USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1045 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 12 CYS SG : rot 78:sc= 1.08 USER MOD Set 1.2: A 126 HIS : no HE2:sc= -6.21! C(o=-5.1!,f=-17!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= -0.261 (180deg=-0.846) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -90:sc= -0.35 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -107:sc= 1.18 USER MOD Single : A 20 TYR OH : rot -83:sc= 1.26 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00539 USER MOD Single : A 28 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.5) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -2.56! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 51 SER OG : rot -150:sc= -3.91! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.197) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= -0.612 (180deg=-0.625) USER MOD Single : A 65 SER OG : rot 57:sc= 0.646 USER MOD Single : A 71 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.9!) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.324 F(o=-2.6!,f=-0.32) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.507 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0333 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 30:sc= 0.967 USER MOD Single : A 91 TYR OH : rot -27:sc= -3.02 USER MOD Single : A 97 GLN :FLIP amide:sc= -2.66! C(o=-3.9!,f=-2.7!) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0909 USER MOD Single : A 120 ASN : amide:sc= -0.19 K(o=-0.19,f=-2!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 170:sc=-0.00221 (180deg=-0.137) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN :FLIP amide:sc= -0.121 F(o=-1.7,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.951 38.786 6.238 1.00 0.00 N ATOM 2 CA MET A 1 -2.555 38.564 7.656 1.00 0.00 C ATOM 3 C MET A 1 -2.939 37.162 8.123 1.00 0.00 C ATOM 4 O MET A 1 -3.873 36.987 8.907 1.00 0.00 O ATOM 5 CB MET A 1 -3.221 39.632 8.537 1.00 0.00 C ATOM 6 CG MET A 1 -4.667 39.930 8.162 1.00 0.00 C ATOM 7 SD MET A 1 -5.297 41.438 8.930 1.00 0.00 S ATOM 8 CE MET A 1 -6.127 40.784 10.377 1.00 0.00 C ATOM 0 H1 MET A 1 -2.932 39.804 6.028 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.286 38.291 5.610 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.912 38.418 6.084 1.00 0.00 H new ATOM 0 HA MET A 1 -1.471 38.648 7.739 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.186 39.305 9.576 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.642 40.554 8.473 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.745 40.021 7.079 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.294 39.089 8.457 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.564 41.604 10.947 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.915 40.098 10.066 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.408 40.252 11.000 1.00 0.00 H new ATOM 20 N ALA A 2 -2.203 36.170 7.632 1.00 0.00 N ATOM 21 CA ALA A 2 -2.444 34.774 7.985 1.00 0.00 C ATOM 22 C ALA A 2 -1.426 33.855 7.312 1.00 0.00 C ATOM 23 O ALA A 2 -1.725 32.700 7.010 1.00 0.00 O ATOM 24 CB ALA A 2 -3.859 34.364 7.603 1.00 0.00 C ATOM 0 H ALA A 2 -1.428 36.308 6.983 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.330 34.675 9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.021 33.321 7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.575 34.992 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.996 34.486 6.528 1.00 0.00 H new ATOM 30 N ALA A 3 -0.221 34.373 7.084 1.00 0.00 N ATOM 31 CA ALA A 3 0.835 33.594 6.453 1.00 0.00 C ATOM 32 C ALA A 3 1.533 32.708 7.477 1.00 0.00 C ATOM 33 O ALA A 3 2.163 33.201 8.412 1.00 0.00 O ATOM 34 CB ALA A 3 1.840 34.510 5.771 1.00 0.00 C ATOM 0 H ALA A 3 0.045 35.327 7.327 1.00 0.00 H new ATOM 0 HA ALA A 3 0.382 32.954 5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.622 33.910 5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.334 35.102 5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.286 35.176 6.510 1.00 0.00 H new ATOM 40 N GLU A 4 1.413 31.399 7.293 1.00 0.00 N ATOM 41 CA GLU A 4 2.029 30.444 8.203 1.00 0.00 C ATOM 42 C GLU A 4 2.483 29.200 7.450 1.00 0.00 C ATOM 43 O GLU A 4 2.092 28.979 6.303 1.00 0.00 O ATOM 44 CB GLU A 4 1.046 30.054 9.309 1.00 0.00 C ATOM 45 CG GLU A 4 1.723 29.573 10.581 1.00 0.00 C ATOM 46 CD GLU A 4 0.762 29.471 11.749 1.00 0.00 C ATOM 47 OE1 GLU A 4 -0.457 29.340 11.505 1.00 0.00 O ATOM 48 OE2 GLU A 4 1.227 29.524 12.907 1.00 0.00 O ATOM 0 H GLU A 4 0.895 30.976 6.523 1.00 0.00 H new ATOM 0 HA GLU A 4 2.902 30.916 8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.417 30.913 9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.387 29.269 8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.175 28.598 10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.532 30.257 10.839 1.00 0.00 H new ATOM 55 N LEU A 5 3.316 28.394 8.099 1.00 0.00 N ATOM 56 CA LEU A 5 3.830 27.172 7.492 1.00 0.00 C ATOM 57 C LEU A 5 3.926 26.055 8.523 1.00 0.00 C ATOM 58 O LEU A 5 4.924 25.937 9.235 1.00 0.00 O ATOM 59 CB LEU A 5 5.210 27.419 6.868 1.00 0.00 C ATOM 60 CG LEU A 5 5.412 28.802 6.237 1.00 0.00 C ATOM 61 CD1 LEU A 5 6.478 29.587 6.990 1.00 0.00 C ATOM 62 CD2 LEU A 5 5.781 28.674 4.766 1.00 0.00 C ATOM 0 H LEU A 5 3.650 28.565 9.047 1.00 0.00 H new ATOM 0 HA LEU A 5 3.135 26.869 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.968 27.276 7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.385 26.661 6.104 1.00 0.00 H new ATOM 0 HG LEU A 5 4.471 29.348 6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.606 30.565 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.170 29.715 8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.422 29.043 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.920 29.667 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.706 28.105 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.982 28.158 4.234 1.00 0.00 H new ATOM 74 N GLU A 6 2.881 25.237 8.601 1.00 0.00 N ATOM 75 CA GLU A 6 2.848 24.128 9.547 1.00 0.00 C ATOM 76 C GLU A 6 2.019 22.971 9.003 1.00 0.00 C ATOM 77 O GLU A 6 0.868 22.780 9.393 1.00 0.00 O ATOM 78 CB GLU A 6 2.283 24.587 10.891 1.00 0.00 C ATOM 79 CG GLU A 6 3.305 25.280 11.774 1.00 0.00 C ATOM 80 CD GLU A 6 2.825 25.445 13.203 1.00 0.00 C ATOM 81 OE1 GLU A 6 2.131 24.535 13.704 1.00 0.00 O ATOM 82 OE2 GLU A 6 3.143 26.483 13.820 1.00 0.00 O ATOM 0 H GLU A 6 2.046 25.321 8.021 1.00 0.00 H new ATOM 0 HA GLU A 6 3.871 23.782 9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.449 25.266 10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.883 23.723 11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.232 24.706 11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.535 26.260 11.357 1.00 0.00 H new ATOM 89 N TYR A 7 2.615 22.202 8.100 1.00 0.00 N ATOM 90 CA TYR A 7 1.938 21.060 7.502 1.00 0.00 C ATOM 91 C TYR A 7 2.948 20.092 6.900 1.00 0.00 C ATOM 92 O TYR A 7 3.797 20.483 6.100 1.00 0.00 O ATOM 93 CB TYR A 7 0.961 21.523 6.423 1.00 0.00 C ATOM 94 CG TYR A 7 1.590 22.440 5.402 1.00 0.00 C ATOM 95 CD1 TYR A 7 2.231 21.927 4.281 1.00 0.00 C ATOM 96 CD2 TYR A 7 1.547 23.818 5.560 1.00 0.00 C ATOM 97 CE1 TYR A 7 2.811 22.763 3.347 1.00 0.00 C ATOM 98 CE2 TYR A 7 2.123 24.661 4.630 1.00 0.00 C ATOM 99 CZ TYR A 7 2.753 24.129 3.526 1.00 0.00 C ATOM 100 OH TYR A 7 3.330 24.966 2.598 1.00 0.00 O ATOM 0 H TYR A 7 3.567 22.350 7.766 1.00 0.00 H new ATOM 0 HA TYR A 7 1.383 20.547 8.287 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.552 20.650 5.914 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.124 22.037 6.896 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.276 20.858 4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.055 24.238 6.425 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.307 22.349 2.481 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.080 25.731 4.767 1.00 0.00 H new ATOM 0 HH TYR A 7 3.199 25.898 2.872 1.00 0.00 H new ATOM 110 N GLU A 8 2.850 18.831 7.291 1.00 0.00 N ATOM 111 CA GLU A 8 3.757 17.806 6.791 1.00 0.00 C ATOM 112 C GLU A 8 3.091 16.438 6.836 1.00 0.00 C ATOM 113 O GLU A 8 2.763 15.930 7.908 1.00 0.00 O ATOM 114 CB GLU A 8 5.048 17.797 7.615 1.00 0.00 C ATOM 115 CG GLU A 8 4.855 17.329 9.045 1.00 0.00 C ATOM 116 CD GLU A 8 5.756 18.051 10.028 1.00 0.00 C ATOM 117 OE1 GLU A 8 5.849 19.293 9.945 1.00 0.00 O ATOM 118 OE2 GLU A 8 6.367 17.374 10.882 1.00 0.00 O ATOM 0 H GLU A 8 2.152 18.491 7.953 1.00 0.00 H new ATOM 0 HA GLU A 8 4.004 18.035 5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.776 17.151 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.470 18.802 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.815 17.480 9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.049 16.258 9.101 1.00 0.00 H new ATOM 125 N SER A 9 2.883 15.851 5.664 1.00 0.00 N ATOM 126 CA SER A 9 2.245 14.549 5.571 1.00 0.00 C ATOM 127 C SER A 9 2.594 13.875 4.249 1.00 0.00 C ATOM 128 O SER A 9 2.631 14.526 3.205 1.00 0.00 O ATOM 129 CB SER A 9 0.725 14.699 5.701 1.00 0.00 C ATOM 130 OG SER A 9 0.377 15.971 6.225 1.00 0.00 O ATOM 0 H SER A 9 3.148 16.258 4.767 1.00 0.00 H new ATOM 0 HA SER A 9 2.612 13.924 6.385 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.259 14.565 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.334 13.916 6.351 1.00 0.00 H new ATOM 0 HG SER A 9 0.328 15.920 7.202 1.00 0.00 H new ATOM 136 N VAL A 10 2.857 12.571 4.300 1.00 0.00 N ATOM 137 CA VAL A 10 3.213 11.810 3.099 1.00 0.00 C ATOM 138 C VAL A 10 2.294 12.159 1.935 1.00 0.00 C ATOM 139 O VAL A 10 2.763 12.546 0.864 1.00 0.00 O ATOM 140 CB VAL A 10 3.155 10.281 3.328 1.00 0.00 C ATOM 141 CG1 VAL A 10 4.536 9.744 3.675 1.00 0.00 C ATOM 142 CG2 VAL A 10 2.132 9.907 4.404 1.00 0.00 C ATOM 0 H VAL A 10 2.831 12.018 5.157 1.00 0.00 H new ATOM 0 HA VAL A 10 4.240 12.089 2.863 1.00 0.00 H new ATOM 0 HB VAL A 10 2.826 9.816 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.478 8.667 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.224 9.954 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.896 10.226 4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.121 8.825 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.403 10.384 5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.142 10.245 4.098 1.00 0.00 H new ATOM 152 N LEU A 11 0.987 12.030 2.152 1.00 0.00 N ATOM 153 CA LEU A 11 0.001 12.345 1.125 1.00 0.00 C ATOM 154 C LEU A 11 -0.145 11.204 0.135 1.00 0.00 C ATOM 155 O LEU A 11 0.472 11.212 -0.928 1.00 0.00 O ATOM 156 CB LEU A 11 0.379 13.625 0.377 1.00 0.00 C ATOM 157 CG LEU A 11 -0.763 14.283 -0.401 1.00 0.00 C ATOM 158 CD1 LEU A 11 -0.667 15.796 -0.301 1.00 0.00 C ATOM 159 CD2 LEU A 11 -0.744 13.843 -1.860 1.00 0.00 C ATOM 0 H LEU A 11 0.587 11.708 3.033 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.953 12.496 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.771 14.345 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.187 13.396 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.708 13.964 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.486 16.250 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.730 16.096 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.284 16.129 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.564 14.322 -2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.204 14.131 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.858 12.760 -1.915 1.00 0.00 H new ATOM 171 N CYS A 12 -0.981 10.237 0.473 1.00 0.00 N ATOM 172 CA CYS A 12 -1.215 9.108 -0.414 1.00 0.00 C ATOM 173 C CYS A 12 -2.596 8.506 -0.184 1.00 0.00 C ATOM 174 O CYS A 12 -2.994 8.230 0.949 1.00 0.00 O ATOM 175 CB CYS A 12 -0.113 8.061 -0.253 1.00 0.00 C ATOM 176 SG CYS A 12 -0.306 6.607 -1.308 1.00 0.00 S ATOM 0 H CYS A 12 -1.506 10.209 1.347 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.186 9.469 -1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.848 8.527 -0.469 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.084 7.739 0.788 1.00 0.00 H new ATOM 0 HG CYS A 12 0.078 6.894 -2.516 1.00 0.00 H new ATOM 182 N VAL A 13 -3.320 8.323 -1.286 1.00 0.00 N ATOM 183 CA VAL A 13 -4.675 7.778 -1.261 1.00 0.00 C ATOM 184 C VAL A 13 -4.979 7.013 -2.545 1.00 0.00 C ATOM 185 O VAL A 13 -4.265 7.145 -3.539 1.00 0.00 O ATOM 186 CB VAL A 13 -5.733 8.899 -1.114 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.531 9.685 0.171 1.00 0.00 C ATOM 188 CG2 VAL A 13 -5.711 9.828 -2.325 1.00 0.00 C ATOM 0 H VAL A 13 -2.983 8.549 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.726 7.109 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.713 8.425 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.290 10.464 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.617 9.014 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.541 10.142 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.463 10.607 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.726 10.285 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.929 9.256 -3.227 1.00 0.00 H new ATOM 198 N LYS A 14 -6.051 6.229 -2.528 1.00 0.00 N ATOM 199 CA LYS A 14 -6.451 5.465 -3.700 1.00 0.00 C ATOM 200 C LYS A 14 -7.785 4.769 -3.454 1.00 0.00 C ATOM 201 O LYS A 14 -7.842 3.703 -2.841 1.00 0.00 O ATOM 202 CB LYS A 14 -5.370 4.448 -4.072 1.00 0.00 C ATOM 203 CG LYS A 14 -5.118 3.395 -3.006 1.00 0.00 C ATOM 204 CD LYS A 14 -3.639 3.273 -2.671 1.00 0.00 C ATOM 205 CE LYS A 14 -3.144 1.844 -2.820 1.00 0.00 C ATOM 206 NZ LYS A 14 -2.314 1.421 -1.660 1.00 0.00 N ATOM 0 H LYS A 14 -6.657 6.107 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.574 6.154 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.657 3.951 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.439 4.979 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.675 3.650 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.493 2.432 -3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.063 3.928 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.468 3.612 -1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.997 1.173 -2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.560 1.756 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.996 0.441 -1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.486 2.046 -1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.879 1.481 -0.789 1.00 0.00 H new ATOM 220 N PRO A 15 -8.886 5.388 -3.915 1.00 0.00 N ATOM 221 CA PRO A 15 -10.234 4.848 -3.731 1.00 0.00 C ATOM 222 C PRO A 15 -10.526 3.632 -4.609 1.00 0.00 C ATOM 223 O PRO A 15 -11.423 2.843 -4.310 1.00 0.00 O ATOM 224 CB PRO A 15 -11.137 6.016 -4.120 1.00 0.00 C ATOM 225 CG PRO A 15 -10.328 6.835 -5.063 1.00 0.00 C ATOM 226 CD PRO A 15 -8.899 6.682 -4.629 1.00 0.00 C ATOM 0 HA PRO A 15 -10.381 4.488 -2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.055 5.665 -4.591 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.430 6.596 -3.245 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.462 6.493 -6.089 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.635 7.881 -5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.220 6.676 -5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.588 7.501 -3.980 1.00 0.00 H new ATOM 234 N ASP A 16 -9.775 3.493 -5.695 1.00 0.00 N ATOM 235 CA ASP A 16 -9.964 2.380 -6.623 1.00 0.00 C ATOM 236 C ASP A 16 -8.805 1.391 -6.556 1.00 0.00 C ATOM 237 O ASP A 16 -7.868 1.474 -7.348 1.00 0.00 O ATOM 238 CB ASP A 16 -10.100 2.911 -8.053 1.00 0.00 C ATOM 239 CG ASP A 16 -8.964 3.842 -8.435 1.00 0.00 C ATOM 240 OD1 ASP A 16 -8.136 4.163 -7.558 1.00 0.00 O ATOM 241 OD2 ASP A 16 -8.902 4.250 -9.614 1.00 0.00 O ATOM 0 H ASP A 16 -9.028 4.137 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.875 1.857 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.128 2.072 -8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.048 3.439 -8.153 1.00 0.00 H new ATOM 246 N VAL A 17 -8.871 0.451 -5.612 1.00 0.00 N ATOM 247 CA VAL A 17 -7.813 -0.547 -5.469 1.00 0.00 C ATOM 248 C VAL A 17 -8.338 -1.874 -4.931 1.00 0.00 C ATOM 249 O VAL A 17 -9.415 -1.934 -4.335 1.00 0.00 O ATOM 250 CB VAL A 17 -6.679 -0.053 -4.553 1.00 0.00 C ATOM 251 CG1 VAL A 17 -5.639 0.715 -5.357 1.00 0.00 C ATOM 252 CG2 VAL A 17 -7.237 0.796 -3.422 1.00 0.00 C ATOM 0 H VAL A 17 -9.636 0.361 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.421 -0.705 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.188 -0.919 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.845 1.056 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.217 0.064 -6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.109 1.576 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.420 1.136 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.757 1.659 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.935 0.202 -2.831 1.00 0.00 H new ATOM 262 N SER A 18 -7.561 -2.937 -5.143 1.00 0.00 N ATOM 263 CA SER A 18 -7.932 -4.266 -4.681 1.00 0.00 C ATOM 264 C SER A 18 -6.861 -4.829 -3.753 1.00 0.00 C ATOM 265 O SER A 18 -5.678 -4.848 -4.090 1.00 0.00 O ATOM 266 CB SER A 18 -8.144 -5.206 -5.873 1.00 0.00 C ATOM 267 OG SER A 18 -9.329 -5.968 -5.721 1.00 0.00 O ATOM 0 H SER A 18 -6.668 -2.898 -5.634 1.00 0.00 H new ATOM 0 HA SER A 18 -8.867 -4.187 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.198 -4.624 -6.793 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.288 -5.875 -5.969 1.00 0.00 H new ATOM 0 HG SER A 18 -9.096 -6.897 -5.514 1.00 0.00 H new ATOM 273 N VAL A 19 -7.285 -5.280 -2.583 1.00 0.00 N ATOM 274 CA VAL A 19 -6.369 -5.839 -1.596 1.00 0.00 C ATOM 275 C VAL A 19 -6.407 -7.361 -1.638 1.00 0.00 C ATOM 276 O VAL A 19 -7.259 -7.942 -2.301 1.00 0.00 O ATOM 277 CB VAL A 19 -6.734 -5.380 -0.169 1.00 0.00 C ATOM 278 CG1 VAL A 19 -5.492 -5.229 0.696 1.00 0.00 C ATOM 279 CG2 VAL A 19 -7.535 -4.085 -0.195 1.00 0.00 C ATOM 0 H VAL A 19 -8.262 -5.270 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.370 -5.481 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.360 -6.154 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.782 -4.905 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.975 -6.187 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.828 -4.488 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.778 -3.787 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.945 -3.302 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.456 -4.238 -0.757 1.00 0.00 H new ATOM 289 N TYR A 20 -5.493 -8.001 -0.917 1.00 0.00 N ATOM 290 CA TYR A 20 -5.444 -9.457 -0.862 1.00 0.00 C ATOM 291 C TYR A 20 -5.202 -9.923 0.572 1.00 0.00 C ATOM 292 O TYR A 20 -4.592 -9.212 1.370 1.00 0.00 O ATOM 293 CB TYR A 20 -4.349 -9.997 -1.786 1.00 0.00 C ATOM 294 CG TYR A 20 -4.805 -10.212 -3.214 1.00 0.00 C ATOM 295 CD1 TYR A 20 -4.975 -9.139 -4.078 1.00 0.00 C ATOM 296 CD2 TYR A 20 -5.061 -11.489 -3.699 1.00 0.00 C ATOM 297 CE1 TYR A 20 -5.387 -9.331 -5.384 1.00 0.00 C ATOM 298 CE2 TYR A 20 -5.471 -11.690 -5.003 1.00 0.00 C ATOM 299 CZ TYR A 20 -5.634 -10.608 -5.841 1.00 0.00 C ATOM 300 OH TYR A 20 -6.043 -10.804 -7.141 1.00 0.00 O ATOM 0 H TYR A 20 -4.776 -7.534 -0.362 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.404 -9.846 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.509 -9.302 -1.783 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.982 -10.942 -1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.782 -8.137 -3.724 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.937 -12.339 -3.045 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.515 -8.485 -6.043 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.663 -12.690 -5.364 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.012 -10.672 -7.203 1.00 0.00 H new ATOM 310 N ARG A 21 -5.701 -11.111 0.902 1.00 0.00 N ATOM 311 CA ARG A 21 -5.550 -11.657 2.247 1.00 0.00 C ATOM 312 C ARG A 21 -4.874 -13.022 2.211 1.00 0.00 C ATOM 313 O ARG A 21 -5.411 -13.976 1.652 1.00 0.00 O ATOM 314 CB ARG A 21 -6.916 -11.773 2.925 1.00 0.00 C ATOM 315 CG ARG A 21 -6.873 -11.546 4.428 1.00 0.00 C ATOM 316 CD ARG A 21 -7.376 -10.159 4.797 1.00 0.00 C ATOM 317 NE ARG A 21 -7.357 -9.931 6.240 1.00 0.00 N ATOM 318 CZ ARG A 21 -7.702 -8.779 6.812 1.00 0.00 C ATOM 319 NH1 ARG A 21 -8.110 -7.758 6.068 1.00 0.00 N ATOM 320 NH2 ARG A 21 -7.641 -8.647 8.130 1.00 0.00 N ATOM 0 H ARG A 21 -6.213 -11.713 0.257 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.920 -10.976 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.597 -11.050 2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.327 -12.763 2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.481 -12.300 4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.851 -11.671 4.787 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.759 -9.408 4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.392 -10.032 4.424 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.063 -10.698 6.844 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.160 -7.854 5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.373 -6.878 6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.330 -9.428 8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.906 -7.764 8.567 1.00 0.00 H new ATOM 334 N ILE A 22 -3.696 -13.116 2.812 1.00 0.00 N ATOM 335 CA ILE A 22 -2.962 -14.373 2.841 1.00 0.00 C ATOM 336 C ILE A 22 -2.687 -14.818 4.273 1.00 0.00 C ATOM 337 O ILE A 22 -1.537 -14.862 4.708 1.00 0.00 O ATOM 338 CB ILE A 22 -1.631 -14.266 2.073 1.00 0.00 C ATOM 339 CG1 ILE A 22 -1.870 -13.645 0.696 1.00 0.00 C ATOM 340 CG2 ILE A 22 -0.987 -15.639 1.936 1.00 0.00 C ATOM 341 CD1 ILE A 22 -0.645 -12.982 0.107 1.00 0.00 C ATOM 0 H ILE A 22 -3.230 -12.341 3.284 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.590 -15.118 2.352 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.951 -13.623 2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.216 -14.420 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.669 -12.908 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.047 -15.547 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.793 -16.051 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.659 -16.303 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.891 -12.565 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.310 -12.183 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.150 -13.719 -0.004 1.00 0.00 H new ATOM 353 N PRO A 23 -3.747 -15.160 5.027 1.00 0.00 N ATOM 354 CA PRO A 23 -3.622 -15.608 6.413 1.00 0.00 C ATOM 355 C PRO A 23 -2.463 -16.590 6.596 1.00 0.00 C ATOM 356 O PRO A 23 -2.438 -17.653 5.974 1.00 0.00 O ATOM 357 CB PRO A 23 -4.965 -16.302 6.703 1.00 0.00 C ATOM 358 CG PRO A 23 -5.766 -16.223 5.439 1.00 0.00 C ATOM 359 CD PRO A 23 -5.149 -15.143 4.597 1.00 0.00 C ATOM 0 HA PRO A 23 -3.411 -14.779 7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.810 -17.339 7.000 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.486 -15.810 7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.752 -17.178 4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.809 -15.994 5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.248 -15.353 3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.616 -14.174 4.776 1.00 0.00 H new ATOM 367 N PRO A 24 -1.483 -16.245 7.450 1.00 0.00 N ATOM 368 CA PRO A 24 -0.321 -17.103 7.701 1.00 0.00 C ATOM 369 C PRO A 24 -0.696 -18.374 8.449 1.00 0.00 C ATOM 370 O PRO A 24 -0.485 -18.484 9.656 1.00 0.00 O ATOM 371 CB PRO A 24 0.596 -16.224 8.554 1.00 0.00 C ATOM 372 CG PRO A 24 -0.315 -15.249 9.212 1.00 0.00 C ATOM 373 CD PRO A 24 -1.429 -14.999 8.234 1.00 0.00 C ATOM 0 HA PRO A 24 0.143 -17.445 6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.139 -16.817 9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.341 -15.717 7.940 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.701 -15.647 10.150 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.210 -14.324 9.451 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.373 -14.803 8.742 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.222 -14.135 7.602 1.00 0.00 H new ATOM 381 N ARG A 25 -1.258 -19.334 7.721 1.00 0.00 N ATOM 382 CA ARG A 25 -1.667 -20.597 8.318 1.00 0.00 C ATOM 383 C ARG A 25 -1.168 -21.783 7.497 1.00 0.00 C ATOM 384 O ARG A 25 -1.914 -22.724 7.226 1.00 0.00 O ATOM 385 CB ARG A 25 -3.191 -20.647 8.461 1.00 0.00 C ATOM 386 CG ARG A 25 -3.668 -21.321 9.741 1.00 0.00 C ATOM 387 CD ARG A 25 -3.070 -20.669 10.979 1.00 0.00 C ATOM 388 NE ARG A 25 -2.905 -21.619 12.075 1.00 0.00 N ATOM 389 CZ ARG A 25 -1.991 -22.586 12.088 1.00 0.00 C ATOM 390 NH1 ARG A 25 -1.160 -22.739 11.066 1.00 0.00 N ATOM 391 NH2 ARG A 25 -1.907 -23.402 13.126 1.00 0.00 N ATOM 0 H ARG A 25 -1.439 -19.260 6.720 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.218 -20.664 9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.583 -19.630 8.429 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.609 -21.177 7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.756 -21.272 9.794 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.397 -22.376 9.719 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.102 -20.235 10.728 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.712 -19.850 11.303 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.527 -21.537 12.879 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.219 -22.113 10.263 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.462 -23.483 11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.543 -23.290 13.916 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.207 -24.143 13.136 1.00 0.00 H new ATOM 405 N ALA A 26 0.104 -21.732 7.115 1.00 0.00 N ATOM 406 CA ALA A 26 0.715 -22.802 6.335 1.00 0.00 C ATOM 407 C ALA A 26 2.076 -23.174 6.911 1.00 0.00 C ATOM 408 O ALA A 26 2.636 -22.437 7.721 1.00 0.00 O ATOM 409 CB ALA A 26 0.854 -22.387 4.881 1.00 0.00 C ATOM 0 H ALA A 26 0.733 -20.959 7.334 1.00 0.00 H new ATOM 0 HA ALA A 26 0.067 -23.677 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.312 -23.197 4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.131 -22.167 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.481 -21.498 4.815 1.00 0.00 H new ATOM 415 N SER A 27 2.607 -24.317 6.488 1.00 0.00 N ATOM 416 CA SER A 27 3.908 -24.773 6.967 1.00 0.00 C ATOM 417 C SER A 27 5.037 -24.176 6.128 1.00 0.00 C ATOM 418 O SER A 27 5.988 -24.868 5.764 1.00 0.00 O ATOM 419 CB SER A 27 3.980 -26.301 6.937 1.00 0.00 C ATOM 420 OG SER A 27 2.687 -26.871 6.842 1.00 0.00 O ATOM 0 H SER A 27 2.159 -24.942 5.818 1.00 0.00 H new ATOM 0 HA SER A 27 4.029 -24.434 7.996 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.586 -26.623 6.090 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.475 -26.663 7.838 1.00 0.00 H new ATOM 0 HG SER A 27 2.761 -27.848 6.823 1.00 0.00 H new ATOM 426 N ASN A 28 4.925 -22.885 5.829 1.00 0.00 N ATOM 427 CA ASN A 28 5.929 -22.188 5.038 1.00 0.00 C ATOM 428 C ASN A 28 5.836 -20.681 5.263 1.00 0.00 C ATOM 429 O ASN A 28 4.747 -20.108 5.249 1.00 0.00 O ATOM 430 CB ASN A 28 5.748 -22.512 3.554 1.00 0.00 C ATOM 431 CG ASN A 28 6.301 -23.877 3.188 1.00 0.00 C ATOM 432 OD1 ASN A 28 5.551 -24.835 3.009 1.00 0.00 O ATOM 433 ND2 ASN A 28 7.621 -23.970 3.077 1.00 0.00 N ATOM 0 H ASN A 28 4.144 -22.300 6.125 1.00 0.00 H new ATOM 0 HA ASN A 28 6.916 -22.525 5.355 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.688 -22.473 3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.245 -21.749 2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.051 -24.863 2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.205 -23.149 3.234 1.00 0.00 H new ATOM 440 N ARG A 29 6.986 -20.047 5.474 1.00 0.00 N ATOM 441 CA ARG A 29 7.037 -18.604 5.707 1.00 0.00 C ATOM 442 C ARG A 29 6.297 -17.846 4.614 1.00 0.00 C ATOM 443 O ARG A 29 5.560 -16.898 4.887 1.00 0.00 O ATOM 444 CB ARG A 29 8.489 -18.131 5.770 1.00 0.00 C ATOM 445 CG ARG A 29 9.277 -18.746 6.913 1.00 0.00 C ATOM 446 CD ARG A 29 10.486 -17.902 7.276 1.00 0.00 C ATOM 447 NE ARG A 29 11.739 -18.610 7.030 1.00 0.00 N ATOM 448 CZ ARG A 29 12.939 -18.104 7.298 1.00 0.00 C ATOM 449 NH1 ARG A 29 13.054 -16.888 7.818 1.00 0.00 N ATOM 450 NH2 ARG A 29 14.030 -18.816 7.046 1.00 0.00 N ATOM 0 H ARG A 29 7.896 -20.508 5.489 1.00 0.00 H new ATOM 0 HA ARG A 29 6.548 -18.400 6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.982 -18.371 4.828 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.505 -17.046 5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.632 -18.852 7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.603 -19.748 6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.471 -16.979 6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.429 -17.620 8.327 1.00 0.00 H new ATOM 0 HE ARG A 29 11.691 -19.547 6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.219 -16.336 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.977 -16.506 8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.948 -19.751 6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.951 -18.428 7.251 1.00 0.00 H new ATOM 464 N GLY A 30 6.500 -18.272 3.375 1.00 0.00 N ATOM 465 CA GLY A 30 5.849 -17.628 2.255 1.00 0.00 C ATOM 466 C GLY A 30 6.016 -18.410 0.969 1.00 0.00 C ATOM 467 O GLY A 30 6.555 -19.516 0.979 1.00 0.00 O ATOM 0 H GLY A 30 7.106 -19.054 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.787 -17.512 2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.259 -16.627 2.125 1.00 0.00 H new ATOM 471 N TYR A 31 5.559 -17.837 -0.138 1.00 0.00 N ATOM 472 CA TYR A 31 5.668 -18.494 -1.435 1.00 0.00 C ATOM 473 C TYR A 31 5.365 -17.518 -2.563 1.00 0.00 C ATOM 474 O TYR A 31 4.374 -16.791 -2.518 1.00 0.00 O ATOM 475 CB TYR A 31 4.721 -19.694 -1.511 1.00 0.00 C ATOM 476 CG TYR A 31 5.381 -20.961 -2.014 1.00 0.00 C ATOM 477 CD1 TYR A 31 6.269 -21.671 -1.214 1.00 0.00 C ATOM 478 CD2 TYR A 31 5.112 -21.450 -3.287 1.00 0.00 C ATOM 479 CE1 TYR A 31 6.870 -22.830 -1.668 1.00 0.00 C ATOM 480 CE2 TYR A 31 5.708 -22.610 -3.747 1.00 0.00 C ATOM 481 CZ TYR A 31 6.586 -23.296 -2.935 1.00 0.00 C ATOM 482 OH TYR A 31 7.180 -24.452 -3.394 1.00 0.00 O ATOM 0 H TYR A 31 5.111 -16.921 -0.164 1.00 0.00 H new ATOM 0 HA TYR A 31 6.693 -18.847 -1.548 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.305 -19.880 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.886 -19.445 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.493 -21.311 -0.221 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.426 -20.915 -3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.559 -23.368 -1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.487 -22.977 -4.738 1.00 0.00 H new ATOM 0 HH TYR A 31 6.870 -24.640 -4.305 1.00 0.00 H new ATOM 492 N ARG A 32 6.233 -17.504 -3.562 1.00 0.00 N ATOM 493 CA ARG A 32 6.077 -16.613 -4.701 1.00 0.00 C ATOM 494 C ARG A 32 4.824 -16.962 -5.503 1.00 0.00 C ATOM 495 O ARG A 32 4.273 -18.058 -5.377 1.00 0.00 O ATOM 496 CB ARG A 32 7.322 -16.692 -5.593 1.00 0.00 C ATOM 497 CG ARG A 32 7.746 -18.114 -5.924 1.00 0.00 C ATOM 498 CD ARG A 32 9.163 -18.167 -6.467 1.00 0.00 C ATOM 499 NE ARG A 32 9.591 -19.541 -6.721 1.00 0.00 N ATOM 500 CZ ARG A 32 10.411 -20.228 -5.928 1.00 0.00 C ATOM 501 NH1 ARG A 32 10.914 -19.673 -4.831 1.00 0.00 N ATOM 502 NH2 ARG A 32 10.728 -21.478 -6.233 1.00 0.00 N ATOM 0 H ARG A 32 7.057 -18.103 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 32 5.964 -15.594 -4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.128 -16.155 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.147 -16.182 -5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.676 -18.732 -5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.059 -18.537 -6.657 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.221 -17.591 -7.390 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.844 -17.699 -5.756 1.00 0.00 H new ATOM 0 HE ARG A 32 9.239 -20.003 -7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.673 -18.712 -4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.541 -20.208 -4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.344 -21.911 -7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.356 -22.007 -5.628 1.00 0.00 H new ATOM 516 N ALA A 33 4.372 -16.015 -6.319 1.00 0.00 N ATOM 517 CA ALA A 33 3.182 -16.218 -7.136 1.00 0.00 C ATOM 518 C ALA A 33 3.374 -17.320 -8.178 1.00 0.00 C ATOM 519 O ALA A 33 2.449 -17.632 -8.931 1.00 0.00 O ATOM 520 CB ALA A 33 2.766 -14.922 -7.809 1.00 0.00 C ATOM 0 H ALA A 33 4.811 -15.101 -6.432 1.00 0.00 H new ATOM 0 HA ALA A 33 2.387 -16.542 -6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.876 -15.096 -8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.548 -14.171 -7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.575 -14.568 -8.447 1.00 0.00 H new ATOM 526 N SER A 34 4.562 -17.928 -8.217 1.00 0.00 N ATOM 527 CA SER A 34 4.825 -19.004 -9.166 1.00 0.00 C ATOM 528 C SER A 34 3.801 -20.115 -8.986 1.00 0.00 C ATOM 529 O SER A 34 3.314 -20.694 -9.957 1.00 0.00 O ATOM 530 CB SER A 34 6.232 -19.572 -8.966 1.00 0.00 C ATOM 531 OG SER A 34 7.222 -18.626 -9.320 1.00 0.00 O ATOM 0 H SER A 34 5.347 -17.695 -7.609 1.00 0.00 H new ATOM 0 HA SER A 34 4.751 -18.596 -10.174 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.363 -19.867 -7.925 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.353 -20.472 -9.570 1.00 0.00 H new ATOM 0 HG SER A 34 8.111 -19.015 -9.181 1.00 0.00 H new ATOM 537 N ASP A 35 3.487 -20.409 -7.728 1.00 0.00 N ATOM 538 CA ASP A 35 2.528 -21.457 -7.411 1.00 0.00 C ATOM 539 C ASP A 35 1.673 -21.098 -6.195 1.00 0.00 C ATOM 540 O ASP A 35 1.025 -21.968 -5.614 1.00 0.00 O ATOM 541 CB ASP A 35 3.263 -22.776 -7.157 1.00 0.00 C ATOM 542 CG ASP A 35 3.004 -23.800 -8.245 1.00 0.00 C ATOM 543 OD1 ASP A 35 2.786 -23.393 -9.406 1.00 0.00 O ATOM 544 OD2 ASP A 35 3.023 -25.009 -7.935 1.00 0.00 O ATOM 0 H ASP A 35 3.882 -19.937 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 35 1.861 -21.564 -8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.334 -22.585 -7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.950 -23.184 -6.196 1.00 0.00 H new ATOM 549 N TRP A 36 1.660 -19.820 -5.815 1.00 0.00 N ATOM 550 CA TRP A 36 0.869 -19.382 -4.671 1.00 0.00 C ATOM 551 C TRP A 36 -0.613 -19.290 -5.045 1.00 0.00 C ATOM 552 O TRP A 36 -1.445 -19.987 -4.465 1.00 0.00 O ATOM 553 CB TRP A 36 1.416 -18.043 -4.159 1.00 0.00 C ATOM 554 CG TRP A 36 0.448 -17.213 -3.371 1.00 0.00 C ATOM 555 CD1 TRP A 36 0.037 -17.411 -2.082 1.00 0.00 C ATOM 556 CD2 TRP A 36 -0.214 -16.032 -3.827 1.00 0.00 C ATOM 557 NE1 TRP A 36 -0.841 -16.420 -1.714 1.00 0.00 N ATOM 558 CE2 TRP A 36 -1.010 -15.564 -2.769 1.00 0.00 C ATOM 559 CE3 TRP A 36 -0.208 -15.324 -5.032 1.00 0.00 C ATOM 560 CZ2 TRP A 36 -1.791 -14.420 -2.880 1.00 0.00 C ATOM 561 CZ3 TRP A 36 -0.986 -14.188 -5.142 1.00 0.00 C ATOM 562 CH2 TRP A 36 -1.767 -13.745 -4.069 1.00 0.00 C ATOM 0 H TRP A 36 2.184 -19.078 -6.279 1.00 0.00 H new ATOM 0 HA TRP A 36 0.949 -20.114 -3.867 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.289 -18.240 -3.537 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.758 -17.459 -5.013 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.355 -18.225 -1.448 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.293 -16.336 -0.803 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.395 -15.659 -5.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.397 -14.076 -2.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.992 -13.634 -6.069 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.363 -12.852 -4.182 1.00 0.00 H new ATOM 573 N LYS A 37 -0.939 -18.448 -6.026 1.00 0.00 N ATOM 574 CA LYS A 37 -2.323 -18.297 -6.473 1.00 0.00 C ATOM 575 C LYS A 37 -3.232 -17.885 -5.313 1.00 0.00 C ATOM 576 O LYS A 37 -2.911 -18.116 -4.147 1.00 0.00 O ATOM 577 CB LYS A 37 -2.816 -19.610 -7.094 1.00 0.00 C ATOM 578 CG LYS A 37 -4.203 -19.521 -7.720 1.00 0.00 C ATOM 579 CD LYS A 37 -5.174 -20.503 -7.081 1.00 0.00 C ATOM 580 CE LYS A 37 -5.526 -21.643 -8.025 1.00 0.00 C ATOM 581 NZ LYS A 37 -6.592 -22.518 -7.463 1.00 0.00 N ATOM 0 H LYS A 37 -0.267 -17.863 -6.524 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.358 -17.509 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.105 -19.928 -7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.825 -20.382 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.587 -18.507 -7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.133 -19.722 -8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.734 -20.908 -6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.084 -19.978 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.857 -21.235 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.635 -22.238 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.804 -23.283 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.267 -22.928 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.451 -21.956 -7.297 1.00 0.00 H new ATOM 595 N LEU A 38 -4.364 -17.269 -5.638 1.00 0.00 N ATOM 596 CA LEU A 38 -5.305 -16.827 -4.618 1.00 0.00 C ATOM 597 C LEU A 38 -6.569 -16.254 -5.257 1.00 0.00 C ATOM 598 O LEU A 38 -6.503 -15.323 -6.060 1.00 0.00 O ATOM 599 CB LEU A 38 -4.645 -15.778 -3.719 1.00 0.00 C ATOM 600 CG LEU A 38 -5.305 -15.564 -2.355 1.00 0.00 C ATOM 601 CD1 LEU A 38 -5.353 -16.865 -1.569 1.00 0.00 C ATOM 602 CD2 LEU A 38 -4.551 -14.500 -1.573 1.00 0.00 C ATOM 0 H LEU A 38 -4.650 -17.066 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.589 -17.688 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.606 -16.066 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.634 -14.826 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.329 -15.226 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.826 -16.689 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.928 -17.605 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.339 -17.234 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.028 -14.354 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.519 -14.819 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.565 -13.562 -2.128 1.00 0.00 H new ATOM 614 N ASP A 39 -7.718 -16.826 -4.902 1.00 0.00 N ATOM 615 CA ASP A 39 -8.996 -16.378 -5.449 1.00 0.00 C ATOM 616 C ASP A 39 -10.055 -16.219 -4.358 1.00 0.00 C ATOM 617 O ASP A 39 -11.160 -15.743 -4.625 1.00 0.00 O ATOM 618 CB ASP A 39 -9.495 -17.366 -6.505 1.00 0.00 C ATOM 619 CG ASP A 39 -9.456 -18.798 -6.009 1.00 0.00 C ATOM 620 OD1 ASP A 39 -9.362 -18.997 -4.780 1.00 0.00 O ATOM 621 OD2 ASP A 39 -9.518 -19.721 -6.849 1.00 0.00 O ATOM 0 H ASP A 39 -7.790 -17.598 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.831 -15.403 -5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.516 -17.109 -6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.883 -17.277 -7.402 1.00 0.00 H new ATOM 626 N GLN A 40 -9.731 -16.629 -3.132 1.00 0.00 N ATOM 627 CA GLN A 40 -10.677 -16.532 -2.032 1.00 0.00 C ATOM 628 C GLN A 40 -10.784 -15.091 -1.536 1.00 0.00 C ATOM 629 O GLN A 40 -11.857 -14.494 -1.594 1.00 0.00 O ATOM 630 CB GLN A 40 -10.268 -17.464 -0.886 1.00 0.00 C ATOM 631 CG GLN A 40 -10.174 -18.925 -1.284 1.00 0.00 C ATOM 632 CD GLN A 40 -10.636 -19.858 -0.183 1.00 0.00 C ATOM 633 OE1 GLN A 40 -11.572 -19.549 0.556 1.00 0.00 O ATOM 634 NE2 GLN A 40 -9.979 -21.004 -0.070 1.00 0.00 N ATOM 0 H GLN A 40 -8.826 -17.028 -2.881 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.656 -16.842 -2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.303 -17.141 -0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.989 -17.364 -0.075 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.777 -19.095 -2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.143 -19.161 -1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.210 -21.216 -0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.243 -21.674 0.653 1.00 0.00 H new ATOM 643 N PRO A 41 -9.682 -14.502 -1.042 1.00 0.00 N ATOM 644 CA PRO A 41 -9.698 -13.122 -0.545 1.00 0.00 C ATOM 645 C PRO A 41 -9.844 -12.091 -1.675 1.00 0.00 C ATOM 646 O PRO A 41 -10.874 -12.058 -2.349 1.00 0.00 O ATOM 647 CB PRO A 41 -8.350 -13.005 0.164 1.00 0.00 C ATOM 648 CG PRO A 41 -7.473 -13.934 -0.594 1.00 0.00 C ATOM 649 CD PRO A 41 -8.344 -15.112 -0.922 1.00 0.00 C ATOM 0 HA PRO A 41 -10.548 -12.916 0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.970 -11.984 0.137 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.423 -13.290 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.089 -13.463 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.610 -14.235 0.000 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.036 -15.598 -1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.313 -15.869 -0.139 1.00 0.00 H new ATOM 657 N ASP A 42 -8.831 -11.243 -1.879 1.00 0.00 N ATOM 658 CA ASP A 42 -8.890 -10.226 -2.918 1.00 0.00 C ATOM 659 C ASP A 42 -10.137 -9.361 -2.744 1.00 0.00 C ATOM 660 O ASP A 42 -11.013 -9.329 -3.608 1.00 0.00 O ATOM 661 CB ASP A 42 -8.885 -10.873 -4.301 1.00 0.00 C ATOM 662 CG ASP A 42 -8.777 -9.850 -5.416 1.00 0.00 C ATOM 663 OD1 ASP A 42 -8.873 -8.639 -5.125 1.00 0.00 O ATOM 664 OD2 ASP A 42 -8.598 -10.263 -6.581 1.00 0.00 O ATOM 0 H ASP A 42 -7.966 -11.245 -1.338 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.008 -9.591 -2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.051 -11.571 -4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.798 -11.454 -4.431 1.00 0.00 H new ATOM 669 N TRP A 43 -10.211 -8.669 -1.610 1.00 0.00 N ATOM 670 CA TRP A 43 -11.354 -7.812 -1.308 1.00 0.00 C ATOM 671 C TRP A 43 -11.262 -6.483 -2.057 1.00 0.00 C ATOM 672 O TRP A 43 -10.189 -6.088 -2.507 1.00 0.00 O ATOM 673 CB TRP A 43 -11.489 -7.574 0.205 1.00 0.00 C ATOM 674 CG TRP A 43 -10.197 -7.363 0.934 1.00 0.00 C ATOM 675 CD1 TRP A 43 -9.234 -8.295 1.193 1.00 0.00 C ATOM 676 CD2 TRP A 43 -9.746 -6.144 1.532 1.00 0.00 C ATOM 677 NE1 TRP A 43 -8.207 -7.728 1.901 1.00 0.00 N ATOM 678 CE2 TRP A 43 -8.498 -6.411 2.125 1.00 0.00 C ATOM 679 CE3 TRP A 43 -10.270 -4.851 1.620 1.00 0.00 C ATOM 680 CZ2 TRP A 43 -7.770 -5.439 2.797 1.00 0.00 C ATOM 681 CZ3 TRP A 43 -9.544 -3.885 2.290 1.00 0.00 C ATOM 682 CH2 TRP A 43 -8.305 -4.185 2.869 1.00 0.00 C ATOM 0 H TRP A 43 -9.493 -8.685 -0.885 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.250 -8.331 -1.649 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -12.124 -6.703 0.365 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -12.002 -8.428 0.647 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.275 -9.329 0.885 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.363 -8.210 2.210 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.224 -4.612 1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.815 -5.666 3.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.938 -2.883 2.368 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.761 -3.407 3.384 1.00 0.00 H new ATOM 693 N THR A 44 -12.400 -5.799 -2.187 1.00 0.00 N ATOM 694 CA THR A 44 -12.444 -4.515 -2.884 1.00 0.00 C ATOM 695 C THR A 44 -12.689 -3.362 -1.912 1.00 0.00 C ATOM 696 O THR A 44 -13.629 -3.396 -1.117 1.00 0.00 O ATOM 697 CB THR A 44 -13.529 -4.528 -3.964 1.00 0.00 C ATOM 698 OG1 THR A 44 -13.557 -3.294 -4.661 1.00 0.00 O ATOM 699 CG2 THR A 44 -14.917 -4.775 -3.417 1.00 0.00 C ATOM 0 H THR A 44 -13.299 -6.112 -1.820 1.00 0.00 H new ATOM 0 HA THR A 44 -11.473 -4.362 -3.356 1.00 0.00 H new ATOM 0 HB THR A 44 -13.265 -5.352 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.255 -3.322 -5.348 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.637 -4.771 -4.236 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.943 -5.742 -2.915 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.173 -3.990 -2.706 1.00 0.00 H new ATOM 707 N GLY A 45 -11.835 -2.344 -1.976 1.00 0.00 N ATOM 708 CA GLY A 45 -11.975 -1.196 -1.095 1.00 0.00 C ATOM 709 C GLY A 45 -10.949 -0.114 -1.384 1.00 0.00 C ATOM 710 O GLY A 45 -10.102 -0.276 -2.262 1.00 0.00 O ATOM 0 H GLY A 45 -11.048 -2.293 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.977 -0.780 -1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.873 -1.522 -0.060 1.00 0.00 H new ATOM 714 N ARG A 46 -11.023 0.991 -0.645 1.00 0.00 N ATOM 715 CA ARG A 46 -10.090 2.097 -0.836 1.00 0.00 C ATOM 716 C ARG A 46 -9.016 2.106 0.240 1.00 0.00 C ATOM 717 O ARG A 46 -9.259 1.716 1.383 1.00 0.00 O ATOM 718 CB ARG A 46 -10.823 3.437 -0.836 1.00 0.00 C ATOM 719 CG ARG A 46 -11.514 3.761 0.473 1.00 0.00 C ATOM 720 CD ARG A 46 -12.606 4.796 0.276 1.00 0.00 C ATOM 721 NE ARG A 46 -12.083 6.153 0.164 1.00 0.00 N ATOM 722 CZ ARG A 46 -12.648 7.216 0.731 1.00 0.00 C ATOM 723 NH1 ARG A 46 -13.716 7.084 1.511 1.00 0.00 N ATOM 724 NH2 ARG A 46 -12.136 8.418 0.523 1.00 0.00 N ATOM 0 H ARG A 46 -11.716 1.143 0.088 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.613 1.952 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.110 4.229 -1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.564 3.434 -1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.943 2.852 0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.783 4.132 1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.172 4.554 -0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.302 4.747 1.113 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.233 6.296 -0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.112 6.160 1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.139 7.907 1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.313 8.526 -0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.565 9.237 0.955 1.00 0.00 H new ATOM 738 N LEU A 47 -7.822 2.549 -0.137 1.00 0.00 N ATOM 739 CA LEU A 47 -6.704 2.605 0.788 1.00 0.00 C ATOM 740 C LEU A 47 -6.025 3.964 0.723 1.00 0.00 C ATOM 741 O LEU A 47 -5.922 4.571 -0.341 1.00 0.00 O ATOM 742 CB LEU A 47 -5.698 1.497 0.465 1.00 0.00 C ATOM 743 CG LEU A 47 -6.125 0.094 0.901 1.00 0.00 C ATOM 744 CD1 LEU A 47 -6.884 -0.605 -0.217 1.00 0.00 C ATOM 745 CD2 LEU A 47 -4.915 -0.729 1.326 1.00 0.00 C ATOM 0 H LEU A 47 -7.606 2.874 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.083 2.456 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.520 1.489 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.748 1.737 0.943 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.790 0.190 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.180 -1.601 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.773 -0.028 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.244 -0.688 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.241 -1.723 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.222 -0.816 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.416 -0.237 2.161 1.00 0.00 H new ATOM 757 N ARG A 48 -5.561 4.442 1.865 1.00 0.00 N ATOM 758 CA ARG A 48 -4.889 5.729 1.921 1.00 0.00 C ATOM 759 C ARG A 48 -4.017 5.835 3.162 1.00 0.00 C ATOM 760 O ARG A 48 -4.188 5.085 4.124 1.00 0.00 O ATOM 761 CB ARG A 48 -5.904 6.875 1.886 1.00 0.00 C ATOM 762 CG ARG A 48 -6.809 6.944 3.107 1.00 0.00 C ATOM 763 CD ARG A 48 -6.591 8.230 3.893 1.00 0.00 C ATOM 764 NE ARG A 48 -7.246 9.380 3.270 1.00 0.00 N ATOM 765 CZ ARG A 48 -6.610 10.487 2.888 1.00 0.00 C ATOM 766 NH1 ARG A 48 -5.295 10.601 3.052 1.00 0.00 N ATOM 767 NH2 ARG A 48 -7.289 11.480 2.329 1.00 0.00 N ATOM 0 H ARG A 48 -5.637 3.961 2.761 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.247 5.808 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.367 7.819 1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.523 6.770 0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.851 6.881 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.618 6.086 3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.972 8.103 4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.522 8.425 3.977 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.253 9.332 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.765 9.838 3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.816 11.452 2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.296 11.396 2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.804 12.328 2.036 1.00 0.00 H new ATOM 781 N ILE A 49 -3.079 6.769 3.128 1.00 0.00 N ATOM 782 CA ILE A 49 -2.172 6.979 4.242 1.00 0.00 C ATOM 783 C ILE A 49 -1.953 8.467 4.489 1.00 0.00 C ATOM 784 O ILE A 49 -2.067 9.282 3.571 1.00 0.00 O ATOM 785 CB ILE A 49 -0.821 6.278 3.990 1.00 0.00 C ATOM 786 CG1 ILE A 49 -0.074 6.934 2.833 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.052 4.804 3.691 1.00 0.00 C ATOM 788 CD1 ILE A 49 1.427 6.978 3.022 1.00 0.00 C ATOM 0 H ILE A 49 -2.927 7.395 2.337 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.628 6.543 5.131 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.211 6.374 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.299 6.393 1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.445 7.951 2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.094 4.314 3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.548 4.334 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.679 4.706 2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.888 7.458 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.664 7.545 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.811 5.963 3.121 1.00 0.00 H new ATOM 800 N THR A 50 -1.647 8.817 5.732 1.00 0.00 N ATOM 801 CA THR A 50 -1.424 10.211 6.098 1.00 0.00 C ATOM 802 C THR A 50 -0.539 10.313 7.336 1.00 0.00 C ATOM 803 O THR A 50 -0.362 9.338 8.065 1.00 0.00 O ATOM 804 CB THR A 50 -2.762 10.909 6.363 1.00 0.00 C ATOM 805 OG1 THR A 50 -3.844 10.126 5.889 1.00 0.00 O ATOM 806 CG2 THR A 50 -2.869 12.274 5.717 1.00 0.00 C ATOM 0 H THR A 50 -1.548 8.156 6.503 1.00 0.00 H new ATOM 0 HA THR A 50 -0.919 10.702 5.266 1.00 0.00 H new ATOM 0 HB THR A 50 -2.807 11.032 7.445 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.688 10.590 6.070 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.842 12.710 5.946 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.081 12.922 6.102 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.761 12.175 4.637 1.00 0.00 H new ATOM 814 N SER A 51 0.009 11.500 7.570 1.00 0.00 N ATOM 815 CA SER A 51 0.869 11.726 8.729 1.00 0.00 C ATOM 816 C SER A 51 0.678 13.129 9.293 1.00 0.00 C ATOM 817 O SER A 51 0.745 14.118 8.562 1.00 0.00 O ATOM 818 CB SER A 51 2.339 11.512 8.358 1.00 0.00 C ATOM 819 OG SER A 51 2.461 10.757 7.166 1.00 0.00 O ATOM 0 H SER A 51 -0.125 12.318 6.976 1.00 0.00 H new ATOM 0 HA SER A 51 0.586 11.005 9.496 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.829 12.477 8.232 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.851 10.998 9.171 1.00 0.00 H new ATOM 0 HG SER A 51 3.293 10.239 7.190 1.00 0.00 H new ATOM 825 N LYS A 52 0.450 13.210 10.603 1.00 0.00 N ATOM 826 CA LYS A 52 0.262 14.494 11.266 1.00 0.00 C ATOM 827 C LYS A 52 1.507 15.357 11.111 1.00 0.00 C ATOM 828 O LYS A 52 1.469 16.414 10.481 1.00 0.00 O ATOM 829 CB LYS A 52 -0.049 14.300 12.755 1.00 0.00 C ATOM 830 CG LYS A 52 -0.474 15.577 13.465 1.00 0.00 C ATOM 831 CD LYS A 52 0.723 16.394 13.926 1.00 0.00 C ATOM 832 CE LYS A 52 0.403 17.879 13.960 1.00 0.00 C ATOM 833 NZ LYS A 52 0.929 18.531 15.190 1.00 0.00 N ATOM 0 H LYS A 52 0.392 12.402 11.223 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.584 14.995 10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.841 13.558 12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.833 13.896 13.251 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.088 16.178 12.794 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.095 15.325 14.325 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.030 16.064 14.918 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.565 16.217 13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.830 18.363 13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.677 18.019 13.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.690 19.543 15.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.503 18.087 16.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.962 18.420 15.227 1.00 0.00 H new ATOM 847 N GLY A 53 2.611 14.894 11.694 1.00 0.00 N ATOM 848 CA GLY A 53 3.856 15.631 11.613 1.00 0.00 C ATOM 849 C GLY A 53 5.052 14.822 12.080 1.00 0.00 C ATOM 850 O GLY A 53 5.962 14.545 11.297 1.00 0.00 O ATOM 0 H GLY A 53 2.663 14.022 12.220 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.018 15.948 10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.777 16.535 12.217 1.00 0.00 H new ATOM 854 N LYS A 54 5.058 14.441 13.353 1.00 0.00 N ATOM 855 CA LYS A 54 6.160 13.658 13.908 1.00 0.00 C ATOM 856 C LYS A 54 5.973 12.171 13.617 1.00 0.00 C ATOM 857 O LYS A 54 6.943 11.417 13.543 1.00 0.00 O ATOM 858 CB LYS A 54 6.273 13.883 15.418 1.00 0.00 C ATOM 859 CG LYS A 54 6.057 15.328 15.842 1.00 0.00 C ATOM 860 CD LYS A 54 7.358 15.982 16.279 1.00 0.00 C ATOM 861 CE LYS A 54 7.145 16.906 17.467 1.00 0.00 C ATOM 862 NZ LYS A 54 6.052 17.888 17.224 1.00 0.00 N ATOM 0 H LYS A 54 4.317 14.660 14.019 1.00 0.00 H new ATOM 0 HA LYS A 54 7.081 13.992 13.431 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.543 13.252 15.925 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.259 13.560 15.751 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.626 15.891 15.014 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.338 15.364 16.660 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.084 15.212 16.541 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.779 16.547 15.448 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.908 16.312 18.350 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.071 17.440 17.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.125 18.666 17.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.135 18.269 16.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.131 17.416 17.332 1.00 0.00 H new ATOM 876 N ILE A 55 4.721 11.757 13.457 1.00 0.00 N ATOM 877 CA ILE A 55 4.407 10.360 13.178 1.00 0.00 C ATOM 878 C ILE A 55 3.498 10.235 11.960 1.00 0.00 C ATOM 879 O ILE A 55 3.138 11.234 11.339 1.00 0.00 O ATOM 880 CB ILE A 55 3.730 9.689 14.387 1.00 0.00 C ATOM 881 CG1 ILE A 55 2.470 10.458 14.786 1.00 0.00 C ATOM 882 CG2 ILE A 55 4.699 9.607 15.558 1.00 0.00 C ATOM 883 CD1 ILE A 55 1.209 9.933 14.135 1.00 0.00 C ATOM 0 H ILE A 55 3.907 12.369 13.516 1.00 0.00 H new ATOM 0 HA ILE A 55 5.351 9.854 12.974 1.00 0.00 H new ATOM 0 HB ILE A 55 3.441 8.676 14.107 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.355 10.414 15.869 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.596 11.508 14.521 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.206 9.130 16.405 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.571 9.020 15.268 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.015 10.611 15.840 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.356 10.526 14.464 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.303 10.002 13.051 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.059 8.892 14.420 1.00 0.00 H new ATOM 895 N ALA A 56 3.131 9.003 11.623 1.00 0.00 N ATOM 896 CA ALA A 56 2.267 8.753 10.475 1.00 0.00 C ATOM 897 C ALA A 56 1.227 7.684 10.791 1.00 0.00 C ATOM 898 O ALA A 56 1.498 6.747 11.537 1.00 0.00 O ATOM 899 CB ALA A 56 3.103 8.341 9.270 1.00 0.00 C ATOM 0 H ALA A 56 3.418 8.164 12.127 1.00 0.00 H new ATOM 0 HA ALA A 56 1.737 9.676 10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.448 8.157 8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.803 9.139 9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.657 7.432 9.505 1.00 0.00 H new ATOM 905 N TYR A 57 0.038 7.827 10.213 1.00 0.00 N ATOM 906 CA TYR A 57 -1.039 6.865 10.431 1.00 0.00 C ATOM 907 C TYR A 57 -1.788 6.595 9.136 1.00 0.00 C ATOM 908 O TYR A 57 -2.073 7.514 8.368 1.00 0.00 O ATOM 909 CB TYR A 57 -2.018 7.370 11.495 1.00 0.00 C ATOM 910 CG TYR A 57 -2.253 8.860 11.449 1.00 0.00 C ATOM 911 CD1 TYR A 57 -1.366 9.734 12.057 1.00 0.00 C ATOM 912 CD2 TYR A 57 -3.358 9.392 10.800 1.00 0.00 C ATOM 913 CE1 TYR A 57 -1.570 11.098 12.022 1.00 0.00 C ATOM 914 CE2 TYR A 57 -3.572 10.757 10.759 1.00 0.00 C ATOM 915 CZ TYR A 57 -2.675 11.606 11.372 1.00 0.00 C ATOM 916 OH TYR A 57 -2.885 12.965 11.334 1.00 0.00 O ATOM 0 H TYR A 57 -0.204 8.598 9.591 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.587 5.937 10.782 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.972 6.857 11.370 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.638 7.102 12.481 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.499 9.340 12.567 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.062 8.729 10.319 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.868 11.764 12.501 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.437 11.156 10.250 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.707 13.155 10.836 1.00 0.00 H new ATOM 926 N ILE A 58 -2.111 5.330 8.898 1.00 0.00 N ATOM 927 CA ILE A 58 -2.831 4.948 7.694 1.00 0.00 C ATOM 928 C ILE A 58 -4.263 4.549 8.023 1.00 0.00 C ATOM 929 O ILE A 58 -4.539 4.019 9.099 1.00 0.00 O ATOM 930 CB ILE A 58 -2.115 3.799 6.958 1.00 0.00 C ATOM 931 CG1 ILE A 58 -2.165 2.509 7.774 1.00 0.00 C ATOM 932 CG2 ILE A 58 -0.675 4.193 6.684 1.00 0.00 C ATOM 933 CD1 ILE A 58 -3.307 1.595 7.388 1.00 0.00 C ATOM 0 H ILE A 58 -1.886 4.555 9.522 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.853 5.815 7.034 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.628 3.617 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.224 1.973 7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.252 2.760 8.831 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.168 3.380 6.163 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.655 5.089 6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.167 4.392 7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.281 0.699 8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.254 2.113 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.210 1.314 6.339 1.00 0.00 H new ATOM 945 N LYS A 59 -5.174 4.818 7.094 1.00 0.00 N ATOM 946 CA LYS A 59 -6.582 4.497 7.287 1.00 0.00 C ATOM 947 C LYS A 59 -7.126 3.709 6.105 1.00 0.00 C ATOM 948 O LYS A 59 -6.681 3.882 4.971 1.00 0.00 O ATOM 949 CB LYS A 59 -7.408 5.774 7.466 1.00 0.00 C ATOM 950 CG LYS A 59 -6.846 6.729 8.505 1.00 0.00 C ATOM 951 CD LYS A 59 -7.320 6.374 9.904 1.00 0.00 C ATOM 952 CE LYS A 59 -6.550 7.144 10.966 1.00 0.00 C ATOM 953 NZ LYS A 59 -7.416 8.125 11.677 1.00 0.00 N ATOM 0 H LYS A 59 -4.961 5.258 6.199 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.661 3.888 8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.472 6.291 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.424 5.501 7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.757 6.704 8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.149 7.748 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.384 6.592 9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.199 5.304 10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.127 6.444 11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.714 7.667 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.854 8.629 12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.800 8.808 10.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.199 7.623 12.142 1.00 0.00 H new ATOM 967 N LEU A 60 -8.099 2.852 6.376 1.00 0.00 N ATOM 968 CA LEU A 60 -8.716 2.046 5.336 1.00 0.00 C ATOM 969 C LEU A 60 -10.230 2.088 5.466 1.00 0.00 C ATOM 970 O LEU A 60 -10.759 2.281 6.554 1.00 0.00 O ATOM 971 CB LEU A 60 -8.233 0.597 5.421 1.00 0.00 C ATOM 972 CG LEU A 60 -7.103 0.229 4.457 1.00 0.00 C ATOM 973 CD1 LEU A 60 -5.759 0.281 5.166 1.00 0.00 C ATOM 974 CD2 LEU A 60 -7.342 -1.154 3.867 1.00 0.00 C ATOM 0 H LEU A 60 -8.478 2.697 7.310 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.427 2.458 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.898 0.402 6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.080 -0.063 5.232 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.090 0.955 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.967 0.016 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.586 1.288 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.758 -0.424 5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.531 -1.403 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.379 -1.891 4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.288 -1.160 3.325 1.00 0.00 H new ATOM 986 N GLU A 61 -10.918 1.892 4.353 1.00 0.00 N ATOM 987 CA GLU A 61 -12.375 1.893 4.344 1.00 0.00 C ATOM 988 C GLU A 61 -12.891 1.489 2.973 1.00 0.00 C ATOM 989 O GLU A 61 -12.113 1.317 2.040 1.00 0.00 O ATOM 990 CB GLU A 61 -12.929 3.267 4.738 1.00 0.00 C ATOM 991 CG GLU A 61 -12.104 4.443 4.235 1.00 0.00 C ATOM 992 CD GLU A 61 -12.932 5.707 4.089 1.00 0.00 C ATOM 993 OE1 GLU A 61 -14.175 5.599 4.036 1.00 0.00 O ATOM 994 OE2 GLU A 61 -12.338 6.804 4.030 1.00 0.00 O ATOM 0 H GLU A 61 -10.491 1.730 3.441 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.720 1.167 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.945 3.360 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.993 3.322 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.281 4.628 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.661 4.188 3.272 1.00 0.00 H new ATOM 1001 N ASP A 62 -14.200 1.332 2.852 1.00 0.00 N ATOM 1002 CA ASP A 62 -14.799 0.948 1.584 1.00 0.00 C ATOM 1003 C ASP A 62 -15.125 2.174 0.739 1.00 0.00 C ATOM 1004 O ASP A 62 -15.702 3.144 1.228 1.00 0.00 O ATOM 1005 CB ASP A 62 -16.057 0.121 1.823 1.00 0.00 C ATOM 1006 CG ASP A 62 -16.643 -0.435 0.539 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -15.901 -0.524 -0.462 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -17.841 -0.787 0.536 1.00 0.00 O ATOM 0 H ASP A 62 -14.866 1.464 3.614 1.00 0.00 H new ATOM 0 HA ASP A 62 -14.076 0.342 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.823 -0.703 2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.804 0.739 2.321 1.00 0.00 H new ATOM 1013 N LYS A 63 -14.751 2.122 -0.534 1.00 0.00 N ATOM 1014 CA LYS A 63 -15.005 3.225 -1.455 1.00 0.00 C ATOM 1015 C LYS A 63 -16.492 3.381 -1.764 1.00 0.00 C ATOM 1016 O LYS A 63 -16.885 4.304 -2.478 1.00 0.00 O ATOM 1017 CB LYS A 63 -14.222 3.023 -2.751 1.00 0.00 C ATOM 1018 CG LYS A 63 -13.963 4.311 -3.511 1.00 0.00 C ATOM 1019 CD LYS A 63 -14.703 4.339 -4.839 1.00 0.00 C ATOM 1020 CE LYS A 63 -14.232 5.488 -5.715 1.00 0.00 C ATOM 1021 NZ LYS A 63 -14.276 6.789 -4.990 1.00 0.00 N ATOM 0 H LYS A 63 -14.270 1.326 -0.953 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.670 4.140 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.268 2.549 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.771 2.335 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.274 5.161 -2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.893 4.420 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.550 3.395 -5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.774 4.433 -4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.214 5.294 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.858 5.547 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.932 7.546 -5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.255 6.994 -4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.672 6.736 -4.145 1.00 0.00 H new ATOM 1035 N VAL A 64 -17.319 2.484 -1.238 1.00 0.00 N ATOM 1036 CA VAL A 64 -18.751 2.551 -1.484 1.00 0.00 C ATOM 1037 C VAL A 64 -19.437 3.486 -0.494 1.00 0.00 C ATOM 1038 O VAL A 64 -20.004 4.505 -0.887 1.00 0.00 O ATOM 1039 CB VAL A 64 -19.398 1.155 -1.415 1.00 0.00 C ATOM 1040 CG1 VAL A 64 -20.845 1.212 -1.880 1.00 0.00 C ATOM 1041 CG2 VAL A 64 -18.603 0.162 -2.250 1.00 0.00 C ATOM 0 H VAL A 64 -17.024 1.709 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 64 -18.885 2.947 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 64 -19.388 0.819 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -21.285 0.216 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -21.406 1.893 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -20.883 1.568 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -19.072 -0.820 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -18.583 0.493 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -17.584 0.100 -1.869 1.00 0.00 H new ATOM 1051 N SER A 65 -19.379 3.146 0.792 1.00 0.00 N ATOM 1052 CA SER A 65 -19.994 3.975 1.826 1.00 0.00 C ATOM 1053 C SER A 65 -19.739 3.403 3.220 1.00 0.00 C ATOM 1054 O SER A 65 -20.652 2.888 3.865 1.00 0.00 O ATOM 1055 CB SER A 65 -21.501 4.104 1.575 1.00 0.00 C ATOM 1056 OG SER A 65 -21.818 5.366 1.010 1.00 0.00 O ATOM 0 H SER A 65 -18.915 2.307 1.141 1.00 0.00 H new ATOM 0 HA SER A 65 -19.538 4.964 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.831 3.309 0.906 1.00 0.00 H new ATOM 0 HB3 SER A 65 -22.041 3.976 2.513 1.00 0.00 H new ATOM 0 HG SER A 65 -21.308 5.492 0.183 1.00 0.00 H new ATOM 1062 N GLY A 66 -18.496 3.498 3.684 1.00 0.00 N ATOM 1063 CA GLY A 66 -18.160 2.987 5.002 1.00 0.00 C ATOM 1064 C GLY A 66 -18.072 1.473 5.029 1.00 0.00 C ATOM 1065 O GLY A 66 -18.686 0.797 4.203 1.00 0.00 O ATOM 0 H GLY A 66 -17.719 3.918 3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.207 3.410 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.911 3.318 5.719 1.00 0.00 H new ATOM 1069 N GLU A 67 -17.311 0.934 5.978 1.00 0.00 N ATOM 1070 CA GLU A 67 -17.155 -0.515 6.101 1.00 0.00 C ATOM 1071 C GLU A 67 -16.207 -0.873 7.249 1.00 0.00 C ATOM 1072 O GLU A 67 -16.042 -0.094 8.188 1.00 0.00 O ATOM 1073 CB GLU A 67 -16.639 -1.094 4.783 1.00 0.00 C ATOM 1074 CG GLU A 67 -17.399 -2.326 4.313 1.00 0.00 C ATOM 1075 CD GLU A 67 -16.542 -3.257 3.474 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -16.056 -2.820 2.410 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -16.357 -4.422 3.882 1.00 0.00 O ATOM 0 H GLU A 67 -16.794 1.475 6.671 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.129 -0.949 6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.698 -0.326 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.586 -1.350 4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.776 -2.868 5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.266 -2.013 3.731 1.00 0.00 H new ATOM 1084 N LEU A 68 -15.600 -2.062 7.172 1.00 0.00 N ATOM 1085 CA LEU A 68 -14.672 -2.534 8.220 1.00 0.00 C ATOM 1086 C LEU A 68 -13.810 -1.394 8.753 1.00 0.00 C ATOM 1087 O LEU A 68 -13.832 -1.097 9.947 1.00 0.00 O ATOM 1088 CB LEU A 68 -13.759 -3.665 7.703 1.00 0.00 C ATOM 1089 CG LEU A 68 -12.601 -4.047 8.637 1.00 0.00 C ATOM 1090 CD1 LEU A 68 -12.711 -5.504 9.061 1.00 0.00 C ATOM 1091 CD2 LEU A 68 -11.262 -3.788 7.958 1.00 0.00 C ATOM 0 H LEU A 68 -15.730 -2.717 6.401 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.288 -2.923 9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -14.369 -4.551 7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -13.345 -3.365 6.740 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.662 -3.426 9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.881 -5.754 9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.653 -5.660 9.586 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.677 -6.143 8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.452 -4.064 8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.194 -4.384 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.180 -2.731 7.706 1.00 0.00 H new ATOM 1103 N PHE A 69 -13.046 -0.767 7.865 1.00 0.00 N ATOM 1104 CA PHE A 69 -12.170 0.335 8.245 1.00 0.00 C ATOM 1105 C PHE A 69 -11.014 -0.173 9.100 1.00 0.00 C ATOM 1106 O PHE A 69 -11.220 -0.734 10.176 1.00 0.00 O ATOM 1107 CB PHE A 69 -12.953 1.430 8.986 1.00 0.00 C ATOM 1108 CG PHE A 69 -12.089 2.529 9.545 1.00 0.00 C ATOM 1109 CD1 PHE A 69 -11.648 3.565 8.737 1.00 0.00 C ATOM 1110 CD2 PHE A 69 -11.714 2.523 10.881 1.00 0.00 C ATOM 1111 CE1 PHE A 69 -10.854 4.573 9.247 1.00 0.00 C ATOM 1112 CE2 PHE A 69 -10.920 3.530 11.397 1.00 0.00 C ATOM 1113 CZ PHE A 69 -10.489 4.556 10.579 1.00 0.00 C ATOM 0 H PHE A 69 -13.016 -1.004 6.873 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.760 0.773 7.335 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -13.682 1.867 8.303 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -13.514 0.973 9.801 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.929 3.584 7.694 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.046 1.722 11.525 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.519 5.374 8.605 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.637 3.514 12.439 1.00 0.00 H new ATOM 0 HZ PHE A 69 -9.868 5.343 10.980 1.00 0.00 H new ATOM 1123 N ALA A 70 -9.797 0.028 8.608 1.00 0.00 N ATOM 1124 CA ALA A 70 -8.601 -0.408 9.317 1.00 0.00 C ATOM 1125 C ALA A 70 -7.528 0.670 9.284 1.00 0.00 C ATOM 1126 O ALA A 70 -7.298 1.298 8.252 1.00 0.00 O ATOM 1127 CB ALA A 70 -8.066 -1.700 8.710 1.00 0.00 C ATOM 0 H ALA A 70 -9.613 0.492 7.718 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.871 -0.592 10.357 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.173 -2.013 9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.826 -2.478 8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.817 -1.534 7.662 1.00 0.00 H new ATOM 1133 N GLN A 71 -6.860 0.878 10.411 1.00 0.00 N ATOM 1134 CA GLN A 71 -5.804 1.875 10.483 1.00 0.00 C ATOM 1135 C GLN A 71 -4.549 1.284 11.109 1.00 0.00 C ATOM 1136 O GLN A 71 -4.621 0.465 12.025 1.00 0.00 O ATOM 1137 CB GLN A 71 -6.257 3.107 11.270 1.00 0.00 C ATOM 1138 CG GLN A 71 -6.977 2.783 12.567 1.00 0.00 C ATOM 1139 CD GLN A 71 -6.370 3.500 13.759 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -5.157 3.692 13.826 1.00 0.00 O ATOM 1141 NE2 GLN A 71 -7.209 3.905 14.706 1.00 0.00 N ATOM 0 H GLN A 71 -7.030 0.373 11.281 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.574 2.188 9.464 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.386 3.722 11.494 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.916 3.705 10.641 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.027 3.060 12.476 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.945 1.707 12.738 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.209 3.726 14.612 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.853 4.395 15.527 1.00 0.00 H new ATOM 1150 N ALA A 72 -3.402 1.707 10.601 1.00 0.00 N ATOM 1151 CA ALA A 72 -2.118 1.228 11.097 1.00 0.00 C ATOM 1152 C ALA A 72 -1.192 2.397 11.428 1.00 0.00 C ATOM 1153 O ALA A 72 -0.428 2.854 10.577 1.00 0.00 O ATOM 1154 CB ALA A 72 -1.472 0.291 10.079 1.00 0.00 C ATOM 0 H ALA A 72 -3.333 2.384 9.842 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.291 0.669 12.017 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.514 -0.059 10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.126 -0.563 9.904 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.314 0.825 9.142 1.00 0.00 H new ATOM 1160 N PRO A 73 -1.251 2.905 12.676 1.00 0.00 N ATOM 1161 CA PRO A 73 -0.414 4.030 13.111 1.00 0.00 C ATOM 1162 C PRO A 73 1.062 3.657 13.190 1.00 0.00 C ATOM 1163 O PRO A 73 1.419 2.584 13.676 1.00 0.00 O ATOM 1164 CB PRO A 73 -0.958 4.367 14.503 1.00 0.00 C ATOM 1165 CG PRO A 73 -1.587 3.107 14.981 1.00 0.00 C ATOM 1166 CD PRO A 73 -2.139 2.429 13.757 1.00 0.00 C ATOM 0 HA PRO A 73 -0.459 4.864 12.411 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.160 4.689 15.172 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.684 5.179 14.458 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.857 2.472 15.483 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.378 3.315 15.702 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.112 1.343 13.851 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.177 2.707 13.577 1.00 0.00 H new ATOM 1174 N VAL A 74 1.916 4.554 12.710 1.00 0.00 N ATOM 1175 CA VAL A 74 3.356 4.329 12.725 1.00 0.00 C ATOM 1176 C VAL A 74 4.097 5.566 13.224 1.00 0.00 C ATOM 1177 O VAL A 74 3.592 6.684 13.125 1.00 0.00 O ATOM 1178 CB VAL A 74 3.882 3.955 11.327 1.00 0.00 C ATOM 1179 CG1 VAL A 74 3.292 2.629 10.876 1.00 0.00 C ATOM 1180 CG2 VAL A 74 3.568 5.057 10.323 1.00 0.00 C ATOM 0 H VAL A 74 1.634 5.447 12.304 1.00 0.00 H new ATOM 0 HA VAL A 74 3.541 3.498 13.405 1.00 0.00 H new ATOM 0 HB VAL A 74 4.965 3.847 11.382 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.674 2.379 9.886 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.573 1.847 11.581 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.206 2.709 10.836 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.948 4.774 9.341 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.489 5.201 10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.042 5.985 10.642 1.00 0.00 H new ATOM 1190 N GLU A 75 5.297 5.356 13.757 1.00 0.00 N ATOM 1191 CA GLU A 75 6.114 6.452 14.269 1.00 0.00 C ATOM 1192 C GLU A 75 6.793 7.223 13.139 1.00 0.00 C ATOM 1193 O GLU A 75 7.531 8.176 13.389 1.00 0.00 O ATOM 1194 CB GLU A 75 7.178 5.915 15.229 1.00 0.00 C ATOM 1195 CG GLU A 75 7.066 6.477 16.634 1.00 0.00 C ATOM 1196 CD GLU A 75 7.311 5.430 17.703 1.00 0.00 C ATOM 1197 OE1 GLU A 75 7.816 4.339 17.362 1.00 0.00 O ATOM 1198 OE2 GLU A 75 6.998 5.701 18.880 1.00 0.00 O ATOM 0 H GLU A 75 5.726 4.435 13.846 1.00 0.00 H new ATOM 0 HA GLU A 75 5.450 7.135 14.799 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.100 4.829 15.274 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.166 6.148 14.831 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.783 7.289 16.755 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.073 6.906 16.772 1.00 0.00 H new ATOM 1205 N GLN A 76 6.552 6.801 11.900 1.00 0.00 N ATOM 1206 CA GLN A 76 7.147 7.452 10.740 1.00 0.00 C ATOM 1207 C GLN A 76 8.671 7.434 10.825 1.00 0.00 C ATOM 1208 O GLN A 76 9.307 8.473 11.012 1.00 0.00 O ATOM 1209 CB GLN A 76 6.654 8.888 10.626 1.00 0.00 C ATOM 1210 CG GLN A 76 6.578 9.394 9.193 1.00 0.00 C ATOM 1211 CD GLN A 76 7.102 10.813 9.021 1.00 0.00 C ATOM 1212 OE1 GLN A 76 7.476 11.470 10.120 1.00 0.00 O flip ATOM 1213 NE2 GLN A 76 7.164 11.322 7.902 1.00 0.00 N flip ATOM 0 H GLN A 76 5.948 6.010 11.675 1.00 0.00 H new ATOM 0 HA GLN A 76 6.843 6.898 9.852 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.666 8.961 11.081 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.317 9.537 11.197 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.148 8.724 8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.542 9.355 8.857 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.869 10.790 7.083 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.510 12.275 7.794 1.00 0.00 H new ATOM 1222 N TYR A 77 9.249 6.246 10.680 1.00 0.00 N ATOM 1223 CA TYR A 77 10.699 6.087 10.731 1.00 0.00 C ATOM 1224 C TYR A 77 11.139 4.785 10.049 1.00 0.00 C ATOM 1225 O TYR A 77 11.875 4.826 9.064 1.00 0.00 O ATOM 1226 CB TYR A 77 11.195 6.144 12.183 1.00 0.00 C ATOM 1227 CG TYR A 77 12.674 6.437 12.325 1.00 0.00 C ATOM 1228 CD1 TYR A 77 13.623 5.766 11.560 1.00 0.00 C ATOM 1229 CD2 TYR A 77 13.123 7.380 13.241 1.00 0.00 C ATOM 1230 CE1 TYR A 77 14.972 6.028 11.704 1.00 0.00 C ATOM 1231 CE2 TYR A 77 14.470 7.650 13.387 1.00 0.00 C ATOM 1232 CZ TYR A 77 15.391 6.970 12.617 1.00 0.00 C ATOM 1233 OH TYR A 77 16.736 7.229 12.762 1.00 0.00 O ATOM 0 H TYR A 77 8.735 5.378 10.526 1.00 0.00 H new ATOM 0 HA TYR A 77 11.150 6.914 10.182 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.632 6.909 12.717 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.977 5.192 12.667 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.300 5.028 10.841 1.00 0.00 H new ATOM 0 HD2 TYR A 77 12.406 7.911 13.850 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.695 5.496 11.103 1.00 0.00 H new ATOM 0 HE2 TYR A 77 14.801 8.390 14.101 1.00 0.00 H new ATOM 0 HH TYR A 77 16.864 7.920 13.445 1.00 0.00 H new ATOM 1243 N PRO A 78 10.708 3.608 10.545 1.00 0.00 N ATOM 1244 CA PRO A 78 11.092 2.327 9.944 1.00 0.00 C ATOM 1245 C PRO A 78 10.360 2.054 8.629 1.00 0.00 C ATOM 1246 O PRO A 78 9.666 1.050 8.491 1.00 0.00 O ATOM 1247 CB PRO A 78 10.690 1.306 11.008 1.00 0.00 C ATOM 1248 CG PRO A 78 9.553 1.943 11.727 1.00 0.00 C ATOM 1249 CD PRO A 78 9.827 3.424 11.717 1.00 0.00 C ATOM 0 HA PRO A 78 12.150 2.298 9.684 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.394 0.359 10.557 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.517 1.092 11.685 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.607 1.719 11.235 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.478 1.568 12.748 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.907 4.001 11.621 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.312 3.748 12.638 1.00 0.00 H new ATOM 1257 N GLY A 79 10.529 2.956 7.660 1.00 0.00 N ATOM 1258 CA GLY A 79 9.884 2.787 6.368 1.00 0.00 C ATOM 1259 C GLY A 79 10.472 1.634 5.586 1.00 0.00 C ATOM 1260 O GLY A 79 11.554 1.751 5.010 1.00 0.00 O ATOM 0 H GLY A 79 11.099 3.797 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.817 2.618 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.985 3.706 5.790 1.00 0.00 H new ATOM 1264 N ILE A 80 9.752 0.519 5.561 1.00 0.00 N ATOM 1265 CA ILE A 80 10.196 -0.663 4.849 1.00 0.00 C ATOM 1266 C ILE A 80 9.145 -1.778 4.972 1.00 0.00 C ATOM 1267 O ILE A 80 7.986 -1.503 5.284 1.00 0.00 O ATOM 1268 CB ILE A 80 11.584 -1.128 5.374 1.00 0.00 C ATOM 1269 CG1 ILE A 80 12.341 -1.969 4.333 1.00 0.00 C ATOM 1270 CG2 ILE A 80 11.449 -1.891 6.687 1.00 0.00 C ATOM 1271 CD1 ILE A 80 12.086 -1.571 2.893 1.00 0.00 C ATOM 0 H ILE A 80 8.853 0.413 6.030 1.00 0.00 H new ATOM 0 HA ILE A 80 10.309 -0.420 3.792 1.00 0.00 H new ATOM 0 HB ILE A 80 12.171 -0.229 5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 80 13.410 -1.894 4.533 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.065 -3.016 4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.436 -2.203 7.029 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.992 -1.246 7.437 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.823 -2.770 6.534 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.661 -2.217 2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.024 -1.674 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.390 -0.535 2.743 1.00 0.00 H new ATOM 1283 N ALA A 81 9.540 -3.025 4.718 1.00 0.00 N ATOM 1284 CA ALA A 81 8.622 -4.155 4.794 1.00 0.00 C ATOM 1285 C ALA A 81 7.725 -4.198 3.570 1.00 0.00 C ATOM 1286 O ALA A 81 6.546 -3.853 3.629 1.00 0.00 O ATOM 1287 CB ALA A 81 7.789 -4.099 6.065 1.00 0.00 C ATOM 0 H ALA A 81 10.494 -3.276 4.457 1.00 0.00 H new ATOM 0 HA ALA A 81 9.216 -5.069 4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.113 -4.954 6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.448 -4.126 6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.208 -3.177 6.079 1.00 0.00 H new ATOM 1293 N VAL A 82 8.297 -4.621 2.458 1.00 0.00 N ATOM 1294 CA VAL A 82 7.561 -4.713 1.214 1.00 0.00 C ATOM 1295 C VAL A 82 8.188 -5.755 0.311 1.00 0.00 C ATOM 1296 O VAL A 82 9.410 -5.843 0.198 1.00 0.00 O ATOM 1297 CB VAL A 82 7.512 -3.360 0.479 1.00 0.00 C ATOM 1298 CG1 VAL A 82 8.915 -2.815 0.265 1.00 0.00 C ATOM 1299 CG2 VAL A 82 6.776 -3.494 -0.847 1.00 0.00 C ATOM 0 H VAL A 82 9.274 -4.907 2.393 1.00 0.00 H new ATOM 0 HA VAL A 82 6.540 -5.004 1.460 1.00 0.00 H new ATOM 0 HB VAL A 82 6.964 -2.653 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.858 -1.859 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.402 -2.674 1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.492 -3.520 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.753 -2.527 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.291 -4.219 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.756 -3.832 -0.664 1.00 0.00 H new ATOM 1309 N GLU A 83 7.346 -6.542 -0.330 1.00 0.00 N ATOM 1310 CA GLU A 83 7.821 -7.578 -1.225 1.00 0.00 C ATOM 1311 C GLU A 83 6.835 -7.809 -2.346 1.00 0.00 C ATOM 1312 O GLU A 83 5.640 -7.553 -2.203 1.00 0.00 O ATOM 1313 CB GLU A 83 8.037 -8.884 -0.468 1.00 0.00 C ATOM 1314 CG GLU A 83 8.847 -8.722 0.802 1.00 0.00 C ATOM 1315 CD GLU A 83 9.095 -10.041 1.504 1.00 0.00 C ATOM 1316 OE1 GLU A 83 9.669 -10.951 0.870 1.00 0.00 O ATOM 1317 OE2 GLU A 83 8.712 -10.165 2.685 1.00 0.00 O ATOM 0 H GLU A 83 6.331 -6.484 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 83 8.770 -7.245 -1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.067 -9.314 -0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.542 -9.595 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.803 -8.256 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.324 -8.046 1.479 1.00 0.00 H new ATOM 1324 N THR A 84 7.334 -8.312 -3.457 1.00 0.00 N ATOM 1325 CA THR A 84 6.486 -8.594 -4.592 1.00 0.00 C ATOM 1326 C THR A 84 6.693 -10.019 -5.069 1.00 0.00 C ATOM 1327 O THR A 84 7.310 -10.838 -4.389 1.00 0.00 O ATOM 1328 CB THR A 84 6.749 -7.609 -5.734 1.00 0.00 C ATOM 1329 OG1 THR A 84 5.726 -7.713 -6.719 1.00 0.00 O ATOM 1330 CG2 THR A 84 8.094 -7.812 -6.414 1.00 0.00 C ATOM 0 H THR A 84 8.320 -8.533 -3.596 1.00 0.00 H new ATOM 0 HA THR A 84 5.450 -8.477 -4.274 1.00 0.00 H new ATOM 0 HB THR A 84 6.756 -6.620 -5.277 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.904 -7.077 -7.443 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.212 -7.080 -7.213 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.894 -7.685 -5.684 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.142 -8.817 -6.833 1.00 0.00 H new ATOM 1338 N VAL A 85 6.168 -10.296 -6.243 1.00 0.00 N ATOM 1339 CA VAL A 85 6.273 -11.611 -6.844 1.00 0.00 C ATOM 1340 C VAL A 85 7.691 -11.886 -7.335 1.00 0.00 C ATOM 1341 O VAL A 85 8.186 -11.221 -8.246 1.00 0.00 O ATOM 1342 CB VAL A 85 5.290 -11.742 -8.015 1.00 0.00 C ATOM 1343 CG1 VAL A 85 3.869 -11.884 -7.491 1.00 0.00 C ATOM 1344 CG2 VAL A 85 5.403 -10.538 -8.939 1.00 0.00 C ATOM 0 H VAL A 85 5.657 -9.618 -6.808 1.00 0.00 H new ATOM 0 HA VAL A 85 6.025 -12.345 -6.077 1.00 0.00 H new ATOM 0 HB VAL A 85 5.540 -12.636 -8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.179 -11.976 -8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.799 -12.773 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.609 -11.004 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.700 -10.646 -9.765 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.173 -9.629 -8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.418 -10.475 -9.333 1.00 0.00 H new ATOM 1354 N THR A 86 8.337 -12.873 -6.719 1.00 0.00 N ATOM 1355 CA THR A 86 9.702 -13.254 -7.076 1.00 0.00 C ATOM 1356 C THR A 86 9.794 -13.713 -8.533 1.00 0.00 C ATOM 1357 O THR A 86 10.759 -13.400 -9.231 1.00 0.00 O ATOM 1358 CB THR A 86 10.197 -14.368 -6.146 1.00 0.00 C ATOM 1359 OG1 THR A 86 9.693 -14.186 -4.833 1.00 0.00 O ATOM 1360 CG2 THR A 86 11.706 -14.449 -6.047 1.00 0.00 C ATOM 0 H THR A 86 7.933 -13.428 -5.964 1.00 0.00 H new ATOM 0 HA THR A 86 10.335 -12.374 -6.960 1.00 0.00 H new ATOM 0 HB THR A 86 9.830 -15.293 -6.590 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.018 -14.907 -4.255 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.983 -15.259 -5.372 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.126 -14.639 -7.035 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.096 -13.507 -5.662 1.00 0.00 H new ATOM 1368 N ASP A 87 8.791 -14.461 -8.986 1.00 0.00 N ATOM 1369 CA ASP A 87 8.766 -14.965 -10.359 1.00 0.00 C ATOM 1370 C ASP A 87 7.910 -14.090 -11.278 1.00 0.00 C ATOM 1371 O ASP A 87 7.504 -14.527 -12.354 1.00 0.00 O ATOM 1372 CB ASP A 87 8.239 -16.400 -10.381 1.00 0.00 C ATOM 1373 CG ASP A 87 8.559 -17.118 -11.678 1.00 0.00 C ATOM 1374 OD1 ASP A 87 7.791 -16.958 -12.650 1.00 0.00 O ATOM 1375 OD2 ASP A 87 9.575 -17.844 -11.720 1.00 0.00 O ATOM 0 H ASP A 87 7.984 -14.732 -8.424 1.00 0.00 H new ATOM 0 HA ASP A 87 9.790 -14.939 -10.733 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.670 -16.954 -9.547 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.159 -16.389 -10.233 1.00 0.00 H new ATOM 1380 N SER A 88 7.633 -12.857 -10.855 1.00 0.00 N ATOM 1381 CA SER A 88 6.821 -11.939 -11.656 1.00 0.00 C ATOM 1382 C SER A 88 5.380 -12.434 -11.770 1.00 0.00 C ATOM 1383 O SER A 88 5.137 -13.633 -11.903 1.00 0.00 O ATOM 1384 CB SER A 88 7.415 -11.776 -13.054 1.00 0.00 C ATOM 1385 OG SER A 88 7.009 -10.551 -13.640 1.00 0.00 O ATOM 0 H SER A 88 7.956 -12.472 -9.968 1.00 0.00 H new ATOM 0 HA SER A 88 6.821 -10.974 -11.150 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.503 -11.813 -12.997 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.101 -12.607 -13.686 1.00 0.00 H new ATOM 0 HG SER A 88 7.403 -10.469 -14.533 1.00 0.00 H new ATOM 1391 N SER A 89 4.429 -11.502 -11.722 1.00 0.00 N ATOM 1392 CA SER A 89 3.015 -11.841 -11.821 1.00 0.00 C ATOM 1393 C SER A 89 2.144 -10.600 -11.658 1.00 0.00 C ATOM 1394 O SER A 89 2.642 -9.496 -11.434 1.00 0.00 O ATOM 1395 CB SER A 89 2.634 -12.882 -10.768 1.00 0.00 C ATOM 1396 OG SER A 89 2.873 -14.195 -11.235 1.00 0.00 O ATOM 0 H SER A 89 4.615 -10.505 -11.615 1.00 0.00 H new ATOM 0 HA SER A 89 2.843 -12.261 -12.812 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.207 -12.708 -9.857 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.581 -12.772 -10.509 1.00 0.00 H new ATOM 0 HG SER A 89 3.617 -14.185 -11.872 1.00 0.00 H new ATOM 1402 N ARG A 90 0.839 -10.795 -11.778 1.00 0.00 N ATOM 1403 CA ARG A 90 -0.128 -9.711 -11.656 1.00 0.00 C ATOM 1404 C ARG A 90 -0.511 -9.452 -10.200 1.00 0.00 C ATOM 1405 O ARG A 90 -1.656 -9.106 -9.909 1.00 0.00 O ATOM 1406 CB ARG A 90 -1.374 -10.034 -12.483 1.00 0.00 C ATOM 1407 CG ARG A 90 -1.059 -10.407 -13.927 1.00 0.00 C ATOM 1408 CD ARG A 90 -1.485 -11.832 -14.253 1.00 0.00 C ATOM 1409 NE ARG A 90 -0.842 -12.810 -13.378 1.00 0.00 N ATOM 1410 CZ ARG A 90 -1.329 -14.022 -13.133 1.00 0.00 C ATOM 1411 NH1 ARG A 90 -2.409 -14.446 -13.774 1.00 0.00 N ATOM 1412 NH2 ARG A 90 -0.722 -14.819 -12.262 1.00 0.00 N ATOM 0 H ARG A 90 0.420 -11.707 -11.962 1.00 0.00 H new ATOM 0 HA ARG A 90 0.337 -8.802 -12.037 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.911 -10.857 -12.011 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.041 -9.172 -12.475 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.565 -9.714 -14.599 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.011 -10.299 -14.104 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.568 -11.917 -14.158 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.237 -12.056 -15.291 1.00 0.00 H new ATOM 0 HE ARG A 90 0.034 -12.546 -12.928 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.867 -13.842 -14.456 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.782 -15.376 -13.585 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.119 -14.501 -11.780 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.097 -15.749 -12.075 1.00 0.00 H new ATOM 1426 N TYR A 91 0.442 -9.619 -9.287 1.00 0.00 N ATOM 1427 CA TYR A 91 0.183 -9.398 -7.869 1.00 0.00 C ATOM 1428 C TYR A 91 1.431 -8.873 -7.158 1.00 0.00 C ATOM 1429 O TYR A 91 2.539 -8.950 -7.688 1.00 0.00 O ATOM 1430 CB TYR A 91 -0.301 -10.701 -7.213 1.00 0.00 C ATOM 1431 CG TYR A 91 -0.217 -10.699 -5.699 1.00 0.00 C ATOM 1432 CD1 TYR A 91 0.972 -11.007 -5.051 1.00 0.00 C ATOM 1433 CD2 TYR A 91 -1.325 -10.382 -4.921 1.00 0.00 C ATOM 1434 CE1 TYR A 91 1.056 -11.002 -3.671 1.00 0.00 C ATOM 1435 CE2 TYR A 91 -1.248 -10.373 -3.541 1.00 0.00 C ATOM 1436 CZ TYR A 91 -0.055 -10.685 -2.921 1.00 0.00 C ATOM 1437 OH TYR A 91 0.027 -10.675 -1.547 1.00 0.00 O ATOM 0 H TYR A 91 1.397 -9.906 -9.503 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.598 -8.643 -7.776 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.334 -10.882 -7.509 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.291 -11.531 -7.598 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.846 -11.255 -5.635 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.261 -10.139 -5.403 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.988 -11.246 -3.183 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.117 -10.123 -2.951 1.00 0.00 H new ATOM 0 HH TYR A 91 0.730 -11.293 -1.257 1.00 0.00 H new ATOM 1447 N PHE A 92 1.236 -8.335 -5.955 1.00 0.00 N ATOM 1448 CA PHE A 92 2.338 -7.791 -5.164 1.00 0.00 C ATOM 1449 C PHE A 92 1.984 -7.762 -3.676 1.00 0.00 C ATOM 1450 O PHE A 92 0.826 -7.949 -3.298 1.00 0.00 O ATOM 1451 CB PHE A 92 2.690 -6.380 -5.647 1.00 0.00 C ATOM 1452 CG PHE A 92 1.513 -5.625 -6.192 1.00 0.00 C ATOM 1453 CD1 PHE A 92 1.153 -5.735 -7.526 1.00 0.00 C ATOM 1454 CD2 PHE A 92 0.763 -4.811 -5.365 1.00 0.00 C ATOM 1455 CE1 PHE A 92 0.064 -5.043 -8.024 1.00 0.00 C ATOM 1456 CE2 PHE A 92 -0.329 -4.116 -5.855 1.00 0.00 C ATOM 1457 CZ PHE A 92 -0.677 -4.233 -7.187 1.00 0.00 C ATOM 0 H PHE A 92 0.323 -8.264 -5.506 1.00 0.00 H new ATOM 0 HA PHE A 92 3.203 -8.441 -5.297 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.121 -5.818 -4.819 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.457 -6.449 -6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.729 -6.368 -8.184 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.032 -4.716 -4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.206 -5.136 -9.066 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.908 -3.484 -5.198 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.528 -3.691 -7.573 1.00 0.00 H new ATOM 1467 N VAL A 93 2.990 -7.524 -2.836 1.00 0.00 N ATOM 1468 CA VAL A 93 2.795 -7.467 -1.388 1.00 0.00 C ATOM 1469 C VAL A 93 3.317 -6.145 -0.830 1.00 0.00 C ATOM 1470 O VAL A 93 4.363 -5.655 -1.252 1.00 0.00 O ATOM 1471 CB VAL A 93 3.505 -8.635 -0.661 1.00 0.00 C ATOM 1472 CG1 VAL A 93 2.899 -8.855 0.717 1.00 0.00 C ATOM 1473 CG2 VAL A 93 3.435 -9.916 -1.485 1.00 0.00 C ATOM 0 H VAL A 93 3.952 -7.367 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 93 1.723 -7.550 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 93 4.555 -8.367 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.411 -9.680 1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.010 -7.949 1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.840 -9.094 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.941 -10.720 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.392 -10.188 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.922 -9.757 -2.447 1.00 0.00 H new ATOM 1483 N ILE A 94 2.583 -5.572 0.119 1.00 0.00 N ATOM 1484 CA ILE A 94 2.977 -4.308 0.728 1.00 0.00 C ATOM 1485 C ILE A 94 2.790 -4.371 2.229 1.00 0.00 C ATOM 1486 O ILE A 94 1.821 -4.946 2.720 1.00 0.00 O ATOM 1487 CB ILE A 94 2.172 -3.124 0.163 1.00 0.00 C ATOM 1488 CG1 ILE A 94 2.608 -1.806 0.820 1.00 0.00 C ATOM 1489 CG2 ILE A 94 0.681 -3.360 0.352 1.00 0.00 C ATOM 1490 CD1 ILE A 94 1.940 -1.522 2.154 1.00 0.00 C ATOM 0 H ILE A 94 1.714 -5.963 0.482 1.00 0.00 H new ATOM 0 HA ILE A 94 4.029 -4.148 0.491 1.00 0.00 H new ATOM 0 HB ILE A 94 2.373 -3.047 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.688 -1.826 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.393 -0.984 0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.125 -2.514 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.388 -4.271 -0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.461 -3.464 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.304 -0.573 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.860 -1.467 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.176 -2.321 2.856 1.00 0.00 H new ATOM 1502 N ARG A 95 3.735 -3.804 2.960 1.00 0.00 N ATOM 1503 CA ARG A 95 3.675 -3.830 4.411 1.00 0.00 C ATOM 1504 C ARG A 95 4.283 -2.564 5.012 1.00 0.00 C ATOM 1505 O ARG A 95 4.852 -1.738 4.301 1.00 0.00 O ATOM 1506 CB ARG A 95 4.402 -5.080 4.935 1.00 0.00 C ATOM 1507 CG ARG A 95 4.256 -6.307 4.033 1.00 0.00 C ATOM 1508 CD ARG A 95 5.572 -7.034 3.838 1.00 0.00 C ATOM 1509 NE ARG A 95 5.451 -8.448 4.178 1.00 0.00 N ATOM 1510 CZ ARG A 95 6.315 -9.104 4.948 1.00 0.00 C ATOM 1511 NH1 ARG A 95 7.413 -8.504 5.390 1.00 0.00 N ATOM 1512 NH2 ARG A 95 6.089 -10.371 5.260 1.00 0.00 N ATOM 0 H ARG A 95 4.548 -3.323 2.575 1.00 0.00 H new ATOM 0 HA ARG A 95 2.629 -3.869 4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.461 -4.850 5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 95 4.019 -5.322 5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.526 -6.990 4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.866 -5.998 3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.896 -6.933 2.802 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.340 -6.573 4.459 1.00 0.00 H new ATOM 0 HE ARG A 95 4.656 -8.965 3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.599 -7.533 5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.070 -9.014 5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.254 -10.841 4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.750 -10.877 5.850 1.00 0.00 H new ATOM 1526 N ILE A 96 4.154 -2.422 6.328 1.00 0.00 N ATOM 1527 CA ILE A 96 4.690 -1.265 7.035 1.00 0.00 C ATOM 1528 C ILE A 96 5.387 -1.703 8.324 1.00 0.00 C ATOM 1529 O ILE A 96 5.095 -2.768 8.861 1.00 0.00 O ATOM 1530 CB ILE A 96 3.585 -0.237 7.378 1.00 0.00 C ATOM 1531 CG1 ILE A 96 2.633 -0.030 6.191 1.00 0.00 C ATOM 1532 CG2 ILE A 96 4.203 1.091 7.787 1.00 0.00 C ATOM 1533 CD1 ILE A 96 1.297 0.576 6.580 1.00 0.00 C ATOM 0 H ILE A 96 3.681 -3.098 6.928 1.00 0.00 H new ATOM 0 HA ILE A 96 5.409 -0.787 6.369 1.00 0.00 H new ATOM 0 HB ILE A 96 3.009 -0.633 8.214 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.116 0.616 5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.459 -0.990 5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.412 1.802 8.025 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.834 0.944 8.663 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.806 1.480 6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.678 0.693 5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.793 -0.080 7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.460 1.551 7.039 1.00 0.00 H new ATOM 1545 N GLN A 97 6.294 -0.861 8.818 1.00 0.00 N ATOM 1546 CA GLN A 97 7.029 -1.146 10.055 1.00 0.00 C ATOM 1547 C GLN A 97 6.882 0.003 11.052 1.00 0.00 C ATOM 1548 O GLN A 97 6.514 1.115 10.675 1.00 0.00 O ATOM 1549 CB GLN A 97 8.518 -1.368 9.760 1.00 0.00 C ATOM 1550 CG GLN A 97 8.933 -2.830 9.648 1.00 0.00 C ATOM 1551 CD GLN A 97 9.235 -3.485 10.989 1.00 0.00 C ATOM 1552 OE1 GLN A 97 9.402 -2.682 12.040 1.00 0.00 O flip ATOM 1553 NE2 GLN A 97 9.332 -4.707 11.081 1.00 0.00 N flip ATOM 0 H GLN A 97 6.540 0.027 8.381 1.00 0.00 H new ATOM 0 HA GLN A 97 6.607 -2.053 10.489 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.770 -0.860 8.829 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.105 -0.897 10.548 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.138 -3.387 9.152 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.816 -2.900 9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.198 -5.293 10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 97 9.546 -5.135 11.982 1.00 0.00 H new ATOM 1562 N ASP A 98 7.184 -0.267 12.322 1.00 0.00 N ATOM 1563 CA ASP A 98 7.092 0.757 13.360 1.00 0.00 C ATOM 1564 C ASP A 98 7.750 0.306 14.661 1.00 0.00 C ATOM 1565 O ASP A 98 7.411 -0.741 15.211 1.00 0.00 O ATOM 1566 CB ASP A 98 5.635 1.124 13.625 1.00 0.00 C ATOM 1567 CG ASP A 98 5.507 2.255 14.624 1.00 0.00 C ATOM 1568 OD1 ASP A 98 6.515 2.954 14.852 1.00 0.00 O ATOM 1569 OD2 ASP A 98 4.404 2.443 15.175 1.00 0.00 O ATOM 0 H ASP A 98 7.493 -1.181 12.654 1.00 0.00 H new ATOM 0 HA ASP A 98 7.626 1.634 12.994 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.158 1.412 12.688 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.103 0.249 13.998 1.00 0.00 H new ATOM 1574 N GLY A 99 8.683 1.115 15.156 1.00 0.00 N ATOM 1575 CA GLY A 99 9.363 0.795 16.397 1.00 0.00 C ATOM 1576 C GLY A 99 10.569 -0.103 16.208 1.00 0.00 C ATOM 1577 O GLY A 99 11.379 -0.246 17.123 1.00 0.00 O ATOM 0 H GLY A 99 8.980 1.987 14.718 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.680 1.720 16.878 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.660 0.309 17.073 1.00 0.00 H new ATOM 1581 N THR A 100 10.676 -0.732 15.037 1.00 0.00 N ATOM 1582 CA THR A 100 11.779 -1.645 14.748 1.00 0.00 C ATOM 1583 C THR A 100 11.481 -3.023 15.326 1.00 0.00 C ATOM 1584 O THR A 100 12.373 -3.716 15.813 1.00 0.00 O ATOM 1585 CB THR A 100 13.101 -1.120 15.312 1.00 0.00 C ATOM 1586 OG1 THR A 100 13.227 0.273 15.090 1.00 0.00 O ATOM 1587 CG2 THR A 100 14.305 -1.797 14.701 1.00 0.00 C ATOM 0 H THR A 100 10.010 -0.624 14.272 1.00 0.00 H new ATOM 0 HA THR A 100 11.878 -1.718 13.665 1.00 0.00 H new ATOM 0 HB THR A 100 13.076 -1.341 16.379 1.00 0.00 H new ATOM 0 HG1 THR A 100 14.078 0.588 15.460 1.00 0.00 H new ATOM 0 HG21 THR A 100 15.215 -1.385 15.138 1.00 0.00 H new ATOM 0 HG22 THR A 100 14.260 -2.868 14.899 1.00 0.00 H new ATOM 0 HG23 THR A 100 14.311 -1.627 13.624 1.00 0.00 H new ATOM 1595 N GLY A 101 10.209 -3.405 15.271 1.00 0.00 N ATOM 1596 CA GLY A 101 9.798 -4.693 15.792 1.00 0.00 C ATOM 1597 C GLY A 101 8.353 -5.030 15.471 1.00 0.00 C ATOM 1598 O GLY A 101 7.985 -6.203 15.417 1.00 0.00 O ATOM 0 H GLY A 101 9.456 -2.844 14.874 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.446 -5.468 15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.936 -4.702 16.873 1.00 0.00 H new ATOM 1602 N ARG A 102 7.529 -4.008 15.257 1.00 0.00 N ATOM 1603 CA ARG A 102 6.125 -4.224 14.939 1.00 0.00 C ATOM 1604 C ARG A 102 5.824 -3.805 13.507 1.00 0.00 C ATOM 1605 O ARG A 102 6.027 -2.651 13.130 1.00 0.00 O ATOM 1606 CB ARG A 102 5.235 -3.458 15.914 1.00 0.00 C ATOM 1607 CG ARG A 102 5.413 -3.894 17.357 1.00 0.00 C ATOM 1608 CD ARG A 102 4.867 -5.295 17.579 1.00 0.00 C ATOM 1609 NE ARG A 102 3.406 -5.316 17.569 1.00 0.00 N ATOM 1610 CZ ARG A 102 2.675 -6.212 16.904 1.00 0.00 C ATOM 1611 NH1 ARG A 102 3.258 -7.178 16.204 1.00 0.00 N ATOM 1612 NH2 ARG A 102 1.351 -6.141 16.944 1.00 0.00 N ATOM 0 H ARG A 102 7.809 -3.028 15.298 1.00 0.00 H new ATOM 0 HA ARG A 102 5.914 -5.289 15.035 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.452 -2.393 15.834 1.00 0.00 H new ATOM 0 HB3 ARG A 102 4.192 -3.593 15.627 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.470 -3.867 17.620 1.00 0.00 H new ATOM 0 HG3 ARG A 102 4.902 -3.193 18.017 1.00 0.00 H new ATOM 0 HD2 ARG A 102 5.245 -5.960 16.802 1.00 0.00 H new ATOM 0 HD3 ARG A 102 5.230 -5.680 18.532 1.00 0.00 H new ATOM 0 HE ARG A 102 2.914 -4.600 18.104 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.276 -7.241 16.171 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.688 -7.857 15.700 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.896 -5.403 17.482 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.788 -6.824 16.437 1.00 0.00 H new ATOM 1626 N SER A 103 5.348 -4.758 12.714 1.00 0.00 N ATOM 1627 CA SER A 103 5.026 -4.502 11.315 1.00 0.00 C ATOM 1628 C SER A 103 3.840 -5.354 10.860 1.00 0.00 C ATOM 1629 O SER A 103 3.706 -6.510 11.261 1.00 0.00 O ATOM 1630 CB SER A 103 6.256 -4.792 10.441 1.00 0.00 C ATOM 1631 OG SER A 103 6.073 -5.951 9.642 1.00 0.00 O ATOM 0 H SER A 103 5.176 -5.717 13.017 1.00 0.00 H new ATOM 0 HA SER A 103 4.746 -3.454 11.209 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.455 -3.935 9.798 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.131 -4.923 11.077 1.00 0.00 H new ATOM 0 HG SER A 103 6.874 -6.104 9.099 1.00 0.00 H new ATOM 1637 N ALA A 104 2.992 -4.777 10.011 1.00 0.00 N ATOM 1638 CA ALA A 104 1.826 -5.481 9.488 1.00 0.00 C ATOM 1639 C ALA A 104 2.022 -5.800 8.010 1.00 0.00 C ATOM 1640 O ALA A 104 2.437 -4.936 7.237 1.00 0.00 O ATOM 1641 CB ALA A 104 0.571 -4.640 9.679 1.00 0.00 C ATOM 0 H ALA A 104 3.092 -3.821 9.671 1.00 0.00 H new ATOM 0 HA ALA A 104 1.709 -6.415 10.037 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.291 -5.178 9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.422 -4.445 10.741 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.683 -3.694 9.149 1.00 0.00 H new ATOM 1647 N PHE A 105 1.732 -7.043 7.624 1.00 0.00 N ATOM 1648 CA PHE A 105 1.893 -7.476 6.236 1.00 0.00 C ATOM 1649 C PHE A 105 0.538 -7.698 5.565 1.00 0.00 C ATOM 1650 O PHE A 105 -0.428 -8.082 6.220 1.00 0.00 O ATOM 1651 CB PHE A 105 2.739 -8.756 6.178 1.00 0.00 C ATOM 1652 CG PHE A 105 1.941 -10.031 6.222 1.00 0.00 C ATOM 1653 CD1 PHE A 105 1.337 -10.524 5.077 1.00 0.00 C ATOM 1654 CD2 PHE A 105 1.798 -10.734 7.407 1.00 0.00 C ATOM 1655 CE1 PHE A 105 0.607 -11.693 5.112 1.00 0.00 C ATOM 1656 CE2 PHE A 105 1.068 -11.905 7.449 1.00 0.00 C ATOM 1657 CZ PHE A 105 0.472 -12.387 6.299 1.00 0.00 C ATOM 0 H PHE A 105 1.385 -7.767 8.253 1.00 0.00 H new ATOM 0 HA PHE A 105 2.409 -6.686 5.690 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.332 -8.744 5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.440 -8.752 7.012 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.439 -9.986 4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 105 2.263 -10.362 8.308 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.141 -12.066 4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.963 -12.444 8.379 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.098 -13.304 6.328 1.00 0.00 H new ATOM 1667 N ILE A 106 0.476 -7.453 4.255 1.00 0.00 N ATOM 1668 CA ILE A 106 -0.756 -7.617 3.493 1.00 0.00 C ATOM 1669 C ILE A 106 -0.445 -7.690 2.002 1.00 0.00 C ATOM 1670 O ILE A 106 0.642 -7.307 1.570 1.00 0.00 O ATOM 1671 CB ILE A 106 -1.740 -6.444 3.728 1.00 0.00 C ATOM 1672 CG1 ILE A 106 -0.974 -5.142 3.979 1.00 0.00 C ATOM 1673 CG2 ILE A 106 -2.691 -6.747 4.880 1.00 0.00 C ATOM 1674 CD1 ILE A 106 -1.222 -4.090 2.922 1.00 0.00 C ATOM 0 H ILE A 106 1.272 -7.138 3.700 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.221 -8.542 3.834 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.340 -6.320 2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.258 -4.743 4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.093 -5.359 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.370 -5.906 5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.267 -7.644 4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.117 -6.908 5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.650 -3.193 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.911 -4.471 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.284 -3.846 2.894 1.00 0.00 H new ATOM 1686 N GLY A 107 -1.398 -8.177 1.219 1.00 0.00 N ATOM 1687 CA GLY A 107 -1.191 -8.277 -0.212 1.00 0.00 C ATOM 1688 C GLY A 107 -2.127 -7.380 -0.994 1.00 0.00 C ATOM 1689 O GLY A 107 -3.223 -7.070 -0.533 1.00 0.00 O ATOM 0 H GLY A 107 -2.307 -8.503 1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.160 -8.014 -0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.336 -9.311 -0.526 1.00 0.00 H new ATOM 1693 N ILE A 108 -1.697 -6.958 -2.178 1.00 0.00 N ATOM 1694 CA ILE A 108 -2.519 -6.092 -3.018 1.00 0.00 C ATOM 1695 C ILE A 108 -2.297 -6.376 -4.496 1.00 0.00 C ATOM 1696 O ILE A 108 -1.193 -6.725 -4.913 1.00 0.00 O ATOM 1697 CB ILE A 108 -2.243 -4.601 -2.754 1.00 0.00 C ATOM 1698 CG1 ILE A 108 -0.777 -4.378 -2.401 1.00 0.00 C ATOM 1699 CG2 ILE A 108 -3.138 -4.092 -1.642 1.00 0.00 C ATOM 1700 CD1 ILE A 108 -0.298 -2.981 -2.723 1.00 0.00 C ATOM 0 H ILE A 108 -0.790 -7.199 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.554 -6.312 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.463 -4.043 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.632 -4.570 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.165 -5.100 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.933 -3.036 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -4.182 -4.216 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.943 -4.657 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.753 -2.884 -2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.413 -2.794 -3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.887 -2.256 -2.162 1.00 0.00 H new ATOM 1712 N GLY A 109 -3.354 -6.224 -5.290 1.00 0.00 N ATOM 1713 CA GLY A 109 -3.246 -6.472 -6.715 1.00 0.00 C ATOM 1714 C GLY A 109 -4.526 -6.170 -7.463 1.00 0.00 C ATOM 1715 O GLY A 109 -5.377 -5.419 -6.984 1.00 0.00 O ATOM 0 H GLY A 109 -4.279 -5.935 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.439 -5.864 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.973 -7.515 -6.878 1.00 0.00 H new ATOM 1719 N PHE A 110 -4.650 -6.747 -8.649 1.00 0.00 N ATOM 1720 CA PHE A 110 -5.824 -6.535 -9.480 1.00 0.00 C ATOM 1721 C PHE A 110 -6.015 -7.682 -10.459 1.00 0.00 C ATOM 1722 O PHE A 110 -5.076 -8.412 -10.773 1.00 0.00 O ATOM 1723 CB PHE A 110 -5.685 -5.225 -10.252 1.00 0.00 C ATOM 1724 CG PHE A 110 -5.728 -4.010 -9.377 1.00 0.00 C ATOM 1725 CD1 PHE A 110 -6.938 -3.508 -8.932 1.00 0.00 C ATOM 1726 CD2 PHE A 110 -4.556 -3.369 -9.002 1.00 0.00 C ATOM 1727 CE1 PHE A 110 -6.980 -2.388 -8.130 1.00 0.00 C ATOM 1728 CE2 PHE A 110 -4.593 -2.247 -8.200 1.00 0.00 C ATOM 1729 CZ PHE A 110 -5.805 -1.757 -7.765 1.00 0.00 C ATOM 0 H PHE A 110 -3.950 -7.367 -9.057 1.00 0.00 H new ATOM 0 HA PHE A 110 -6.696 -6.487 -8.828 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.744 -5.234 -10.802 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -6.485 -5.160 -10.990 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.858 -3.998 -9.216 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.605 -3.752 -9.341 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -7.929 -2.004 -7.787 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.675 -1.755 -7.914 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.837 -0.878 -7.138 1.00 0.00 H new ATOM 1739 N THR A 111 -7.239 -7.820 -10.953 1.00 0.00 N ATOM 1740 CA THR A 111 -7.564 -8.860 -11.916 1.00 0.00 C ATOM 1741 C THR A 111 -6.801 -8.649 -13.228 1.00 0.00 C ATOM 1742 O THR A 111 -6.828 -9.504 -14.114 1.00 0.00 O ATOM 1743 CB THR A 111 -9.070 -8.872 -12.179 1.00 0.00 C ATOM 1744 OG1 THR A 111 -9.620 -7.580 -11.989 1.00 0.00 O ATOM 1745 CG2 THR A 111 -9.828 -9.826 -11.279 1.00 0.00 C ATOM 0 H THR A 111 -8.025 -7.221 -10.700 1.00 0.00 H new ATOM 0 HA THR A 111 -7.264 -9.822 -11.500 1.00 0.00 H new ATOM 0 HB THR A 111 -9.181 -9.204 -13.211 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.584 -7.606 -12.163 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.891 -9.785 -11.518 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.460 -10.841 -11.432 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.679 -9.540 -10.238 1.00 0.00 H new ATOM 1753 N ASP A 112 -6.114 -7.509 -13.341 1.00 0.00 N ATOM 1754 CA ASP A 112 -5.341 -7.192 -14.536 1.00 0.00 C ATOM 1755 C ASP A 112 -4.158 -6.286 -14.194 1.00 0.00 C ATOM 1756 O ASP A 112 -4.039 -5.802 -13.068 1.00 0.00 O ATOM 1757 CB ASP A 112 -6.230 -6.513 -15.581 1.00 0.00 C ATOM 1758 CG ASP A 112 -6.947 -5.293 -15.036 1.00 0.00 C ATOM 1759 OD1 ASP A 112 -6.265 -4.381 -14.522 1.00 0.00 O ATOM 1760 OD2 ASP A 112 -8.193 -5.244 -15.128 1.00 0.00 O ATOM 0 H ASP A 112 -6.080 -6.792 -12.616 1.00 0.00 H new ATOM 0 HA ASP A 112 -4.957 -8.125 -14.947 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.620 -6.219 -16.435 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -6.966 -7.229 -15.946 1.00 0.00 H new ATOM 1765 N ARG A 113 -3.292 -6.054 -15.177 1.00 0.00 N ATOM 1766 CA ARG A 113 -2.124 -5.198 -14.983 1.00 0.00 C ATOM 1767 C ARG A 113 -2.485 -3.724 -15.180 1.00 0.00 C ATOM 1768 O ARG A 113 -1.620 -2.851 -15.098 1.00 0.00 O ATOM 1769 CB ARG A 113 -1.004 -5.590 -15.953 1.00 0.00 C ATOM 1770 CG ARG A 113 0.109 -6.398 -15.303 1.00 0.00 C ATOM 1771 CD ARG A 113 1.483 -5.942 -15.774 1.00 0.00 C ATOM 1772 NE ARG A 113 2.445 -7.044 -15.805 1.00 0.00 N ATOM 1773 CZ ARG A 113 3.755 -6.895 -15.612 1.00 0.00 C ATOM 1774 NH1 ARG A 113 4.271 -5.692 -15.386 1.00 0.00 N ATOM 1775 NH2 ARG A 113 4.553 -7.952 -15.649 1.00 0.00 N ATOM 0 H ARG A 113 -3.376 -6.446 -16.115 1.00 0.00 H new ATOM 0 HA ARG A 113 -1.776 -5.337 -13.960 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.430 -6.168 -16.773 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.579 -4.686 -16.388 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.045 -6.300 -14.219 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.024 -7.454 -15.536 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.399 -5.506 -16.769 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.851 -5.158 -15.113 1.00 0.00 H new ATOM 0 HE ARG A 113 2.091 -7.984 -15.985 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.663 -4.873 -15.359 1.00 0.00 H new ATOM 0 HH12 ARG A 113 5.275 -5.587 -15.239 1.00 0.00 H new ATOM 0 HH21 ARG A 113 4.164 -8.878 -15.825 1.00 0.00 H new ATOM 0 HH22 ARG A 113 5.556 -7.839 -15.501 1.00 0.00 H new ATOM 1789 N GLY A 114 -3.762 -3.451 -15.440 1.00 0.00 N ATOM 1790 CA GLY A 114 -4.199 -2.083 -15.644 1.00 0.00 C ATOM 1791 C GLY A 114 -4.069 -1.241 -14.393 1.00 0.00 C ATOM 1792 O GLY A 114 -3.196 -0.378 -14.306 1.00 0.00 O ATOM 0 H GLY A 114 -4.499 -4.152 -15.513 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.611 -1.633 -16.444 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -5.238 -2.082 -15.973 1.00 0.00 H new ATOM 1796 N ASP A 115 -4.938 -1.491 -13.420 1.00 0.00 N ATOM 1797 CA ASP A 115 -4.911 -0.746 -12.168 1.00 0.00 C ATOM 1798 C ASP A 115 -3.546 -0.863 -11.498 1.00 0.00 C ATOM 1799 O ASP A 115 -3.087 0.071 -10.843 1.00 0.00 O ATOM 1800 CB ASP A 115 -6.014 -1.242 -11.228 1.00 0.00 C ATOM 1801 CG ASP A 115 -6.846 -0.110 -10.659 1.00 0.00 C ATOM 1802 OD1 ASP A 115 -6.253 0.834 -10.093 1.00 0.00 O ATOM 1803 OD2 ASP A 115 -8.087 -0.167 -10.774 1.00 0.00 O ATOM 0 H ASP A 115 -5.668 -2.202 -13.474 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.091 0.305 -12.391 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.664 -1.930 -11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.564 -1.804 -10.410 1.00 0.00 H new ATOM 1808 N ALA A 116 -2.894 -2.010 -11.672 1.00 0.00 N ATOM 1809 CA ALA A 116 -1.576 -2.237 -11.089 1.00 0.00 C ATOM 1810 C ALA A 116 -0.609 -1.115 -11.461 1.00 0.00 C ATOM 1811 O ALA A 116 -0.118 -0.394 -10.596 1.00 0.00 O ATOM 1812 CB ALA A 116 -1.032 -3.583 -11.542 1.00 0.00 C ATOM 0 H ALA A 116 -3.257 -2.796 -12.212 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.677 -2.243 -10.004 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.048 -3.744 -11.102 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.708 -4.375 -11.220 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.950 -3.595 -12.629 1.00 0.00 H new ATOM 1818 N PHE A 117 -0.343 -0.962 -12.752 1.00 0.00 N ATOM 1819 CA PHE A 117 0.562 0.084 -13.220 1.00 0.00 C ATOM 1820 C PHE A 117 0.139 1.445 -12.679 1.00 0.00 C ATOM 1821 O PHE A 117 0.909 2.125 -12.001 1.00 0.00 O ATOM 1822 CB PHE A 117 0.596 0.118 -14.753 1.00 0.00 C ATOM 1823 CG PHE A 117 1.437 1.232 -15.321 1.00 0.00 C ATOM 1824 CD1 PHE A 117 1.002 2.547 -15.259 1.00 0.00 C ATOM 1825 CD2 PHE A 117 2.659 0.963 -15.919 1.00 0.00 C ATOM 1826 CE1 PHE A 117 1.768 3.572 -15.778 1.00 0.00 C ATOM 1827 CE2 PHE A 117 3.431 1.986 -16.441 1.00 0.00 C ATOM 1828 CZ PHE A 117 2.984 3.291 -16.371 1.00 0.00 C ATOM 0 H PHE A 117 -0.737 -1.544 -13.491 1.00 0.00 H new ATOM 0 HA PHE A 117 1.562 -0.143 -12.850 1.00 0.00 H new ATOM 0 HB2 PHE A 117 0.978 -0.835 -15.119 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.423 0.218 -15.127 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.051 2.773 -14.799 1.00 0.00 H new ATOM 0 HD2 PHE A 117 3.012 -0.056 -15.978 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.417 4.592 -15.721 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.382 1.764 -16.903 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.584 4.091 -16.779 1.00 0.00 H new ATOM 1838 N ASP A 118 -1.092 1.838 -12.988 1.00 0.00 N ATOM 1839 CA ASP A 118 -1.620 3.118 -12.539 1.00 0.00 C ATOM 1840 C ASP A 118 -1.410 3.312 -11.036 1.00 0.00 C ATOM 1841 O ASP A 118 -0.837 4.311 -10.610 1.00 0.00 O ATOM 1842 CB ASP A 118 -3.106 3.229 -12.892 1.00 0.00 C ATOM 1843 CG ASP A 118 -3.353 4.141 -14.080 1.00 0.00 C ATOM 1844 OD1 ASP A 118 -2.539 5.064 -14.299 1.00 0.00 O ATOM 1845 OD2 ASP A 118 -4.357 3.932 -14.792 1.00 0.00 O ATOM 0 H ASP A 118 -1.742 1.287 -13.548 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.074 3.908 -13.054 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.499 2.236 -13.112 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.654 3.605 -12.028 1.00 0.00 H new ATOM 1850 N PHE A 119 -1.868 2.355 -10.232 1.00 0.00 N ATOM 1851 CA PHE A 119 -1.714 2.451 -8.782 1.00 0.00 C ATOM 1852 C PHE A 119 -0.234 2.468 -8.390 1.00 0.00 C ATOM 1853 O PHE A 119 0.157 3.160 -7.451 1.00 0.00 O ATOM 1854 CB PHE A 119 -2.451 1.295 -8.082 1.00 0.00 C ATOM 1855 CG PHE A 119 -1.576 0.436 -7.205 1.00 0.00 C ATOM 1856 CD1 PHE A 119 -0.719 -0.495 -7.762 1.00 0.00 C ATOM 1857 CD2 PHE A 119 -1.607 0.570 -5.829 1.00 0.00 C ATOM 1858 CE1 PHE A 119 0.094 -1.277 -6.968 1.00 0.00 C ATOM 1859 CE2 PHE A 119 -0.797 -0.213 -5.025 1.00 0.00 C ATOM 1860 CZ PHE A 119 0.054 -1.137 -5.597 1.00 0.00 C ATOM 0 H PHE A 119 -2.344 1.513 -10.555 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.160 3.390 -8.454 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -3.257 1.709 -7.476 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.914 0.664 -8.840 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.686 -0.612 -8.835 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -2.270 1.293 -5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 119 0.760 -1.997 -7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.831 -0.101 -3.951 1.00 0.00 H new ATOM 0 HZ PHE A 119 0.687 -1.749 -4.972 1.00 0.00 H new ATOM 1870 N ASN A 120 0.579 1.699 -9.107 1.00 0.00 N ATOM 1871 CA ASN A 120 2.011 1.624 -8.821 1.00 0.00 C ATOM 1872 C ASN A 120 2.657 3.008 -8.836 1.00 0.00 C ATOM 1873 O ASN A 120 3.281 3.421 -7.858 1.00 0.00 O ATOM 1874 CB ASN A 120 2.711 0.710 -9.832 1.00 0.00 C ATOM 1875 CG ASN A 120 3.585 -0.335 -9.163 1.00 0.00 C ATOM 1876 OD1 ASN A 120 3.878 -0.249 -7.971 1.00 0.00 O ATOM 1877 ND2 ASN A 120 4.005 -1.332 -9.934 1.00 0.00 N ATOM 0 H ASN A 120 0.274 1.119 -9.889 1.00 0.00 H new ATOM 0 HA ASN A 120 2.126 1.207 -7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.961 0.212 -10.447 1.00 0.00 H new ATOM 0 HB3 ASN A 120 3.322 1.315 -10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 120 4.595 -2.066 -9.542 1.00 0.00 H new ATOM 0 HD22 ASN A 120 3.738 -1.363 -10.918 1.00 0.00 H new ATOM 1884 N VAL A 121 2.508 3.719 -9.950 1.00 0.00 N ATOM 1885 CA VAL A 121 3.086 5.052 -10.085 1.00 0.00 C ATOM 1886 C VAL A 121 2.548 6.002 -9.022 1.00 0.00 C ATOM 1887 O VAL A 121 3.235 6.936 -8.607 1.00 0.00 O ATOM 1888 CB VAL A 121 2.814 5.652 -11.478 1.00 0.00 C ATOM 1889 CG1 VAL A 121 3.659 4.960 -12.535 1.00 0.00 C ATOM 1890 CG2 VAL A 121 1.335 5.567 -11.826 1.00 0.00 C ATOM 0 H VAL A 121 1.994 3.396 -10.769 1.00 0.00 H new ATOM 0 HA VAL A 121 4.162 4.937 -9.953 1.00 0.00 H new ATOM 0 HB VAL A 121 3.094 6.705 -11.454 1.00 0.00 H new ATOM 0 HG11 VAL A 121 3.452 5.399 -13.511 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.715 5.087 -12.297 1.00 0.00 H new ATOM 0 HG13 VAL A 121 3.417 3.897 -12.556 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.168 5.997 -12.814 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.021 4.523 -11.827 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.755 6.120 -11.087 1.00 0.00 H new ATOM 1900 N SER A 122 1.316 5.764 -8.585 1.00 0.00 N ATOM 1901 CA SER A 122 0.694 6.606 -7.571 1.00 0.00 C ATOM 1902 C SER A 122 1.410 6.468 -6.232 1.00 0.00 C ATOM 1903 O SER A 122 1.836 7.460 -5.641 1.00 0.00 O ATOM 1904 CB SER A 122 -0.787 6.245 -7.416 1.00 0.00 C ATOM 1905 OG SER A 122 -1.627 7.201 -8.049 1.00 0.00 O ATOM 0 H SER A 122 0.730 4.997 -8.916 1.00 0.00 H new ATOM 0 HA SER A 122 0.775 7.643 -7.896 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.969 5.259 -7.845 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.038 6.183 -6.357 1.00 0.00 H new ATOM 0 HG SER A 122 -2.565 6.940 -7.933 1.00 0.00 H new ATOM 1911 N LEU A 123 1.541 5.233 -5.756 1.00 0.00 N ATOM 1912 CA LEU A 123 2.207 4.971 -4.485 1.00 0.00 C ATOM 1913 C LEU A 123 3.623 5.538 -4.487 1.00 0.00 C ATOM 1914 O LEU A 123 4.116 6.003 -3.460 1.00 0.00 O ATOM 1915 CB LEU A 123 2.245 3.466 -4.205 1.00 0.00 C ATOM 1916 CG LEU A 123 3.015 3.058 -2.946 1.00 0.00 C ATOM 1917 CD1 LEU A 123 2.302 3.553 -1.695 1.00 0.00 C ATOM 1918 CD2 LEU A 123 3.199 1.545 -2.898 1.00 0.00 C ATOM 0 H LEU A 123 1.195 4.399 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 123 1.639 5.464 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.221 3.102 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 123 2.691 2.964 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 123 4.001 3.522 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.866 3.252 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 123 2.227 4.640 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.302 3.121 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 123 3.748 1.274 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 123 2.223 1.060 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 123 3.758 1.218 -3.775 1.00 0.00 H new ATOM 1930 N GLN A 124 4.269 5.495 -5.647 1.00 0.00 N ATOM 1931 CA GLN A 124 5.630 6.002 -5.786 1.00 0.00 C ATOM 1932 C GLN A 124 5.652 7.529 -5.768 1.00 0.00 C ATOM 1933 O GLN A 124 6.426 8.138 -5.031 1.00 0.00 O ATOM 1934 CB GLN A 124 6.258 5.490 -7.083 1.00 0.00 C ATOM 1935 CG GLN A 124 6.922 4.130 -6.942 1.00 0.00 C ATOM 1936 CD GLN A 124 8.006 3.904 -7.977 1.00 0.00 C ATOM 1937 OE1 GLN A 124 9.134 3.539 -7.643 1.00 0.00 O ATOM 1938 NE2 GLN A 124 7.670 4.121 -9.244 1.00 0.00 N ATOM 0 H GLN A 124 3.872 5.114 -6.506 1.00 0.00 H new ATOM 0 HA GLN A 124 6.211 5.639 -4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.487 5.431 -7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.998 6.212 -7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.352 4.041 -5.944 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.167 3.349 -7.035 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.724 4.423 -9.476 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.358 3.986 -9.984 1.00 0.00 H new ATOM 1947 N ASP A 125 4.798 8.139 -6.585 1.00 0.00 N ATOM 1948 CA ASP A 125 4.718 9.596 -6.666 1.00 0.00 C ATOM 1949 C ASP A 125 4.625 10.214 -5.276 1.00 0.00 C ATOM 1950 O ASP A 125 5.252 11.237 -4.995 1.00 0.00 O ATOM 1951 CB ASP A 125 3.505 10.013 -7.500 1.00 0.00 C ATOM 1952 CG ASP A 125 3.780 9.965 -8.990 1.00 0.00 C ATOM 1953 OD1 ASP A 125 4.882 10.379 -9.405 1.00 0.00 O ATOM 1954 OD2 ASP A 125 2.891 9.513 -9.743 1.00 0.00 O ATOM 0 H ASP A 125 4.151 7.647 -7.201 1.00 0.00 H new ATOM 0 HA ASP A 125 5.627 9.959 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 125 2.666 9.357 -7.268 1.00 0.00 H new ATOM 0 HB3 ASP A 125 3.207 11.024 -7.221 1.00 0.00 H new ATOM 1959 N HIS A 126 3.835 9.587 -4.415 1.00 0.00 N ATOM 1960 CA HIS A 126 3.650 10.068 -3.052 1.00 0.00 C ATOM 1961 C HIS A 126 4.844 9.702 -2.173 1.00 0.00 C ATOM 1962 O HIS A 126 5.336 10.530 -1.407 1.00 0.00 O ATOM 1963 CB HIS A 126 2.364 9.483 -2.465 1.00 0.00 C ATOM 1964 CG HIS A 126 1.189 9.579 -3.388 1.00 0.00 C ATOM 1965 ND1 HIS A 126 -0.023 8.979 -3.129 1.00 0.00 N ATOM 1966 CD2 HIS A 126 1.043 10.212 -4.577 1.00 0.00 C ATOM 1967 CE1 HIS A 126 -0.864 9.236 -4.113 1.00 0.00 C ATOM 1968 NE2 HIS A 126 -0.242 9.984 -5.006 1.00 0.00 N ATOM 0 H HIS A 126 3.310 8.741 -4.637 1.00 0.00 H new ATOM 0 HA HIS A 126 3.572 11.155 -3.079 1.00 0.00 H new ATOM 0 HB2 HIS A 126 2.533 8.436 -2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 126 2.129 10.002 -1.536 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -0.238 8.421 -2.303 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.797 10.789 -5.092 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.886 8.893 -4.177 1.00 0.00 H new ATOM 1976 N PHE A 127 5.303 8.458 -2.286 1.00 0.00 N ATOM 1977 CA PHE A 127 6.437 7.978 -1.498 1.00 0.00 C ATOM 1978 C PHE A 127 7.616 8.951 -1.564 1.00 0.00 C ATOM 1979 O PHE A 127 7.852 9.713 -0.625 1.00 0.00 O ATOM 1980 CB PHE A 127 6.870 6.591 -1.984 1.00 0.00 C ATOM 1981 CG PHE A 127 6.968 5.575 -0.883 1.00 0.00 C ATOM 1982 CD1 PHE A 127 5.890 5.328 -0.049 1.00 0.00 C ATOM 1983 CD2 PHE A 127 8.141 4.867 -0.686 1.00 0.00 C ATOM 1984 CE1 PHE A 127 5.981 4.391 0.963 1.00 0.00 C ATOM 1985 CE2 PHE A 127 8.239 3.929 0.324 1.00 0.00 C ATOM 1986 CZ PHE A 127 7.157 3.691 1.150 1.00 0.00 C ATOM 0 H PHE A 127 4.906 7.762 -2.917 1.00 0.00 H new ATOM 0 HA PHE A 127 6.116 7.910 -0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 127 6.159 6.238 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 127 7.838 6.674 -2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.969 5.873 -0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 127 8.989 5.050 -1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 127 5.134 4.206 1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 127 9.160 3.383 0.468 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.231 2.959 1.941 1.00 0.00 H new ATOM 1996 N LYS A 128 8.352 8.921 -2.673 1.00 0.00 N ATOM 1997 CA LYS A 128 9.502 9.801 -2.848 1.00 0.00 C ATOM 1998 C LYS A 128 9.079 11.132 -3.464 1.00 0.00 C ATOM 1999 O LYS A 128 7.891 11.388 -3.659 1.00 0.00 O ATOM 2000 CB LYS A 128 10.566 9.126 -3.722 1.00 0.00 C ATOM 2001 CG LYS A 128 10.982 7.747 -3.226 1.00 0.00 C ATOM 2002 CD LYS A 128 12.281 7.273 -3.869 1.00 0.00 C ATOM 2003 CE LYS A 128 13.424 8.249 -3.627 1.00 0.00 C ATOM 2004 NZ LYS A 128 13.632 8.513 -2.176 1.00 0.00 N ATOM 0 H LYS A 128 8.172 8.298 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 128 9.930 9.998 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 128 10.185 9.037 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 128 11.446 9.767 -3.767 1.00 0.00 H new ATOM 0 HG2 LYS A 128 11.103 7.773 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 128 10.189 7.031 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 128 12.548 6.295 -3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 128 12.131 7.149 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 128 14.341 7.848 -4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 128 13.215 9.188 -4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 14.517 9.043 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 12.836 9.071 -1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 13.689 7.610 -1.663 1.00 0.00 H new ATOM 2018 N TRP A 129 10.059 11.978 -3.764 1.00 0.00 N ATOM 2019 CA TRP A 129 9.788 13.286 -4.353 1.00 0.00 C ATOM 2020 C TRP A 129 9.762 13.209 -5.876 1.00 0.00 C ATOM 2021 O TRP A 129 10.744 13.536 -6.540 1.00 0.00 O ATOM 2022 CB TRP A 129 10.837 14.308 -3.899 1.00 0.00 C ATOM 2023 CG TRP A 129 12.232 13.758 -3.840 1.00 0.00 C ATOM 2024 CD1 TRP A 129 13.060 13.504 -4.896 1.00 0.00 C ATOM 2025 CD2 TRP A 129 12.961 13.397 -2.662 1.00 0.00 C ATOM 2026 NE1 TRP A 129 14.258 13.005 -4.446 1.00 0.00 N ATOM 2027 CE2 TRP A 129 14.222 12.931 -3.079 1.00 0.00 C ATOM 2028 CE3 TRP A 129 12.672 13.421 -1.294 1.00 0.00 C ATOM 2029 CZ2 TRP A 129 15.191 12.494 -2.180 1.00 0.00 C ATOM 2030 CZ3 TRP A 129 13.636 12.988 -0.401 1.00 0.00 C ATOM 2031 CH2 TRP A 129 14.882 12.530 -0.848 1.00 0.00 C ATOM 0 H TRP A 129 11.048 11.782 -3.609 1.00 0.00 H new ATOM 0 HA TRP A 129 8.805 13.609 -4.008 1.00 0.00 H new ATOM 0 HB2 TRP A 129 10.820 15.159 -4.580 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.562 14.683 -2.913 1.00 0.00 H new ATOM 0 HD1 TRP A 129 12.809 13.671 -5.933 1.00 0.00 H new ATOM 0 HE1 TRP A 129 15.046 12.734 -5.034 1.00 0.00 H new ATOM 0 HE3 TRP A 129 11.713 13.771 -0.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 16.152 12.139 -2.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 13.424 13.003 0.658 1.00 0.00 H new ATOM 0 HH2 TRP A 129 15.614 12.198 -0.126 1.00 0.00 H new ATOM 2042 N VAL A 130 8.632 12.777 -6.425 1.00 0.00 N ATOM 2043 CA VAL A 130 8.484 12.662 -7.871 1.00 0.00 C ATOM 2044 C VAL A 130 7.870 13.928 -8.471 1.00 0.00 C ATOM 2045 O VAL A 130 8.413 14.502 -9.415 1.00 0.00 O ATOM 2046 CB VAL A 130 7.620 11.442 -8.256 1.00 0.00 C ATOM 2047 CG1 VAL A 130 7.407 11.384 -9.762 1.00 0.00 C ATOM 2048 CG2 VAL A 130 8.261 10.154 -7.755 1.00 0.00 C ATOM 0 H VAL A 130 7.807 12.501 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 130 9.486 12.527 -8.279 1.00 0.00 H new ATOM 0 HB VAL A 130 6.646 11.550 -7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 130 6.796 10.516 -10.010 1.00 0.00 H new ATOM 0 HG12 VAL A 130 6.901 12.291 -10.093 1.00 0.00 H new ATOM 0 HG13 VAL A 130 8.372 11.303 -10.263 1.00 0.00 H new ATOM 0 HG21 VAL A 130 7.638 9.305 -8.035 1.00 0.00 H new ATOM 0 HG22 VAL A 130 9.249 10.042 -8.201 1.00 0.00 H new ATOM 0 HG23 VAL A 130 8.355 10.192 -6.670 1.00 0.00 H new ATOM 2058 N LYS A 131 6.736 14.353 -7.921 1.00 0.00 N ATOM 2059 CA LYS A 131 6.044 15.545 -8.406 1.00 0.00 C ATOM 2060 C LYS A 131 5.278 16.228 -7.266 1.00 0.00 C ATOM 2061 O LYS A 131 5.714 16.196 -6.116 1.00 0.00 O ATOM 2062 CB LYS A 131 5.099 15.165 -9.553 1.00 0.00 C ATOM 2063 CG LYS A 131 4.973 16.240 -10.623 1.00 0.00 C ATOM 2064 CD LYS A 131 4.766 15.637 -12.003 1.00 0.00 C ATOM 2065 CE LYS A 131 3.338 15.151 -12.192 1.00 0.00 C ATOM 2066 NZ LYS A 131 3.207 13.690 -11.933 1.00 0.00 N ATOM 0 H LYS A 131 6.276 13.889 -7.138 1.00 0.00 H new ATOM 0 HA LYS A 131 6.781 16.255 -8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 131 5.455 14.244 -10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 131 4.111 14.955 -9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 131 4.136 16.896 -10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 131 5.871 16.857 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 131 5.002 16.380 -12.765 1.00 0.00 H new ATOM 0 HD3 LYS A 131 5.456 14.805 -12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.677 15.699 -11.521 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.012 15.370 -13.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.218 13.400 -12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 3.818 13.165 -12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.493 13.484 -10.955 1.00 0.00 H new ATOM 2080 N GLN A 132 4.138 16.846 -7.584 1.00 0.00 N ATOM 2081 CA GLN A 132 3.330 17.526 -6.578 1.00 0.00 C ATOM 2082 C GLN A 132 1.876 17.619 -7.030 1.00 0.00 C ATOM 2083 O GLN A 132 1.578 18.193 -8.077 1.00 0.00 O ATOM 2084 CB GLN A 132 3.880 18.929 -6.312 1.00 0.00 C ATOM 2085 CG GLN A 132 3.633 19.419 -4.895 1.00 0.00 C ATOM 2086 CD GLN A 132 2.705 20.621 -4.843 1.00 0.00 C ATOM 2087 OE1 GLN A 132 1.721 20.658 -5.737 1.00 0.00 O flip ATOM 2088 NE2 GLN A 132 2.868 21.505 -4.002 1.00 0.00 N flip ATOM 0 H GLN A 132 3.757 16.888 -8.529 1.00 0.00 H new ATOM 0 HA GLN A 132 3.375 16.946 -5.656 1.00 0.00 H new ATOM 0 HB2 GLN A 132 4.952 18.933 -6.508 1.00 0.00 H new ATOM 0 HB3 GLN A 132 3.425 19.628 -7.014 1.00 0.00 H new ATOM 0 HG2 GLN A 132 3.205 18.609 -4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 132 4.586 19.681 -4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 132 3.636 21.438 -3.334 1.00 0.00 H new ATOM 0 HE22 GLN A 132 2.235 22.304 -3.973 1.00 0.00 H new ATOM 2097 N GLU A 133 0.976 17.050 -6.237 1.00 0.00 N ATOM 2098 CA GLU A 133 -0.446 17.068 -6.561 1.00 0.00 C ATOM 2099 C GLU A 133 -1.296 17.032 -5.294 1.00 0.00 C ATOM 2100 O GLU A 133 -0.802 16.522 -4.266 1.00 0.00 O ATOM 2101 CB GLU A 133 -0.798 15.879 -7.455 1.00 0.00 C ATOM 2102 CG GLU A 133 -2.076 16.077 -8.258 1.00 0.00 C ATOM 2103 CD GLU A 133 -3.160 15.075 -7.903 1.00 0.00 C ATOM 2104 OE1 GLU A 133 -2.891 14.165 -7.091 1.00 0.00 O ATOM 2105 OE2 GLU A 133 -4.281 15.202 -8.439 1.00 0.00 O ATOM 2106 OXT GLU A 133 -2.447 17.512 -5.340 1.00 0.00 O ATOM 0 H GLU A 133 1.205 16.571 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 133 -0.660 17.995 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 133 0.028 15.695 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.902 14.988 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -2.452 17.086 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -1.847 15.996 -9.321 1.00 0.00 H new TER 2113 GLU A 133