.00 4.53 N ATOM 1272 CA GLY A 80 8.040 7.085 -10.015 1.00 40.14 C ATOM 1273 C GLY A 80 7.572 7.655 -8.695 1.00 61.15 C ATOM 1274 O GLY A 80 7.947 7.159 -7.631 1.00 12.13 O ATOM 0 H GLY A 80 8.153 5.220 -9.057 1.00 4.53 H new ATOM 0 HA2 GLY A 80 8.956 7.592 -10.317 1.00 40.14 H new ATOM 0 HA3 GLY A 80 7.292 7.296 -10.779 1.00 40.14 H new ATOM 1278 N ILE A 81 6.758 8.704 -8.762 1.00 10.21 N ATOM 1279 CA ILE A 81 6.242 9.354 -7.566 1.00 22.21 C ATOM 1280 C ILE A 81 5.102 8.533 -6.944 1.00 61.13 C ATOM 1281 O ILE A 81 3.910 8.768 -7.165 1.00 32.52 O ATOM 1282 CB ILE A 81 5.817 10.821 -7.846 1.00 51.01 C ATOM 1283 CG1 ILE A 81 5.181 11.460 -6.605 1.00 32.45 C ATOM 1284 CG2 ILE A 81 4.885 10.910 -9.047 1.00 31.50 C ATOM 1285 CD1 ILE A 81 6.132 11.591 -5.431 1.00 33.03 C ATOM 0 H ILE A 81 6.441 9.122 -9.637 1.00 10.21 H new ATOM 0 HA ILE A 81 7.050 9.398 -6.836 1.00 22.21 H new ATOM 0 HB ILE A 81 6.719 11.384 -8.086 1.00 51.01 H new ATOM 0 HG12 ILE A 81 4.805 12.449 -6.869 1.00 32.45 H new ATOM 0 HG13 ILE A 81 4.322 10.863 -6.300 1.00 32.45 H new ATOM 0 HG21 ILE A 81 4.607 11.950 -9.215 1.00 31.50 H new ATOM 0 HG22 ILE A 81 5.392 10.523 -9.931 1.00 31.50 H new ATOM 0 HG23 ILE A 81 3.988 10.321 -8.856 1.00 31.50 H new ATOM 0 HD11 ILE A 81 5.612 12.051 -4.591 1.00 33.03 H new ATOM 0 HD12 ILE A 81 6.489 10.603 -5.140 1.00 33.03 H new ATOM 0 HD13 ILE A 81 6.980 12.213 -5.717 1.00 33.03 H new ATOM 1297 N VAL A 82 5.506 7.527 -6.197 1.00 54.33 N ATOM 1298 CA VAL A 82 4.587 6.647 -5.509 1.00 11.20 C ATOM 1299 C VAL A 82 5.246 6.121 -4.247 1.00 51.25 C ATOM 1300 O VAL A 82 6.454 5.890 -4.231 1.00 74.33 O ATOM 1301 CB VAL A 82 4.140 5.469 -6.416 1.00 52.43 C ATOM 1302 CG1 VAL A 82 5.306 4.943 -7.239 1.00 73.31 C ATOM 1303 CG2 VAL A 82 3.522 4.346 -5.593 1.00 31.41 C ATOM 0 H VAL A 82 6.488 7.296 -6.050 1.00 54.33 H new ATOM 0 HA VAL A 82 3.694 7.215 -5.248 1.00 11.20 H new ATOM 0 HB VAL A 82 3.380 5.849 -7.099 1.00 52.43 H new ATOM 0 HG11 VAL A 82 4.966 4.118 -7.866 1.00 73.31 H new ATOM 0 HG12 VAL A 82 5.696 5.742 -7.870 1.00 73.31 H new ATOM 0 HG13 VAL A 82 6.093 4.591 -6.572 1.00 73.31 H new ATOM 0 HG21 VAL A 82 3.218 3.535 -6.255 1.00 31.41 H new ATOM 0 HG22 VAL A 82 4.254 3.975 -4.876 1.00 31.41 H new ATOM 0 HG23 VAL A 82 2.650 4.724 -5.059 1.00 31.41 H new ATOM 1313 N PHE A 83 4.469 5.978 -3.182 1.00 52.44 N ATOM 1314 CA PHE A 83 5.003 5.456 -1.927 1.00 23.53 C ATOM 1315 C PHE A 83 3.986 4.576 -1.202 1.00 1.11 C ATOM 1316 O PHE A 83 2.907 4.275 -1.720 1.00 54.13 O ATOM 1317 CB PHE A 83 5.457 6.592 -1.000 1.00 31.34 C ATOM 1318 CG PHE A 83 6.678 7.326 -1.471 1.00 54.42 C ATOM 1319 CD1 PHE A 83 7.939 6.775 -1.303 1.00 41.14 C ATOM 1320 CD2 PHE A 83 6.566 8.566 -2.081 1.00 54.04 C ATOM 1321 CE1 PHE A 83 9.065 7.448 -1.734 1.00 23.30 C ATOM 1322 CE2 PHE A 83 7.690 9.243 -2.514 1.00 41.21 C ATOM 1323 CZ PHE A 83 8.941 8.683 -2.341 1.00 23.23 C ATOM 0 H PHE A 83 3.477 6.213 -3.159 1.00 52.44 H new ATOM 0 HA PHE A 83 5.867 4.843 -2.184 1.00 23.53 H new ATOM 0 HB2 PHE A 83 4.639 7.304 -0.891 1.00 31.34 H new ATOM 0 HB3 PHE A 83 5.655 6.180 -0.010 1.00 31.34 H new ATOM 0 HD1 PHE A 83 8.042 5.809 -0.830 1.00 41.14 H new ATOM 0 HD2 PHE A 83 5.590 9.007 -2.219 1.00 54.04 H new ATOM 0 HE1 PHE A 83 10.042 7.009 -1.597 1.00 23.30 H new ATOM 0 HE2 PHE A 83 7.591 10.209 -2.987 1.00 41.21 H new ATOM 0 HZ PHE A 83 9.821 9.210 -2.680 1.00 23.23 H new ATOM 1333 N ALA A 84 4.357 4.142 -0.010 1.00 33.24 N ATOM 1334 CA ALA A 84 3.475 3.358 0.831 1.00 52.54 C ATOM 1335 C ALA A 84 3.705 3.709 2.288 1.00 32.32 C ATOM 1336 O ALA A 84 4.833 3.967 2.701 1.00 63.32 O ATOM 1337 CB ALA A 84 3.708 1.879 0.600 1.00 73.45 C ATOM 0 H ALA A 84 5.274 4.323 0.399 1.00 33.24 H new ATOM 0 HA ALA A 84 2.441 3.588 0.573 1.00 52.54 H new ATOM 0 HB1 ALA A 84 3.039 1.301 1.238 1.00 73.45 H new ATOM 0 HB2 ALA A 84 3.511 1.638 -0.445 1.00 73.45 H new ATOM 0 HB3 ALA A 84 4.742 1.632 0.840 1.00 73.45 H new ATOM 1343 N MET A 85 2.643 3.724 3.067 1.00 14.33 N ATOM 1344 CA MET A 85 2.754 4.097 4.465 1.00 4.25 C ATOM 1345 C MET A 85 1.873 3.232 5.350 1.00 62.41 C ATOM 1346 O MET A 85 0.641 3.238 5.238 1.00 51.13 O ATOM 1347 CB MET A 85 2.416 5.567 4.653 1.00 22.42 C ATOM 1348 CG MET A 85 1.293 6.047 3.757 1.00 22.22 C ATOM 1349 SD MET A 85 0.580 7.577 4.349 1.00 60.02 S ATOM 1350 CE MET A 85 -0.223 6.966 5.822 1.00 1.11 C ATOM 0 H MET A 85 1.700 3.485 2.761 1.00 14.33 H new ATOM 0 HA MET A 85 3.788 3.932 4.768 1.00 4.25 H new ATOM 0 HB2 MET A 85 2.139 5.738 5.693 1.00 22.42 H new ATOM 0 HB3 MET A 85 3.307 6.164 4.458 1.00 22.42 H new ATOM 0 HG2 MET A 85 1.671 6.190 2.745 1.00 22.22 H new ATOM 0 HG3 MET A 85 0.519 5.282 3.703 1.00 22.22 H new ATOM 0 HE1 MET A 85 -0.910 7.722 6.202 1.00 1.11 H new ATOM 0 HE2 MET A 85 -0.778 6.058 5.584 1.00 1.11 H new ATOM 0 HE3 MET A 85 0.528 6.744 6.580 1.00 1.11 H new ATOM 1360 N ALA A 86 2.525 2.521 6.250 1.00 34.32 N ATOM 1361 CA ALA A 86 1.866 1.596 7.152 1.00 34.50 C ATOM 1362 C ALA A 86 1.696 2.223 8.538 1.00 33.21 C ATOM 1363 O ALA A 86 1.864 3.448 8.687 1.00 41.41 O ATOM 1364 CB ALA A 86 2.686 0.326 7.223 1.00 2.24 C ATOM 0 H ALA A 86 3.536 2.570 6.377 1.00 34.32 H new ATOM 0 HA ALA A 86 0.869 1.361 6.780 1.00 34.50 H new ATOM 0 HB1 ALA A 86 2.204 -0.381 7.898 1.00 2.24 H new ATOM 0 HB2 ALA A 86 2.761 -0.115 6.229 1.00 2.24 H new ATOM 0 HB3 ALA A 86 3.685 0.558 7.593 1.00 2.24 H new ATOM 1370 N ARG A 87 1.366 1.399 9.547 1.00 72.13 N ATOM 1371 CA ARG A 87 1.129 1.912 10.904 1.00 62.11 C ATOM 1372 C ARG A 87 1.312 0.854 12.003 1.00 3.12 C ATOM 1373 O ARG A 87 1.744 1.184 13.107 1.00 74.21 O ATOM 1374 CB ARG A 87 -0.282 2.493 11.024 1.00 1.44 C ATOM 1375 CG ARG A 87 -1.388 1.481 10.766 1.00 55.13 C ATOM 1376 CD ARG A 87 -2.735 1.993 11.239 1.00 70.41 C ATOM 1377 NE ARG A 87 -2.870 1.930 12.692 1.00 43.31 N ATOM 1378 CZ ARG A 87 -3.842 2.535 13.371 1.00 24.44 C ATOM 1379 NH1 ARG A 87 -4.637 3.410 12.763 1.00 10.00 N ATOM 1380 NH2 ARG A 87 -3.984 2.300 14.668 1.00 15.41 N ATOM 0 H ARG A 87 1.259 0.389 9.450 1.00 72.13 H new ATOM 0 HA ARG A 87 1.882 2.685 11.056 1.00 62.11 H new ATOM 0 HB2 ARG A 87 -0.409 2.909 12.023 1.00 1.44 H new ATOM 0 HB3 ARG A 87 -0.386 3.318 10.319 1.00 1.44 H new ATOM 0 HG2 ARG A 87 -1.437 1.258 9.700 1.00 55.13 H new ATOM 0 HG3 ARG A 87 -1.154 0.547 11.276 1.00 55.13 H new ATOM 0 HD2 ARG A 87 -2.867 3.023 10.908 1.00 70.41 H new ATOM 0 HD3 ARG A 87 -3.528 1.405 10.776 1.00 70.41 H new ATOM 0 HE ARG A 87 -2.180 1.392 13.216 1.00 43.31 H new ATOM 0 HH11 ARG A 87 -4.503 3.619 11.774 1.00 10.00 H new ATOM 0 HH12 ARG A 87 -5.381 3.872 13.286 1.00 10.00 H new ATOM 0 HH21 ARG A 87 -3.350 1.657 15.142 1.00 15.41 H new ATOM 0 HH22 ARG A 87 -4.728 2.762 15.192 1.00 15.41 H new ATOM 1394 N VAL A 88 0.985 -0.405 11.724 1.00 1.54 N ATOM 1395 CA VAL A 88 0.890 -1.405 12.785 1.00 42.23 C ATOM 1396 C VAL A 88 2.259 -2.007 13.104 1.00 22.32 C ATOM 1397 O VAL A 88 3.176 -1.982 12.282 1.00 5.03 O ATOM 1398 CB VAL A 88 -0.138 -2.523 12.438 1.00 2.51 C ATOM 1399 CG1 VAL A 88 0.451 -3.570 11.508 1.00 4.31 C ATOM 1400 CG2 VAL A 88 -0.685 -3.178 13.699 1.00 32.41 C ATOM 0 H VAL A 88 0.784 -0.754 10.787 1.00 1.54 H new ATOM 0 HA VAL A 88 0.528 -0.891 13.676 1.00 42.23 H new ATOM 0 HB VAL A 88 -0.963 -2.042 11.912 1.00 2.51 H new ATOM 0 HG11 VAL A 88 -0.301 -4.330 11.293 1.00 4.31 H new ATOM 0 HG12 VAL A 88 0.764 -3.096 10.578 1.00 4.31 H new ATOM 0 HG13 VAL A 88 1.313 -4.037 11.985 1.00 4.31 H new ATOM 0 HG21 VAL A 88 -1.400 -3.954 13.425 1.00 32.41 H new ATOM 0 HG22 VAL A 88 0.135 -3.623 14.263 1.00 32.41 H new ATOM 0 HG23 VAL A 88 -1.182 -2.427 14.313 1.00 32.41 H new ATOM 1410 N LYS A 89 2.386 -2.551 14.311 1.00 3.52 N ATOM 1411 CA LYS A 89 3.651 -3.089 14.813 1.00 43.14 C ATOM 1412 C LYS A 89 4.100 -4.354 14.066 1.00 20.54 C ATOM 1413 O LYS A 89 5.164 -4.899 14.347 1.00 42.22 O ATOM 1414 CB LYS A 89 3.517 -3.385 16.306 1.00 25.14 C ATOM 1415 CG LYS A 89 2.357 -4.309 16.631 1.00 74.43 C ATOM 1416 CD LYS A 89 2.117 -4.402 18.124 1.00 10.43 C ATOM 1417 CE LYS A 89 0.928 -5.292 18.433 1.00 70.24 C ATOM 1418 NZ LYS A 89 0.651 -5.357 19.889 1.00 52.42 N ATOM 0 H LYS A 89 1.613 -2.632 14.972 1.00 3.52 H new ATOM 0 HA LYS A 89 4.418 -2.334 14.641 1.00 43.14 H new ATOM 0 HB2 LYS A 89 4.443 -3.835 16.665 1.00 25.14 H new ATOM 0 HB3 LYS A 89 3.388 -2.447 16.846 1.00 25.14 H new ATOM 0 HG2 LYS A 89 1.454 -3.947 16.139 1.00 74.43 H new ATOM 0 HG3 LYS A 89 2.560 -5.303 16.232 1.00 74.43 H new ATOM 0 HD2 LYS A 89 3.007 -4.796 18.614 1.00 10.43 H new ATOM 0 HD3 LYS A 89 1.944 -3.405 18.530 1.00 10.43 H new ATOM 0 HE2 LYS A 89 0.048 -4.916 17.912 1.00 70.24 H new ATOM 0 HE3 LYS A 89 1.118 -6.296 18.054 1.00 70.24 H new ATOM 0 HZ1 LYS A 89 -0.168 -5.975 20.059 1.00 52.42 H new ATOM 0 HZ2 LYS A 89 1.482 -5.740 20.384 1.00 52.42 H new ATOM 0 HZ3 LYS A 89 0.445 -4.402 20.246 1.00 52.42 H new ATOM 1432 N GLN A 90 3.296 -4.821 13.124 1.00 53.32 N ATOM 1433 CA GLN A 90 3.674 -5.977 12.318 1.00 45.34 C ATOM 1434 C GLN A 90 4.155 -5.511 10.947 1.00 32.02 C ATOM 1435 O GLN A 90 4.964 -6.182 10.286 1.00 53.24 O ATOM 1436 CB GLN A 90 2.490 -6.936 12.173 1.00 62.13 C ATOM 1437 CG GLN A 90 2.892 -8.342 11.756 1.00 72.23 C ATOM 1438 CD GLN A 90 1.705 -9.279 11.638 1.00 2.34 C ATOM 1439 OE1 GLN A 90 0.565 -8.746 11.217 1.00 20.13 O flip ATOM 1440 NE2 GLN A 90 1.813 -10.474 11.912 1.00 63.31 N flip ATOM 0 H GLN A 90 2.384 -4.423 12.898 1.00 53.32 H new ATOM 0 HA GLN A 90 4.484 -6.509 12.816 1.00 45.34 H new ATOM 0 HB2 GLN A 90 1.956 -6.986 13.122 1.00 62.13 H new ATOM 0 HB3 GLN A 90 1.795 -6.533 11.437 1.00 62.13 H new ATOM 0 HG2 GLN A 90 3.412 -8.298 10.799 1.00 72.23 H new ATOM 0 HG3 GLN A 90 3.597 -8.745 12.483 1.00 72.23 H new ATOM 0 HE21 GLN A 90 2.707 -10.845 12.233 1.00 63.31 H new ATOM 0 HE22 GLN A 90 1.008 -11.093 11.818 1.00 63.31 H new ATOM 1449 N ASP A 91 3.676 -4.331 10.555 1.00 43.55 N ATOM 1450 CA ASP A 91 3.991 -3.752 9.257 1.00 41.31 C ATOM 1451 C ASP A 91 5.493 -3.667 9.058 1.00 13.03 C ATOM 1452 O ASP A 91 6.039 -4.353 8.206 1.00 22.03 O ATOM 1453 CB ASP A 91 3.379 -2.353 9.105 1.00 70.53 C ATOM 1454 CG ASP A 91 1.870 -2.361 8.906 1.00 11.45 C ATOM 1455 OD1 ASP A 91 1.345 -3.342 8.358 1.00 0.15 O ATOM 1456 OD2 ASP A 91 1.210 -1.363 9.296 1.00 2.24 O ATOM 0 H ASP A 91 3.061 -3.754 11.129 1.00 43.55 H new ATOM 0 HA ASP A 91 3.561 -4.406 8.498 1.00 41.31 H new ATOM 0 HB2 ASP A 91 3.616 -1.765 9.991 1.00 70.53 H new ATOM 0 HB3 ASP A 91 3.845 -1.853 8.256 1.00 70.53 H new ATOM 1461 N LEU A 92 6.164 -2.851 9.871 1.00 12.45 N ATOM 1462 CA LEU A 92 7.603 -2.627 9.720 1.00 62.40 C ATOM 1463 C LEU A 92 8.383 -3.937 9.678 1.00 2.12 C ATOM 1464 O LEU A 92 9.356 -4.056 8.938 1.00 43.13 O ATOM 1465 CB LEU A 92 8.171 -1.665 10.803 1.00 32.24 C ATOM 1466 CG LEU A 92 8.110 -2.075 12.300 1.00 15.35 C ATOM 1467 CD1 LEU A 92 6.723 -2.533 12.719 1.00 0.23 C ATOM 1468 CD2 LEU A 92 9.159 -3.125 12.647 1.00 75.22 C ATOM 0 H LEU A 92 5.736 -2.335 10.640 1.00 12.45 H new ATOM 0 HA LEU A 92 7.736 -2.135 8.756 1.00 62.40 H new ATOM 0 HB2 LEU A 92 9.217 -1.479 10.558 1.00 32.24 H new ATOM 0 HB3 LEU A 92 7.646 -0.715 10.703 1.00 32.24 H new ATOM 0 HG LEU A 92 8.340 -1.175 12.870 1.00 15.35 H new ATOM 0 HD11 LEU A 92 6.734 -2.808 13.774 1.00 0.23 H new ATOM 0 HD12 LEU A 92 6.010 -1.724 12.563 1.00 0.23 H new ATOM 0 HD13 LEU A 92 6.429 -3.396 12.122 1.00 0.23 H new ATOM 0 HD21 LEU A 92 9.081 -3.382 13.703 1.00 75.22 H new ATOM 0 HD22 LEU A 92 8.994 -4.017 12.043 1.00 75.22 H new ATOM 0 HD23 LEU A 92 10.153 -2.727 12.443 1.00 75.22 H new ATOM 1480 N ARG A 93 7.922 -4.926 10.436 1.00 71.43 N ATOM 1481 CA ARG A 93 8.585 -6.221 10.490 1.00 61.33 C ATOM 1482 C ARG A 93 8.696 -6.834 9.102 1.00 60.10 C ATOM 1483 O ARG A 93 9.794 -6.979 8.559 1.00 51.22 O ATOM 1484 CB ARG A 93 7.834 -7.175 11.419 1.00 54.01 C ATOM 1485 CG ARG A 93 8.105 -6.938 12.896 1.00 14.44 C ATOM 1486 CD ARG A 93 7.215 -7.809 13.769 1.00 14.32 C ATOM 1487 NE ARG A 93 7.716 -7.908 15.137 1.00 54.00 N ATOM 1488 CZ ARG A 93 7.020 -7.571 16.223 1.00 4.24 C ATOM 1489 NH1 ARG A 93 5.808 -7.045 16.109 1.00 44.25 N ATOM 1490 NH2 ARG A 93 7.542 -7.753 17.427 1.00 73.33 N ATOM 0 H ARG A 93 7.090 -4.854 11.022 1.00 71.43 H new ATOM 0 HA ARG A 93 9.589 -6.063 10.883 1.00 61.33 H new ATOM 0 HB2 ARG A 93 6.764 -7.077 11.236 1.00 54.01 H new ATOM 0 HB3 ARG A 93 8.108 -8.200 11.169 1.00 54.01 H new ATOM 0 HG2 ARG A 93 9.152 -7.150 13.114 1.00 14.44 H new ATOM 0 HG3 ARG A 93 7.936 -5.888 13.135 1.00 14.44 H new ATOM 0 HD2 ARG A 93 6.206 -7.397 13.782 1.00 14.32 H new ATOM 0 HD3 ARG A 93 7.147 -8.807 13.335 1.00 14.32 H new ATOM 0 HE ARG A 93 8.664 -8.259 15.271 1.00 54.00 H new ATOM 0 HH11 ARG A 93 5.402 -6.896 15.185 1.00 44.25 H new ATOM 0 HH12 ARG A 93 5.282 -6.790 16.945 1.00 44.25 H new ATOM 0 HH21 ARG A 93 8.476 -8.151 17.523 1.00 73.33 H new ATOM 0 HH22 ARG A 93 7.010 -7.495 18.258 1.00 73.33 H new ATOM 1504 N GLU A 94 7.565 -7.157 8.502 1.00 62.12 N ATOM 1505 CA GLU A 94 7.603 -7.891 7.250 1.00 34.30 C ATOM 1506 C GLU A 94 7.501 -6.988 6.020 1.00 32.31 C ATOM 1507 O GLU A 94 7.701 -7.450 4.901 1.00 75.25 O ATOM 1508 CB GLU A 94 6.564 -9.015 7.235 1.00 24.12 C ATOM 1509 CG GLU A 94 5.241 -8.680 7.899 1.00 4.13 C ATOM 1510 CD GLU A 94 4.469 -9.931 8.262 1.00 11.03 C ATOM 1511 OE1 GLU A 94 3.931 -10.588 7.347 1.00 21.12 O ATOM 1512 OE2 GLU A 94 4.425 -10.279 9.462 1.00 73.21 O ATOM 0 H GLU A 94 6.633 -6.931 8.849 1.00 62.12 H new ATOM 0 HA GLU A 94 8.588 -8.353 7.188 1.00 34.30 H new ATOM 0 HB2 GLU A 94 6.372 -9.297 6.200 1.00 24.12 H new ATOM 0 HB3 GLU A 94 6.990 -9.888 7.729 1.00 24.12 H new ATOM 0 HG2 GLU A 94 5.423 -8.090 8.797 1.00 4.13 H new ATOM 0 HG3 GLU A 94 4.642 -8.064 7.229 1.00 4.13 H new ATOM 1519 N SER A 95 7.232 -5.700 6.219 1.00 62.30 N ATOM 1520 CA SER A 95 7.299 -4.741 5.116 1.00 54.41 C ATOM 1521 C SER A 95 8.754 -4.479 4.767 1.00 35.32 C ATOM 1522 O SER A 95 9.113 -4.289 3.606 1.00 51.12 O ATOM 1523 CB SER A 95 6.605 -3.423 5.471 1.00 33.35 C ATOM 1524 OG SER A 95 5.232 -3.624 5.754 1.00 2.31 O ATOM 0 H SER A 95 6.969 -5.299 7.119 1.00 62.30 H new ATOM 0 HA SER A 95 6.779 -5.169 4.259 1.00 54.41 H new ATOM 0 HB2 SER A 95 7.094 -2.973 6.335 1.00 33.35 H new ATOM 0 HB3 SER A 95 6.709 -2.721 4.644 1.00 33.35 H new ATOM 0 HG SER A 95 5.140 -4.109 6.600 1.00 2.31 H new ATOM 1530 N LEU A 96 9.593 -4.476 5.791 1.00 52.10 N ATOM 1531 CA LEU A 96 11.023 -4.342 5.598 1.00 12.31 C ATOM 1532 C LEU A 96 11.607 -5.667 5.118 1.00 64.21 C ATOM 1533 O LEU A 96 12.470 -5.695 4.240 1.00 4.51 O ATOM 1534 CB LEU A 96 11.681 -3.900 6.903 1.00 43.24 C ATOM 1535 CG LEU A 96 11.760 -2.379 7.135 1.00 72.52 C ATOM 1536 CD1 LEU A 96 12.680 -1.734 6.116 1.00 45.41 C ATOM 1537 CD2 LEU A 96 10.382 -1.726 7.079 1.00 3.51 C ATOM 0 H LEU A 96 9.305 -4.565 6.765 1.00 52.10 H new ATOM 0 HA LEU A 96 11.218 -3.585 4.839 1.00 12.31 H new ATOM 0 HB2 LEU A 96 11.133 -4.347 7.733 1.00 43.24 H new ATOM 0 HB3 LEU A 96 12.692 -4.306 6.933 1.00 43.24 H new ATOM 0 HG LEU A 96 12.165 -2.223 8.135 1.00 72.52 H new ATOM 0 HD11 LEU A 96 12.724 -0.660 6.294 1.00 45.41 H new ATOM 0 HD12 LEU A 96 13.680 -2.159 6.208 1.00 45.41 H new ATOM 0 HD13 LEU A 96 12.298 -1.920 5.112 1.00 45.41 H new ATOM 0 HD21 LEU A 96 10.480 -0.654 7.247 1.00 3.51 H new ATOM 0 HD22 LEU A 96 9.936 -1.900 6.100 1.00 3.51 H new ATOM 0 HD23 LEU A 96 9.743 -2.157 7.850 1.00 3.51 H new ATOM 1549 N ARG A 97 11.105 -6.758 5.694 1.00 12.12 N ATOM 1550 CA ARG A 97 11.531 -8.105 5.326 1.00 72.14 C ATOM 1551 C ARG A 97 11.235 -8.433 3.866 1.00 13.01 C ATOM 1552 O ARG A 97 12.104 -8.926 3.151 1.00 12.33 O ATOM 1553 CB ARG A 97 10.850 -9.136 6.227 1.00 24.11 C ATOM 1554 CG ARG A 97 11.590 -9.403 7.523 1.00 62.32 C ATOM 1555 CD ARG A 97 12.853 -10.205 7.275 1.00 44.43 C ATOM 1556 NE ARG A 97 13.521 -10.586 8.517 1.00 15.32 N ATOM 1557 CZ ARG A 97 13.313 -11.743 9.145 1.00 33.24 C ATOM 1558 NH1 ARG A 97 12.401 -12.598 8.688 1.00 52.34 N ATOM 1559 NH2 ARG A 97 13.998 -12.041 10.243 1.00 0.43 N ATOM 0 H ARG A 97 10.395 -6.733 6.426 1.00 12.12 H new ATOM 0 HA ARG A 97 12.612 -8.144 5.461 1.00 72.14 H new ATOM 0 HB2 ARG A 97 9.842 -8.792 6.460 1.00 24.11 H new ATOM 0 HB3 ARG A 97 10.748 -10.072 5.679 1.00 24.11 H new ATOM 0 HG2 ARG A 97 11.844 -8.457 8.002 1.00 62.32 H new ATOM 0 HG3 ARG A 97 10.941 -9.944 8.211 1.00 62.32 H new ATOM 0 HD2 ARG A 97 12.605 -11.103 6.708 1.00 44.43 H new ATOM 0 HD3 ARG A 97 13.538 -9.620 6.662 1.00 44.43 H new ATOM 0 HE ARG A 97 14.185 -9.929 8.927 1.00 15.32 H new ATOM 0 HH11 ARG A 97 11.859 -12.369 7.855 1.00 52.34 H new ATOM 0 HH12 ARG A 97 12.244 -13.483 9.171 1.00 52.34 H new ATOM 0 HH21 ARG A 97 14.686 -11.383 10.609 1.00 0.43 H new ATOM 0 HH22 ARG A 97 13.836 -12.928 10.720 1.00 0.43 H new ATOM 1573 N ALA A 98 10.011 -8.166 3.430 1.00 65.04 N ATOM 1574 CA ALA A 98 9.575 -8.560 2.095 1.00 52.13 C ATOM 1575 C ALA A 98 10.297 -7.784 1.000 1.00 42.12 C ATOM 1576 O ALA A 98 10.738 -8.371 0.009 1.00 21.53 O ATOM 1577 CB ALA A 98 8.076 -8.387 1.957 1.00 43.04 C ATOM 0 H ALA A 98 9.303 -7.679 3.979 1.00 65.04 H new ATOM 0 HA ALA A 98 9.830 -9.612 1.971 1.00 52.13 H new ATOM 0 HB1 ALA A 98 7.766 -8.685 0.955 1.00 43.04 H new ATOM 0 HB2 ALA A 98 7.569 -9.009 2.694 1.00 43.04 H new ATOM 0 HB3 ALA A 98 7.814 -7.342 2.122 1.00 43.04 H new ATOM 1583 N ALA A 99 10.411 -6.470 1.183 1.00 43.32 N ATOM 1584 CA ALA A 99 11.042 -5.599 0.193 1.00 62.34 C ATOM 1585 C ALA A 99 12.450 -6.077 -0.157 1.00 1.04 C ATOM 1586 O ALA A 99 12.788 -6.215 -1.333 1.00 51.21 O ATOM 1587 CB ALA A 99 11.078 -4.165 0.694 1.00 14.02 C ATOM 0 H ALA A 99 10.072 -5.983 2.013 1.00 43.32 H new ATOM 0 HA ALA A 99 10.442 -5.640 -0.716 1.00 62.34 H new ATOM 0 HB1 ALA A 99 11.551 -3.530 -0.055 1.00 14.02 H new ATOM 0 HB2 ALA A 99 10.061 -3.817 0.875 1.00 14.02 H new ATOM 0 HB3 ALA A 99 11.648 -4.118 1.622 1.00 14.02 H new ATOM 1593 N SER A 100 13.258 -6.320 0.878 1.00 72.31 N ATOM 1594 CA SER A 100 14.617 -6.848 0.724 1.00 41.14 C ATOM 1595 C SER A 100 15.572 -5.838 0.072 1.00 15.53 C ATOM 1596 O SER A 100 16.475 -5.318 0.730 1.00 60.52 O ATOM 1597 CB SER A 100 14.595 -8.157 -0.077 1.00 71.34 C ATOM 1598 OG SER A 100 13.722 -9.103 0.521 1.00 34.01 O ATOM 0 H SER A 100 12.988 -6.156 1.848 1.00 72.31 H new ATOM 0 HA SER A 100 14.997 -7.045 1.726 1.00 41.14 H new ATOM 0 HB2 SER A 100 14.275 -7.957 -1.100 1.00 71.34 H new ATOM 0 HB3 SER A 100 15.602 -8.570 -0.133 1.00 71.34 H new ATOM 0 HG SER A 100 12.793 -8.856 0.332 1.00 34.01 H new ATOM 1604 N LEU A 101 15.358 -5.540 -1.206 1.00 24.31 N ATOM 1605 CA LEU A 101 16.279 -4.708 -1.976 1.00 31.25 C ATOM 1606 C LEU A 101 16.070 -3.215 -1.706 1.00 21.51 C ATOM 1607 O LEU A 101 15.711 -2.431 -2.595 1.00 43.34 O ATOM 1608 CB LEU A 101 16.179 -5.026 -3.477 1.00 25.35 C ATOM 1609 CG LEU A 101 14.806 -5.495 -3.982 1.00 32.30 C ATOM 1610 CD1 LEU A 101 13.780 -4.373 -3.935 1.00 0.52 C ATOM 1611 CD2 LEU A 101 14.920 -6.050 -5.392 1.00 54.21 C ATOM 0 H LEU A 101 14.548 -5.865 -1.734 1.00 24.31 H new ATOM 0 HA LEU A 101 17.289 -4.949 -1.645 1.00 31.25 H new ATOM 0 HB2 LEU A 101 16.463 -4.134 -4.036 1.00 25.35 H new ATOM 0 HB3 LEU A 101 16.912 -5.797 -3.713 1.00 25.35 H new ATOM 0 HG LEU A 101 14.462 -6.288 -3.317 1.00 32.30 H new ATOM 0 HD11 LEU A 101 12.821 -4.741 -4.299 1.00 0.52 H new ATOM 0 HD12 LEU A 101 13.668 -4.025 -2.908 1.00 0.52 H new ATOM 0 HD13 LEU A 101 14.114 -3.548 -4.564 1.00 0.52 H new ATOM 0 HD21 LEU A 101 13.938 -6.378 -5.734 1.00 54.21 H new ATOM 0 HD22 LEU A 101 15.297 -5.275 -6.059 1.00 54.21 H new ATOM 0 HD23 LEU A 101 15.607 -6.896 -5.395 1.00 54.21 H new ATOM 1623 N LEU A 102 16.331 -2.825 -0.469 1.00 41.15 N ATOM 1624 CA LEU A 102 16.205 -1.436 -0.052 1.00 35.40 C ATOM 1625 C LEU A 102 17.311 -0.598 -0.675 1.00 53.43 C ATOM 1626 O LEU A 102 17.255 0.627 -0.681 1.00 44.41 O ATOM 1627 CB LEU A 102 16.264 -1.331 1.473 1.00 12.05 C ATOM 1628 CG LEU A 102 15.299 -2.250 2.219 1.00 12.00 C ATOM 1629 CD1 LEU A 102 15.387 -2.007 3.715 1.00 23.22 C ATOM 1630 CD2 LEU A 102 13.875 -2.050 1.726 1.00 21.30 C ATOM 0 H LEU A 102 16.635 -3.457 0.271 1.00 41.15 H new ATOM 0 HA LEU A 102 15.241 -1.058 -0.392 1.00 35.40 H new ATOM 0 HB2 LEU A 102 17.280 -1.554 1.799 1.00 12.05 H new ATOM 0 HB3 LEU A 102 16.056 -0.300 1.760 1.00 12.05 H new ATOM 0 HG LEU A 102 15.584 -3.283 2.019 1.00 12.00 H new ATOM 0 HD11 LEU A 102 14.693 -2.669 4.233 1.00 23.22 H new ATOM 0 HD12 LEU A 102 16.403 -2.206 4.057 1.00 23.22 H new ATOM 0 HD13 LEU A 102 15.128 -0.970 3.931 1.00 23.22 H new ATOM 0 HD21 LEU A 102 13.205 -2.715 2.271 1.00 21.30 H new ATOM 0 HD22 LEU A 102 13.574 -1.015 1.892 1.00 21.30 H new ATOM 0 HD23 LEU A 102 13.824 -2.276 0.661 1.00 21.30 H new ATOM 1642 N ASP A 103 18.306 -1.285 -1.219 1.00 41.33 N ATOM 1643 CA ASP A 103 19.446 -0.644 -1.857 1.00 1.24 C ATOM 1644 C ASP A 103 19.043 0.033 -3.165 1.00 64.52 C ATOM 1645 O ASP A 103 19.814 0.806 -3.733 1.00 71.42 O ATOM 1646 CB ASP A 103 20.540 -1.681 -2.127 1.00 43.32 C ATOM 1647 CG ASP A 103 21.136 -2.242 -0.854 1.00 31.33 C ATOM 1648 OD1 ASP A 103 20.589 -3.236 -0.330 1.00 42.33 O ATOM 1649 OD2 ASP A 103 22.150 -1.693 -0.372 1.00 32.54 O ATOM 0 H ASP A 103 18.345 -2.304 -1.230 1.00 41.33 H new ATOM 0 HA ASP A 103 19.825 0.123 -1.181 1.00 1.24 H new ATOM 0 HB2 ASP A 103 20.125 -2.496 -2.720 1.00 43.32 H new ATOM 0 HB3 ASP A 103 21.330 -1.224 -2.723 1.00 43.32 H new ATOM 1654 N LYS A 104 17.838 -0.258 -3.641 1.00 24.34 N ATOM 1655 CA LYS A 104 17.365 0.324 -4.888 1.00 52.13 C ATOM 1656 C LYS A 104 16.048 1.070 -4.697 1.00 21.44 C ATOM 1657 O LYS A 104 15.903 2.193 -5.181 1.00 32.34 O ATOM 1658 CB LYS A 104 17.230 -0.755 -5.964 1.00 13.22 C ATOM 1659 CG LYS A 104 16.315 -1.900 -5.581 1.00 33.33 C ATOM 1660 CD LYS A 104 16.517 -3.107 -6.477 1.00 51.22 C ATOM 1661 CE LYS A 104 17.940 -3.632 -6.388 1.00 33.32 C ATOM 1662 NZ LYS A 104 18.790 -3.144 -7.507 1.00 23.31 N ATOM 0 H LYS A 104 17.177 -0.888 -3.186 1.00 24.34 H new ATOM 0 HA LYS A 104 18.106 1.053 -5.218 1.00 52.13 H new ATOM 0 HB2 LYS A 104 16.856 -0.296 -6.879 1.00 13.22 H new ATOM 0 HB3 LYS A 104 18.219 -1.154 -6.189 1.00 13.22 H new ATOM 0 HG2 LYS A 104 16.500 -2.182 -4.544 1.00 33.33 H new ATOM 0 HG3 LYS A 104 15.277 -1.572 -5.642 1.00 33.33 H new ATOM 0 HD2 LYS A 104 15.819 -3.894 -6.192 1.00 51.22 H new ATOM 0 HD3 LYS A 104 16.291 -2.838 -7.509 1.00 51.22 H new ATOM 0 HE2 LYS A 104 18.380 -3.325 -5.439 1.00 33.32 H new ATOM 0 HE3 LYS A 104 17.924 -4.722 -6.394 1.00 33.32 H new ATOM 0 HZ1 LYS A 104 19.010 -3.934 -8.146 1.00 23.31 H new ATOM 0 HZ2 LYS A 104 18.281 -2.405 -8.033 1.00 23.31 H new ATOM 0 HZ3 LYS A 104 19.674 -2.751 -7.126 1.00 23.31 H new ATOM 1676 N ILE A 105 15.091 0.466 -3.986 1.00 75.12 N ATOM 1677 CA ILE A 105 13.818 1.144 -3.736 1.00 22.03 C ATOM 1678 C ILE A 105 14.005 2.247 -2.702 1.00 40.44 C ATOM 1679 O ILE A 105 13.222 3.196 -2.634 1.00 4.32 O ATOM 1680 CB ILE A 105 12.690 0.162 -3.308 1.00 44.35 C ATOM 1681 CG1 ILE A 105 13.120 -0.737 -2.148 1.00 61.53 C ATOM 1682 CG2 ILE A 105 12.255 -0.684 -4.492 1.00 1.32 C ATOM 1683 CD1 ILE A 105 12.933 -0.108 -0.789 1.00 44.20 C ATOM 0 H ILE A 105 15.170 -0.468 -3.583 1.00 75.12 H new ATOM 0 HA ILE A 105 13.497 1.589 -4.678 1.00 22.03 H new ATOM 0 HB ILE A 105 11.849 0.762 -2.962 1.00 44.35 H new ATOM 0 HG12 ILE A 105 12.551 -1.666 -2.190 1.00 61.53 H new ATOM 0 HG13 ILE A 105 14.170 -1.001 -2.275 1.00 61.53 H new ATOM 0 HG21 ILE A 105 11.465 -1.367 -4.180 1.00 1.32 H new ATOM 0 HG22 ILE A 105 11.882 -0.036 -5.285 1.00 1.32 H new ATOM 0 HG23 ILE A 105 13.105 -1.257 -4.862 1.00 1.32 H new ATOM 0 HD11 ILE A 105 13.260 -0.805 -0.017 1.00 44.20 H new ATOM 0 HD12 ILE A 105 13.524 0.806 -0.726 1.00 44.20 H new ATOM 0 HD13 ILE A 105 11.880 0.130 -0.640 1.00 44.20 H new ATOM 1695 N GLY A 106 15.077 2.123 -1.924 1.00 12.34 N ATOM 1696 CA GLY A 106 15.406 3.123 -0.933 1.00 73.00 C ATOM 1697 C GLY A 106 14.373 3.223 0.165 1.00 74.31 C ATOM 1698 O GLY A 106 14.242 2.319 0.989 1.00 71.32 O ATOM 0 H GLY A 106 15.727 1.338 -1.966 1.00 12.34 H new ATOM 0 HA2 GLY A 106 16.375 2.887 -0.493 1.00 73.00 H new ATOM 0 HA3 GLY A 106 15.505 4.092 -1.421 1.00 73.00 H new ATOM 1702 N GLU A 107 13.642 4.327 0.167 1.00 10.43 N ATOM 1703 CA GLU A 107 12.618 4.568 1.166 1.00 35.44 C ATOM 1704 C GLU A 107 11.425 3.654 0.915 1.00 21.35 C ATOM 1705 O GLU A 107 11.247 2.663 1.626 1.00 23.44 O ATOM 1706 CB GLU A 107 12.184 6.042 1.156 1.00 71.34 C ATOM 1707 CG GLU A 107 13.299 7.028 1.504 1.00 43.23 C ATOM 1708 CD GLU A 107 14.337 7.180 0.404 1.00 31.20 C ATOM 1709 OE1 GLU A 107 14.105 7.970 -0.535 1.00 45.30 O ATOM 1710 OE2 GLU A 107 15.397 6.525 0.474 1.00 42.13 O ATOM 0 H GLU A 107 13.742 5.075 -0.519 1.00 10.43 H new ATOM 0 HA GLU A 107 13.030 4.347 2.151 1.00 35.44 H new ATOM 0 HB2 GLU A 107 11.793 6.287 0.168 1.00 71.34 H new ATOM 0 HB3 GLU A 107 11.365 6.172 1.864 1.00 71.34 H new ATOM 0 HG2 GLU A 107 12.859 8.003 1.715 1.00 43.23 H new ATOM 0 HG3 GLU A 107 13.794 6.697 2.417 1.00 43.23 H new ATOM 1717 N ASP A 108 10.628 3.992 -0.109 1.00 2.02 N ATOM 1718 CA ASP A 108 9.498 3.161 -0.555 1.00 33.51 C ATOM 1719 C ASP A 108 8.374 3.104 0.485 1.00 24.45 C ATOM 1720 O ASP A 108 7.275 3.612 0.261 1.00 22.13 O ATOM 1721 CB ASP A 108 9.995 1.745 -0.902 1.00 45.24 C ATOM 1722 CG ASP A 108 8.876 0.746 -1.158 1.00 5.44 C ATOM 1723 OD1 ASP A 108 8.311 0.229 -0.179 1.00 34.22 O ATOM 1724 OD2 ASP A 108 8.588 0.447 -2.336 1.00 44.22 O ATOM 0 H ASP A 108 10.748 4.848 -0.651 1.00 2.02 H new ATOM 0 HA ASP A 108 9.077 3.623 -1.448 1.00 33.51 H new ATOM 0 HB2 ASP A 108 10.630 1.800 -1.786 1.00 45.24 H new ATOM 0 HB3 ASP A 108 10.617 1.378 -0.085 1.00 45.24 H new ATOM 1729 N HIS A 109 8.674 2.520 1.630 1.00 33.44 N ATOM 1730 CA HIS A 109 7.672 2.235 2.643 1.00 74.15 C ATOM 1731 C HIS A 109 7.993 2.933 3.964 1.00 72.35 C ATOM 1732 O HIS A 109 9.078 2.768 4.525 1.00 70.53 O ATOM 1733 CB HIS A 109 7.550 0.716 2.841 1.00 61.12 C ATOM 1734 CG HIS A 109 8.867 -0.008 2.891 1.00 13.12 C ATOM 1735 ND1 HIS A 109 9.934 0.404 3.659 1.00 53.02 N ATOM 1736 CD2 HIS A 109 9.290 -1.114 2.233 1.00 72.22 C ATOM 1737 CE1 HIS A 109 10.954 -0.408 3.468 1.00 20.21 C ATOM 1738 NE2 HIS A 109 10.592 -1.340 2.607 1.00 74.25 N ATOM 0 H HIS A 109 9.618 2.230 1.885 1.00 33.44 H new ATOM 0 HA HIS A 109 6.715 2.626 2.298 1.00 74.15 H new ATOM 0 HB2 HIS A 109 7.008 0.524 3.767 1.00 61.12 H new ATOM 0 HB3 HIS A 109 6.952 0.302 2.029 1.00 61.12 H new ATOM 0 HD1 HIS A 109 9.934 1.213 4.280 1.00 53.02 H new ATOM 0 HD2 HIS A 109 8.710 -1.708 1.542 1.00 72.22 H new ATOM 0 HE1 HIS A 109 11.923 -0.325 3.937 1.00 20.21 H new ATOM 1747 N ILE A 110 7.041 3.714 4.451 1.00 34.11 N ATOM 1748 CA ILE A 110 7.205 4.474 5.688 1.00 51.35 C ATOM 1749 C ILE A 110 5.941 4.371 6.547 1.00 33.33 C ATOM 1750 O ILE A 110 5.077 3.538 6.282 1.00 44.33 O ATOM 1751 CB ILE A 110 7.537 5.965 5.419 1.00 33.31 C ATOM 1752 CG1 ILE A 110 6.624 6.547 4.329 1.00 14.05 C ATOM 1753 CG2 ILE A 110 9.008 6.138 5.052 1.00 3.00 C ATOM 1754 CD1 ILE A 110 7.081 6.284 2.904 1.00 41.15 C ATOM 0 H ILE A 110 6.133 3.841 4.003 1.00 34.11 H new ATOM 0 HA ILE A 110 8.048 4.038 6.223 1.00 51.35 H new ATOM 0 HB ILE A 110 7.353 6.520 6.339 1.00 33.31 H new ATOM 0 HG12 ILE A 110 5.623 6.135 4.456 1.00 14.05 H new ATOM 0 HG13 ILE A 110 6.547 7.624 4.477 1.00 14.05 H new ATOM 0 HG21 ILE A 110 9.216 7.192 4.868 1.00 3.00 H new ATOM 0 HG22 ILE A 110 9.632 5.783 5.872 1.00 3.00 H new ATOM 0 HG23 ILE A 110 9.229 5.563 4.153 1.00 3.00 H new ATOM 0 HD11 ILE A 110 6.374 6.733 2.206 1.00 41.15 H new ATOM 0 HD12 ILE A 110 8.068 6.721 2.752 1.00 41.15 H new ATOM 0 HD13 ILE A 110 7.130 5.209 2.730 1.00 41.15 H new ATOM 1766 N PHE A 111 5.830 5.209 7.577 1.00 21.53 N ATOM 1767 CA PHE A 111 4.708 5.126 8.510 1.00 1.10 C ATOM 1768 C PHE A 111 4.023 6.475 8.701 1.00 33.12 C ATOM 1769 O PHE A 111 4.661 7.445 9.117 1.00 11.43 O ATOM 1770 CB PHE A 111 5.182 4.602 9.870 1.00 54.35 C ATOM 1771 CG PHE A 111 5.430 3.124 9.893 1.00 24.44 C ATOM 1772 CD1 PHE A 111 6.553 2.584 9.293 1.00 15.44 C ATOM 1773 CD2 PHE A 111 4.528 2.274 10.508 1.00 64.41 C ATOM 1774 CE1 PHE A 111 6.771 1.224 9.306 1.00 32.31 C ATOM 1775 CE2 PHE A 111 4.741 0.911 10.525 1.00 61.45 C ATOM 1776 CZ PHE A 111 5.864 0.387 9.922 1.00 24.45 C ATOM 0 H PHE A 111 6.500 5.949 7.786 1.00 21.53 H new ATOM 0 HA PHE A 111 3.984 4.435 8.078 1.00 1.10 H new ATOM 0 HB2 PHE A 111 6.100 5.120 10.149 1.00 54.35 H new ATOM 0 HB3 PHE A 111 4.435 4.848 10.625 1.00 54.35 H new ATOM 0 HD1 PHE A 111 7.266 3.235 8.809 1.00 15.44 H new ATOM 0 HD2 PHE A 111 3.647 2.682 10.980 1.00 64.41 H new ATOM 0 HE1 PHE A 111 7.651 0.813 8.834 1.00 32.31 H new ATOM 0 HE2 PHE A 111 4.030 0.257 11.009 1.00 61.45 H new ATOM 0 HZ PHE A 111 6.034 -0.679 9.932 1.00 24.45 H new ATOM 1786 N MET A 112 2.718 6.516 8.403 1.00 23.41 N ATOM 1787 CA MET A 112 1.890 7.722 8.612 1.00 55.03 C ATOM 1788 C MET A 112 2.552 8.990 8.028 1.00 51.22 C ATOM 1789 O MET A 112 2.349 10.093 8.523 1.00 13.31 O ATOM 1790 CB MET A 112 1.653 7.897 10.124 1.00 10.44 C ATOM 1791 CG MET A 112 0.595 8.927 10.510 1.00 34.34 C ATOM 1792 SD MET A 112 -1.096 8.295 10.417 1.00 12.34 S ATOM 1793 CE MET A 112 -1.421 8.384 8.661 1.00 52.33 C ATOM 0 H MET A 112 2.205 5.725 8.014 1.00 23.41 H new ATOM 0 HA MET A 112 0.944 7.588 8.088 1.00 55.03 H new ATOM 0 HB2 MET A 112 1.365 6.933 10.543 1.00 10.44 H new ATOM 0 HB3 MET A 112 2.597 8.179 10.591 1.00 10.44 H new ATOM 0 HG2 MET A 112 0.790 9.273 11.525 1.00 34.34 H new ATOM 0 HG3 MET A 112 0.687 9.793 9.855 1.00 34.34 H new ATOM 0 HE1 MET A 112 -2.363 8.906 8.491 1.00 52.33 H new ATOM 0 HE2 MET A 112 -0.613 8.924 8.168 1.00 52.33 H new ATOM 0 HE3 MET A 112 -1.486 7.376 8.252 1.00 52.33 H new ATOM 1803 N THR A 113 3.308 8.836 6.950 1.00 13.24 N ATOM 1804 CA THR A 113 4.184 9.909 6.490 1.00 50.43 C ATOM 1805 C THR A 113 3.588 10.767 5.365 1.00 62.41 C ATOM 1806 O THR A 113 3.562 11.996 5.462 1.00 15.31 O ATOM 1807 CB THR A 113 5.519 9.323 6.010 1.00 53.11 C ATOM 1808 OG1 THR A 113 6.065 8.462 7.018 1.00 50.34 O ATOM 1809 CG2 THR A 113 6.511 10.427 5.687 1.00 4.52 C ATOM 0 H THR A 113 3.334 7.989 6.382 1.00 13.24 H new ATOM 0 HA THR A 113 4.324 10.565 7.349 1.00 50.43 H new ATOM 0 HB THR A 113 5.333 8.749 5.102 1.00 53.11 H new ATOM 0 HG1 THR A 113 5.412 8.348 7.740 1.00 50.34 H new ATOM 0 HG21 THR A 113 7.449 9.986 5.349 1.00 4.52 H new ATOM 0 HG22 THR A 113 6.105 11.063 4.900 1.00 4.52 H new ATOM 0 HG23 THR A 113 6.692 11.026 6.580 1.00 4.52 H new ATOM 1817 N LEU A 114 3.104 10.122 4.307 1.00 21.14 N ATOM 1818 CA LEU A 114 2.756 10.826 3.064 1.00 20.53 C ATOM 1819 C LEU A 114 1.726 11.965 3.209 1.00 54.42 C ATOM 1820 O LEU A 114 1.841 12.949 2.477 1.00 43.12 O ATOM 1821 CB LEU A 114 2.310 9.851 1.975 1.00 70.41 C ATOM 1822 CG LEU A 114 3.449 9.118 1.267 1.00 5.14 C ATOM 1823 CD1 LEU A 114 3.880 7.894 2.054 1.00 1.20 C ATOM 1824 CD2 LEU A 114 3.040 8.745 -0.144 1.00 4.42 C ATOM 0 H LEU A 114 2.942 9.115 4.280 1.00 21.14 H new ATOM 0 HA LEU A 114 3.686 11.313 2.772 1.00 20.53 H new ATOM 0 HB2 LEU A 114 1.642 9.113 2.419 1.00 70.41 H new ATOM 0 HB3 LEU A 114 1.731 10.399 1.231 1.00 70.41 H new ATOM 0 HG LEU A 114 4.306 9.789 1.207 1.00 5.14 H new ATOM 0 HD11 LEU A 114 4.692 7.391 1.528 1.00 1.20 H new ATOM 0 HD12 LEU A 114 4.222 8.199 3.043 1.00 1.20 H new ATOM 0 HD13 LEU A 114 3.036 7.212 2.157 1.00 1.20 H new ATOM 0 HD21 LEU A 114 3.862 8.224 -0.635 1.00 4.42 H new ATOM 0 HD22 LEU A 114 2.166 8.094 -0.110 1.00 4.42 H new ATOM 0 HD23 LEU A 114 2.798 9.649 -0.703 1.00 4.42 H new ATOM 1836 N PRO A 115 0.708 11.874 4.110 1.00 31.12 N ATOM 1837 CA PRO A 115 -0.266 12.965 4.315 1.00 43.13 C ATOM 1838 C PRO A 115 0.384 14.347 4.406 1.00 64.53 C ATOM 1839 O PRO A 115 -0.155 15.326 3.895 1.00 60.13 O ATOM 1840 CB PRO A 115 -0.929 12.604 5.644 1.00 54.21 C ATOM 1841 CG PRO A 115 -0.904 11.119 5.676 1.00 40.34 C ATOM 1842 CD PRO A 115 0.382 10.709 4.959 1.00 3.45 C ATOM 0 HA PRO A 115 -0.957 13.041 3.476 1.00 43.13 H new ATOM 0 HB2 PRO A 115 -0.386 13.029 6.488 1.00 54.21 H new ATOM 0 HB3 PRO A 115 -1.949 12.986 5.696 1.00 54.21 H new ATOM 0 HG2 PRO A 115 -0.915 10.750 6.701 1.00 40.34 H new ATOM 0 HG3 PRO A 115 -1.779 10.702 5.178 1.00 40.34 H new ATOM 0 HD2 PRO A 115 1.183 10.495 5.667 1.00 3.45 H new ATOM 0 HD3 PRO A 115 0.236 9.809 4.362 1.00 3.45 H new ATOM 1850 N THR A 116 1.539 14.422 5.054 1.00 31.45 N ATOM 1851 CA THR A 116 2.263 15.678 5.156 1.00 13.14 C ATOM 1852 C THR A 116 3.468 15.693 4.209 1.00 24.12 C ATOM 1853 O THR A 116 3.790 16.728 3.617 1.00 64.01 O ATOM 1854 CB THR A 116 2.709 15.956 6.613 1.00 15.23 C ATOM 1855 OG1 THR A 116 3.400 17.210 6.696 1.00 51.22 O ATOM 1856 CG2 THR A 116 3.606 14.849 7.155 1.00 62.35 C ATOM 0 H THR A 116 1.991 13.632 5.514 1.00 31.45 H new ATOM 0 HA THR A 116 1.582 16.475 4.858 1.00 13.14 H new ATOM 0 HB THR A 116 1.806 15.992 7.222 1.00 15.23 H new ATOM 0 HG1 THR A 116 3.674 17.372 7.623 1.00 51.22 H new ATOM 0 HG21 THR A 116 3.896 15.084 8.179 1.00 62.35 H new ATOM 0 HG22 THR A 116 3.066 13.902 7.139 1.00 62.35 H new ATOM 0 HG23 THR A 116 4.499 14.768 6.535 1.00 62.35 H new ATOM 1864 N ALA A 117 4.095 14.531 4.028 1.00 12.33 N ATOM 1865 CA ALA A 117 5.313 14.423 3.233 1.00 74.21 C ATOM 1866 C ALA A 117 5.083 14.841 1.784 1.00 31.05 C ATOM 1867 O ALA A 117 5.565 15.888 1.354 1.00 64.44 O ATOM 1868 CB ALA A 117 5.860 13.005 3.295 1.00 63.25 C ATOM 0 H ALA A 117 3.775 13.647 4.425 1.00 12.33 H new ATOM 0 HA ALA A 117 6.047 15.107 3.659 1.00 74.21 H new ATOM 0 HB1 ALA A 117 6.769 12.939 2.697 1.00 63.25 H new ATOM 0 HB2 ALA A 117 6.087 12.747 4.330 1.00 63.25 H new ATOM 0 HB3 ALA A 117 5.117 12.311 2.903 1.00 63.25 H new ATOM 1874 N VAL A 118 4.326 14.042 1.041 1.00 2.34 N ATOM 1875 CA VAL A 118 4.114 14.294 -0.382 1.00 63.33 C ATOM 1876 C VAL A 118 3.400 15.622 -0.600 1.00 63.31 C ATOM 1877 O VAL A 118 3.683 16.332 -1.567 1.00 53.21 O ATOM 1878 CB VAL A 118 3.325 13.148 -1.049 1.00 75.35 C ATOM 1879 CG1 VAL A 118 2.986 13.475 -2.499 1.00 51.04 C ATOM 1880 CG2 VAL A 118 4.124 11.859 -0.978 1.00 63.50 C ATOM 0 H VAL A 118 3.849 13.215 1.399 1.00 2.34 H new ATOM 0 HA VAL A 118 5.096 14.345 -0.851 1.00 63.33 H new ATOM 0 HB VAL A 118 2.388 13.024 -0.506 1.00 75.35 H new ATOM 0 HG11 VAL A 118 2.430 12.647 -2.938 1.00 51.04 H new ATOM 0 HG12 VAL A 118 2.379 14.379 -2.536 1.00 51.04 H new ATOM 0 HG13 VAL A 118 3.906 13.633 -3.061 1.00 51.04 H new ATOM 0 HG21 VAL A 118 3.560 11.055 -1.451 1.00 63.50 H new ATOM 0 HG22 VAL A 118 5.073 11.990 -1.497 1.00 63.50 H new ATOM 0 HG23 VAL A 118 4.313 11.605 0.065 1.00 63.50 H new ATOM 1890 N GLN A 119 2.503 15.967 0.323 1.00 63.44 N ATOM 1891 CA GLN A 119 1.800 17.242 0.269 1.00 21.11 C ATOM 1892 C GLN A 119 2.795 18.397 0.187 1.00 75.12 C ATOM 1893 O GLN A 119 2.585 19.356 -0.552 1.00 34.42 O ATOM 1894 CB GLN A 119 0.906 17.422 1.502 1.00 74.21 C ATOM 1895 CG GLN A 119 0.217 18.781 1.558 1.00 52.32 C ATOM 1896 CD GLN A 119 -0.593 18.998 2.825 1.00 60.52 C ATOM 1897 OE1 GLN A 119 -0.171 18.387 3.921 1.00 31.20 O flip ATOM 1898 NE2 GLN A 119 -1.588 19.722 2.819 1.00 51.43 N flip ATOM 0 H GLN A 119 2.248 15.379 1.116 1.00 63.44 H new ATOM 0 HA GLN A 119 1.175 17.243 -0.624 1.00 21.11 H new ATOM 0 HB2 GLN A 119 0.148 16.638 1.510 1.00 74.21 H new ATOM 0 HB3 GLN A 119 1.509 17.291 2.401 1.00 74.21 H new ATOM 0 HG2 GLN A 119 0.970 19.565 1.479 1.00 52.32 H new ATOM 0 HG3 GLN A 119 -0.440 18.882 0.694 1.00 52.32 H new ATOM 0 HE21 GLN A 119 -1.883 20.176 1.955 1.00 51.43 H new ATOM 0 HE22 GLN A 119 -2.118 19.868 3.678 1.00 51.43 H new ATOM 1907 N ALA A 120 3.877 18.295 0.948 1.00 53.40 N ATOM 1908 CA ALA A 120 4.895 19.336 0.972 1.00 1.22 C ATOM 1909 C ALA A 120 5.970 19.106 -0.088 1.00 51.42 C ATOM 1910 O ALA A 120 6.641 20.043 -0.510 1.00 30.12 O ATOM 1911 CB ALA A 120 5.525 19.424 2.353 1.00 20.34 C ATOM 0 H ALA A 120 4.072 17.501 1.557 1.00 53.40 H new ATOM 0 HA ALA A 120 4.404 20.281 0.741 1.00 1.22 H new ATOM 0 HB1 ALA A 120 6.284 20.206 2.357 1.00 20.34 H new ATOM 0 HB2 ALA A 120 4.757 19.660 3.089 1.00 20.34 H new ATOM 0 HB3 ALA A 120 5.986 18.469 2.604 1.00 20.34 H new ATOM 1917 N PHE A 121 6.128 17.865 -0.527 1.00 5.35 N ATOM 1918 CA PHE A 121 7.182 17.528 -1.477 1.00 40.05 C ATOM 1919 C PHE A 121 6.875 18.026 -2.884 1.00 44.15 C ATOM 1920 O PHE A 121 7.607 18.845 -3.427 1.00 70.43 O ATOM 1921 CB PHE A 121 7.438 16.022 -1.514 1.00 62.02 C ATOM 1922 CG PHE A 121 8.168 15.493 -0.308 1.00 34.53 C ATOM 1923 CD1 PHE A 121 8.891 16.345 0.514 1.00 51.44 C ATOM 1924 CD2 PHE A 121 8.133 14.143 0.001 1.00 61.42 C ATOM 1925 CE1 PHE A 121 9.562 15.860 1.619 1.00 44.54 C ATOM 1926 CE2 PHE A 121 8.803 13.651 1.105 1.00 41.02 C ATOM 1927 CZ PHE A 121 9.518 14.513 1.916 1.00 60.32 C ATOM 0 H PHE A 121 5.544 17.078 -0.243 1.00 5.35 H new ATOM 0 HA PHE A 121 8.080 18.036 -1.125 1.00 40.05 H new ATOM 0 HB2 PHE A 121 6.483 15.504 -1.604 1.00 62.02 H new ATOM 0 HB3 PHE A 121 8.015 15.784 -2.408 1.00 62.02 H new ATOM 0 HD1 PHE A 121 8.930 17.400 0.287 1.00 51.44 H new ATOM 0 HD2 PHE A 121 7.575 13.466 -0.629 1.00 61.42 H new ATOM 0 HE1 PHE A 121 10.121 16.534 2.251 1.00 44.54 H new ATOM 0 HE2 PHE A 121 8.768 12.596 1.334 1.00 41.02 H new ATOM 0 HZ PHE A 121 10.041 14.133 2.781 1.00 60.32 H new ATOM 1937 N ARG A 122 5.783 17.557 -3.470 1.00 2.21 N ATOM 1938 CA ARG A 122 5.531 17.832 -4.881 1.00 45.24 C ATOM 1939 C ARG A 122 4.930 19.224 -5.103 1.00 34.44 C ATOM 1940 O ARG A 122 4.485 19.546 -6.205 1.00 12.32 O ATOM 1941 CB ARG A 122 4.665 16.727 -5.516 1.00 43.14 C ATOM 1942 CG ARG A 122 3.280 16.544 -4.915 1.00 1.32 C ATOM 1943 CD ARG A 122 2.230 17.360 -5.655 1.00 63.45 C ATOM 1944 NE ARG A 122 0.884 16.849 -5.421 1.00 43.35 N ATOM 1945 CZ ARG A 122 -0.175 17.612 -5.157 1.00 24.03 C ATOM 1946 NH1 ARG A 122 -0.068 18.936 -5.141 1.00 2.22 N ATOM 1947 NH2 ARG A 122 -1.356 17.057 -4.939 1.00 55.43 N ATOM 0 H ARG A 122 5.070 16.996 -3.004 1.00 2.21 H new ATOM 0 HA ARG A 122 6.496 17.828 -5.387 1.00 45.24 H new ATOM 0 HB2 ARG A 122 4.554 16.944 -6.578 1.00 43.14 H new ATOM 0 HB3 ARG A 122 5.202 15.781 -5.439 1.00 43.14 H new ATOM 0 HG2 ARG A 122 3.008 15.489 -4.945 1.00 1.32 H new ATOM 0 HG3 ARG A 122 3.297 16.840 -3.866 1.00 1.32 H new ATOM 0 HD2 ARG A 122 2.285 18.400 -5.334 1.00 63.45 H new ATOM 0 HD3 ARG A 122 2.444 17.345 -6.724 1.00 63.45 H new ATOM 0 HE ARG A 122 0.745 15.839 -5.462 1.00 43.35 H new ATOM 0 HH11 ARG A 122 0.832 19.377 -5.332 1.00 2.22 H new ATOM 0 HH12 ARG A 122 -0.885 19.511 -4.938 1.00 2.22 H new ATOM 0 HH21 ARG A 122 -1.457 16.043 -4.973 1.00 55.43 H new ATOM 0 HH22 ARG A 122 -2.166 17.644 -4.737 1.00 55.43 H new ATOM 1961 N ARG A 123 4.946 20.061 -4.069 1.00 14.33 N ATOM 1962 CA ARG A 123 4.540 21.454 -4.228 1.00 20.25 C ATOM 1963 C ARG A 123 5.641 22.399 -3.738 1.00 41.35 C ATOM 1964 O ARG A 123 5.799 23.497 -4.268 1.00 3.41 O ATOM 1965 CB ARG A 123 3.195 21.727 -3.522 1.00 71.42 C ATOM 1966 CG ARG A 123 3.256 22.698 -2.350 1.00 53.10 C ATOM 1967 CD ARG A 123 3.677 22.001 -1.068 1.00 42.24 C ATOM 1968 NE ARG A 123 3.787 22.926 0.054 1.00 32.11 N ATOM 1969 CZ ARG A 123 3.161 22.770 1.219 1.00 11.51 C ATOM 1970 NH1 ARG A 123 2.372 21.719 1.416 1.00 53.24 N ATOM 1971 NH2 ARG A 123 3.331 23.664 2.185 1.00 51.35 N ATOM 0 H ARG A 123 5.232 19.804 -3.124 1.00 14.33 H new ATOM 0 HA ARG A 123 4.389 21.646 -5.290 1.00 20.25 H new ATOM 0 HB2 ARG A 123 2.491 22.116 -4.257 1.00 71.42 H new ATOM 0 HB3 ARG A 123 2.792 20.779 -3.165 1.00 71.42 H new ATOM 0 HG2 ARG A 123 3.959 23.499 -2.577 1.00 53.10 H new ATOM 0 HG3 ARG A 123 2.279 23.161 -2.209 1.00 53.10 H new ATOM 0 HD2 ARG A 123 2.953 21.223 -0.825 1.00 42.24 H new ATOM 0 HD3 ARG A 123 4.636 21.507 -1.224 1.00 42.24 H new ATOM 0 HE ARG A 123 4.382 23.746 -0.061 1.00 32.11 H new ATOM 0 HH11 ARG A 123 2.245 21.030 0.674 1.00 53.24 H new ATOM 0 HH12 ARG A 123 1.893 21.601 2.309 1.00 53.24 H new ATOM 0 HH21 ARG A 123 3.940 24.468 2.034 1.00 51.35 H new ATOM 0 HH22 ARG A 123 2.853 23.547 3.078 1.00 51.35 H new ATOM 1985 N ARG A 124 6.412 21.938 -2.749 1.00 23.20 N ATOM 1986 CA ARG A 124 7.493 22.722 -2.149 1.00 40.12 C ATOM 1987 C ARG A 124 6.977 24.056 -1.618 1.00 12.33 C ATOM 1988 O ARG A 124 7.309 25.106 -2.203 1.00 33.02 O ATOM 1989 CB ARG A 124 8.630 22.953 -3.155 1.00 22.33 C ATOM 1990 CG ARG A 124 9.256 21.672 -3.675 1.00 13.12 C ATOM 1991 CD ARG A 124 9.867 20.844 -2.556 1.00 12.45 C ATOM 1992 NE ARG A 124 10.354 19.551 -3.037 1.00 20.12 N ATOM 1993 CZ ARG A 124 10.790 18.575 -2.245 1.00 1.14 C ATOM 1994 NH1 ARG A 124 10.820 18.740 -0.925 1.00 75.13 N ATOM 1995 NH2 ARG A 124 11.171 17.420 -2.774 1.00 64.24 N ATOM 0 H ARG A 124 6.303 21.009 -2.342 1.00 23.20 H new ATOM 0 HA ARG A 124 7.887 22.149 -1.309 1.00 40.12 H new ATOM 0 HB2 ARG A 124 8.246 23.527 -3.998 1.00 22.33 H new ATOM 0 HB3 ARG A 124 9.403 23.559 -2.683 1.00 22.33 H new ATOM 0 HG2 ARG A 124 8.499 21.082 -4.191 1.00 13.12 H new ATOM 0 HG3 ARG A 124 10.025 21.915 -4.408 1.00 13.12 H new ATOM 0 HD2 ARG A 124 10.691 21.397 -2.104 1.00 12.45 H new ATOM 0 HD3 ARG A 124 9.123 20.684 -1.775 1.00 12.45 H new ATOM 0 HE ARG A 124 10.360 19.387 -4.044 1.00 20.12 H new ATOM 0 HH11 ARG A 124 10.507 19.619 -0.514 1.00 75.13 H new ATOM 0 HH12 ARG A 124 11.156 17.987 -0.324 1.00 75.13 H new ATOM 0 HH21 ARG A 124 11.129 17.283 -3.784 1.00 64.24 H new ATOM 0 HH22 ARG A 124 11.506 16.669 -2.171 1.00 64.24 H new