USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.36) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= -0.111 (180deg=-0.515) USER MOD Single : A 12 SER OG : rot -25:sc= 0.525 USER MOD Single : A 26 ASN : amide:sc= -2.36! C(o=-2.4!,f=-4.3!) USER MOD Single : A 29 HIS : no HD1:sc= -6.28! C(o=-6.3!,f=-5.5!) USER MOD Single : A 32 SER OG : rot -70:sc= 0.112 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -4.54! K(o=-4.5!,f=-0.57) USER MOD Single : A 38 GLN : amide:sc= -2.2! K(o=-2.2!,f=-1) USER MOD Single : A 50 GLN : amide:sc= -3.5! K(o=-3.5!,f=-0.16) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.047) USER MOD Single : A 66 THR OG1 : rot 86:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.067 5.095 -4.584 1.00 0.00 N ATOM 2 CA MET A 1 14.767 6.490 -4.869 1.00 0.00 C ATOM 3 C MET A 1 13.289 6.644 -5.204 1.00 0.00 C ATOM 4 O MET A 1 12.824 6.117 -6.214 1.00 0.00 O ATOM 5 CB MET A 1 15.627 6.990 -6.031 1.00 0.00 C ATOM 6 CG MET A 1 15.406 8.454 -6.366 1.00 0.00 C ATOM 7 SD MET A 1 16.411 9.005 -7.757 1.00 0.00 S ATOM 8 CE MET A 1 15.959 10.737 -7.826 1.00 0.00 C ATOM 0 H1 MET A 1 16.077 4.997 -4.356 1.00 0.00 H new ATOM 0 H2 MET A 1 14.497 4.776 -3.775 1.00 0.00 H new ATOM 0 H3 MET A 1 14.842 4.514 -5.417 1.00 0.00 H new ATOM 0 HA MET A 1 14.994 7.088 -3.986 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.678 6.837 -5.786 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.415 6.388 -6.914 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.353 8.615 -6.597 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.638 9.062 -5.492 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.499 11.222 -8.639 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.886 10.827 -7.998 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.216 11.218 -6.882 1.00 0.00 H new ATOM 18 N SER A 2 12.564 7.358 -4.342 1.00 0.00 N ATOM 19 CA SER A 2 11.113 7.493 -4.463 1.00 0.00 C ATOM 20 C SER A 2 10.442 6.135 -4.285 1.00 0.00 C ATOM 21 O SER A 2 9.346 5.884 -4.786 1.00 0.00 O ATOM 22 CB SER A 2 10.730 8.129 -5.804 1.00 0.00 C ATOM 23 OG SER A 2 11.314 9.415 -5.933 1.00 0.00 O ATOM 0 H SER A 2 12.963 7.856 -3.546 1.00 0.00 H new ATOM 0 HA SER A 2 10.760 8.157 -3.674 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.061 7.490 -6.623 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.645 8.207 -5.879 1.00 0.00 H new ATOM 0 HG SER A 2 11.060 9.805 -6.796 1.00 0.00 H new ATOM 29 N ALA A 3 11.129 5.270 -3.554 1.00 0.00 N ATOM 30 CA ALA A 3 10.651 3.936 -3.260 1.00 0.00 C ATOM 31 C ALA A 3 11.086 3.551 -1.865 1.00 0.00 C ATOM 32 O ALA A 3 11.972 2.725 -1.666 1.00 0.00 O ATOM 33 CB ALA A 3 11.170 2.955 -4.283 1.00 0.00 C ATOM 0 H ALA A 3 12.040 5.480 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 3 9.562 3.917 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.802 1.956 -4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.823 3.246 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.260 2.954 -4.266 1.00 0.00 H new ATOM 39 N VAL A 4 10.460 4.199 -0.912 1.00 0.00 N ATOM 40 CA VAL A 4 10.757 4.015 0.499 1.00 0.00 C ATOM 41 C VAL A 4 9.883 2.911 1.082 1.00 0.00 C ATOM 42 O VAL A 4 8.683 2.859 0.817 1.00 0.00 O ATOM 43 CB VAL A 4 10.504 5.324 1.277 1.00 0.00 C ATOM 44 CG1 VAL A 4 11.057 5.238 2.692 1.00 0.00 C ATOM 45 CG2 VAL A 4 11.097 6.511 0.533 1.00 0.00 C ATOM 0 H VAL A 4 9.720 4.878 -1.091 1.00 0.00 H new ATOM 0 HA VAL A 4 11.807 3.736 0.593 1.00 0.00 H new ATOM 0 HB VAL A 4 9.426 5.470 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.864 6.174 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.572 4.419 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.132 5.059 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.909 7.425 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.172 6.369 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.636 6.591 -0.451 1.00 0.00 H new ATOM 55 N GLN A 5 10.494 2.013 1.843 1.00 0.00 N ATOM 56 CA GLN A 5 9.763 0.962 2.526 1.00 0.00 C ATOM 57 C GLN A 5 8.734 1.589 3.447 1.00 0.00 C ATOM 58 O GLN A 5 9.075 2.215 4.449 1.00 0.00 O ATOM 59 CB GLN A 5 10.734 0.089 3.329 1.00 0.00 C ATOM 60 CG GLN A 5 10.246 -1.326 3.609 1.00 0.00 C ATOM 61 CD GLN A 5 9.077 -1.393 4.568 1.00 0.00 C ATOM 62 OE1 GLN A 5 9.260 -1.438 5.781 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.870 -1.443 4.031 1.00 0.00 N ATOM 0 H GLN A 5 11.501 1.995 2.002 1.00 0.00 H new ATOM 0 HA GLN A 5 9.255 0.333 1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.679 0.031 2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.940 0.581 4.280 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.958 -1.794 2.667 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.071 -1.911 4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.761 -1.403 3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.048 -1.522 4.630 1.00 0.00 H new ATOM 72 N VAL A 6 7.483 1.424 3.087 1.00 0.00 N ATOM 73 CA VAL A 6 6.397 2.022 3.827 1.00 0.00 C ATOM 74 C VAL A 6 5.241 1.059 3.933 1.00 0.00 C ATOM 75 O VAL A 6 4.560 0.972 4.947 1.00 0.00 O ATOM 76 CB VAL A 6 5.910 3.310 3.129 1.00 0.00 C ATOM 77 CG1 VAL A 6 5.276 2.989 1.784 1.00 0.00 C ATOM 78 CG2 VAL A 6 4.934 4.050 4.012 1.00 0.00 C ATOM 0 H VAL A 6 7.190 0.875 2.278 1.00 0.00 H new ATOM 0 HA VAL A 6 6.765 2.265 4.824 1.00 0.00 H new ATOM 0 HB VAL A 6 6.774 3.951 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.940 3.912 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.009 2.499 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.423 2.326 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.600 4.956 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.075 3.412 4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.422 4.317 4.949 1.00 0.00 H new ATOM 88 N LEU A 7 5.049 0.315 2.876 1.00 0.00 N ATOM 89 CA LEU A 7 3.883 -0.488 2.723 1.00 0.00 C ATOM 90 C LEU A 7 4.325 -1.932 2.670 1.00 0.00 C ATOM 91 O LEU A 7 5.501 -2.201 2.462 1.00 0.00 O ATOM 92 CB LEU A 7 3.181 -0.030 1.434 1.00 0.00 C ATOM 93 CG LEU A 7 1.660 -0.158 1.422 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.070 0.488 0.189 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.208 -1.594 1.499 1.00 0.00 C ATOM 0 H LEU A 7 5.705 0.254 2.098 1.00 0.00 H new ATOM 0 HA LEU A 7 3.178 -0.387 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.440 1.013 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.581 -0.607 0.600 1.00 0.00 H new ATOM 0 HG LEU A 7 1.300 0.361 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.015 0.382 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.331 1.546 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.468 0.002 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.119 -1.634 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.600 -2.145 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.578 -2.043 2.421 1.00 0.00 H new ATOM 107 N LYS A 8 3.427 -2.849 2.951 1.00 0.00 N ATOM 108 CA LYS A 8 3.704 -4.242 2.756 1.00 0.00 C ATOM 109 C LYS A 8 2.426 -5.006 2.500 1.00 0.00 C ATOM 110 O LYS A 8 1.338 -4.606 2.912 1.00 0.00 O ATOM 111 CB LYS A 8 4.477 -4.860 3.931 1.00 0.00 C ATOM 112 CG LYS A 8 3.913 -4.611 5.317 1.00 0.00 C ATOM 113 CD LYS A 8 4.748 -3.589 6.079 1.00 0.00 C ATOM 114 CE LYS A 8 4.204 -2.174 5.902 1.00 0.00 C ATOM 115 NZ LYS A 8 2.850 -2.014 6.495 1.00 0.00 N ATOM 0 H LYS A 8 2.496 -2.647 3.317 1.00 0.00 H new ATOM 0 HA LYS A 8 4.347 -4.318 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.533 -5.937 3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.498 -4.480 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.886 -4.256 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.884 -5.548 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.759 -3.845 7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.780 -3.629 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.888 -1.463 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.164 -1.932 4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.700 -1.018 6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.131 -2.304 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.771 -2.608 7.345 1.00 0.00 H new ATOM 129 N PHE A 9 2.582 -6.089 1.792 1.00 0.00 N ATOM 130 CA PHE A 9 1.488 -7.000 1.502 1.00 0.00 C ATOM 131 C PHE A 9 1.857 -8.368 2.047 1.00 0.00 C ATOM 132 O PHE A 9 2.509 -9.165 1.379 1.00 0.00 O ATOM 133 CB PHE A 9 1.158 -7.060 -0.010 1.00 0.00 C ATOM 134 CG PHE A 9 2.203 -6.465 -0.889 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.478 -6.902 -0.781 1.00 0.00 C ATOM 136 CD2 PHE A 9 1.899 -5.487 -1.819 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.475 -6.395 -1.577 1.00 0.00 C ATOM 138 CE2 PHE A 9 2.886 -4.964 -2.626 1.00 0.00 C ATOM 139 CZ PHE A 9 4.182 -5.419 -2.502 1.00 0.00 C ATOM 0 H PHE A 9 3.476 -6.375 1.392 1.00 0.00 H new ATOM 0 HA PHE A 9 0.581 -6.638 1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.008 -8.101 -0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.215 -6.543 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.717 -7.665 -0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.883 -5.132 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.486 -6.761 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.646 -4.201 -3.352 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.963 -5.012 -3.127 1.00 0.00 H new ATOM 149 N PRO A 10 1.508 -8.579 3.324 1.00 0.00 N ATOM 150 CA PRO A 10 1.697 -9.815 4.075 1.00 0.00 C ATOM 151 C PRO A 10 1.797 -11.085 3.232 1.00 0.00 C ATOM 152 O PRO A 10 0.783 -11.680 2.883 1.00 0.00 O ATOM 153 CB PRO A 10 0.419 -9.836 4.896 1.00 0.00 C ATOM 154 CG PRO A 10 0.063 -8.398 5.132 1.00 0.00 C ATOM 155 CD PRO A 10 0.882 -7.573 4.183 1.00 0.00 C ATOM 0 HA PRO A 10 2.639 -9.817 4.623 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.379 -10.355 4.365 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.568 -10.362 5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.001 -8.233 4.964 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.270 -8.115 6.164 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.262 -6.883 3.610 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.625 -6.973 4.708 1.00 0.00 H new ATOM 163 N LEU A 11 3.028 -11.539 2.984 1.00 0.00 N ATOM 164 CA LEU A 11 3.272 -12.699 2.123 1.00 0.00 C ATOM 165 C LEU A 11 2.790 -13.971 2.809 1.00 0.00 C ATOM 166 O LEU A 11 2.654 -15.026 2.192 1.00 0.00 O ATOM 167 CB LEU A 11 4.775 -12.794 1.767 1.00 0.00 C ATOM 168 CG LEU A 11 5.656 -13.752 2.596 1.00 0.00 C ATOM 169 CD1 LEU A 11 7.110 -13.626 2.179 1.00 0.00 C ATOM 170 CD2 LEU A 11 5.553 -13.476 4.079 1.00 0.00 C ATOM 0 H LEU A 11 3.874 -11.119 3.369 1.00 0.00 H new ATOM 0 HA LEU A 11 2.712 -12.579 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.852 -13.090 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.201 -11.794 1.848 1.00 0.00 H new ATOM 0 HG LEU A 11 5.293 -14.762 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.719 -14.308 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.209 -13.877 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.448 -12.603 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.189 -14.173 4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.876 -12.455 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.519 -13.600 4.401 1.00 0.00 H new ATOM 182 N SER A 12 2.527 -13.838 4.096 1.00 0.00 N ATOM 183 CA SER A 12 2.181 -14.954 4.942 1.00 0.00 C ATOM 184 C SER A 12 0.676 -15.032 5.151 1.00 0.00 C ATOM 185 O SER A 12 0.188 -15.906 5.867 1.00 0.00 O ATOM 186 CB SER A 12 2.895 -14.786 6.287 1.00 0.00 C ATOM 187 OG SER A 12 2.661 -15.888 7.153 1.00 0.00 O ATOM 0 H SER A 12 2.549 -12.942 4.583 1.00 0.00 H new ATOM 0 HA SER A 12 2.497 -15.881 4.464 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.966 -14.678 6.118 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.554 -13.869 6.767 1.00 0.00 H new ATOM 0 HG SER A 12 1.815 -16.320 6.912 1.00 0.00 H new ATOM 193 N VAL A 13 -0.067 -14.126 4.527 1.00 0.00 N ATOM 194 CA VAL A 13 -1.490 -14.059 4.770 1.00 0.00 C ATOM 195 C VAL A 13 -2.235 -13.884 3.468 1.00 0.00 C ATOM 196 O VAL A 13 -1.648 -13.864 2.384 1.00 0.00 O ATOM 197 CB VAL A 13 -1.875 -12.907 5.755 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.799 -12.685 6.804 1.00 0.00 C ATOM 199 CG2 VAL A 13 -2.188 -11.603 5.025 1.00 0.00 C ATOM 0 H VAL A 13 0.291 -13.441 3.861 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.776 -15.001 5.238 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.785 -13.227 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.102 -11.877 7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.660 -13.599 7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.138 -12.419 6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.450 -10.833 5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.313 -11.284 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.025 -11.759 4.344 1.00 0.00 H new ATOM 209 N ASP A 14 -3.528 -13.773 3.603 1.00 0.00 N ATOM 210 CA ASP A 14 -4.422 -13.532 2.489 1.00 0.00 C ATOM 211 C ASP A 14 -4.344 -12.065 2.074 1.00 0.00 C ATOM 212 O ASP A 14 -5.320 -11.310 2.134 1.00 0.00 O ATOM 213 CB ASP A 14 -5.837 -13.927 2.888 1.00 0.00 C ATOM 214 CG ASP A 14 -6.830 -13.811 1.748 1.00 0.00 C ATOM 215 OD1 ASP A 14 -6.514 -14.258 0.628 1.00 0.00 O ATOM 216 OD2 ASP A 14 -7.941 -13.286 1.975 1.00 0.00 O ATOM 0 H ASP A 14 -4.004 -13.848 4.502 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.127 -14.136 1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.832 -14.954 3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.165 -13.295 3.714 1.00 0.00 H new ATOM 221 N LEU A 15 -3.149 -11.671 1.656 1.00 0.00 N ATOM 222 CA LEU A 15 -2.854 -10.308 1.261 1.00 0.00 C ATOM 223 C LEU A 15 -3.708 -9.832 0.103 1.00 0.00 C ATOM 224 O LEU A 15 -3.667 -8.667 -0.216 1.00 0.00 O ATOM 225 CB LEU A 15 -1.379 -10.193 0.897 1.00 0.00 C ATOM 226 CG LEU A 15 -0.779 -11.429 0.227 1.00 0.00 C ATOM 227 CD1 LEU A 15 -1.445 -11.726 -1.100 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.684 -11.224 -0.002 1.00 0.00 C ATOM 0 H LEU A 15 -2.349 -12.300 1.582 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.088 -9.667 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.250 -9.339 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.813 -9.979 1.803 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.944 -12.275 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.991 -12.611 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.509 -11.904 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.316 -10.876 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.105 -12.109 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.834 -10.358 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.182 -11.056 0.953 1.00 0.00 H new ATOM 240 N ALA A 16 -4.489 -10.711 -0.509 1.00 0.00 N ATOM 241 CA ALA A 16 -5.334 -10.321 -1.634 1.00 0.00 C ATOM 242 C ALA A 16 -6.215 -9.138 -1.267 1.00 0.00 C ATOM 243 O ALA A 16 -6.637 -8.374 -2.134 1.00 0.00 O ATOM 244 CB ALA A 16 -6.179 -11.493 -2.099 1.00 0.00 C ATOM 0 H ALA A 16 -4.557 -11.695 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.685 -10.017 -2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.802 -11.182 -2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.528 -12.309 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.815 -11.830 -1.281 1.00 0.00 H new ATOM 250 N GLY A 17 -6.453 -8.972 0.026 1.00 0.00 N ATOM 251 CA GLY A 17 -7.188 -7.823 0.491 1.00 0.00 C ATOM 252 C GLY A 17 -6.384 -6.536 0.375 1.00 0.00 C ATOM 253 O GLY A 17 -6.918 -5.514 -0.043 1.00 0.00 O ATOM 0 H GLY A 17 -6.149 -9.614 0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.109 -7.726 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.477 -7.976 1.531 1.00 0.00 H new ATOM 257 N PHE A 18 -5.100 -6.571 0.734 1.00 0.00 N ATOM 258 CA PHE A 18 -4.285 -5.358 0.693 1.00 0.00 C ATOM 259 C PHE A 18 -3.476 -5.258 -0.594 1.00 0.00 C ATOM 260 O PHE A 18 -3.450 -4.213 -1.233 1.00 0.00 O ATOM 261 CB PHE A 18 -3.338 -5.263 1.876 1.00 0.00 C ATOM 262 CG PHE A 18 -2.903 -3.846 2.149 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.356 -2.800 1.348 1.00 0.00 C ATOM 264 CD2 PHE A 18 -2.065 -3.553 3.210 1.00 0.00 C ATOM 265 CE1 PHE A 18 -2.973 -1.502 1.601 1.00 0.00 C ATOM 266 CE2 PHE A 18 -1.678 -2.249 3.462 1.00 0.00 C ATOM 267 CZ PHE A 18 -2.135 -1.224 2.654 1.00 0.00 C ATOM 0 H PHE A 18 -4.610 -7.408 1.050 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.991 -4.529 0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.826 -5.668 2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.460 -5.880 1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.015 -3.010 0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.710 -4.349 3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.332 -0.701 0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.019 -2.032 4.290 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.834 -0.206 2.850 1.00 0.00 H new ATOM 277 N VAL A 19 -2.798 -6.336 -0.970 1.00 0.00 N ATOM 278 CA VAL A 19 -2.004 -6.333 -2.183 1.00 0.00 C ATOM 279 C VAL A 19 -2.929 -6.066 -3.339 1.00 0.00 C ATOM 280 O VAL A 19 -2.558 -5.453 -4.324 1.00 0.00 O ATOM 281 CB VAL A 19 -1.272 -7.681 -2.427 1.00 0.00 C ATOM 282 CG1 VAL A 19 -2.205 -8.748 -2.986 1.00 0.00 C ATOM 283 CG2 VAL A 19 -0.087 -7.493 -3.362 1.00 0.00 C ATOM 0 H VAL A 19 -2.785 -7.215 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.237 -5.565 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.913 -8.024 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.649 -9.673 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.017 -8.926 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.617 -8.409 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.409 -8.451 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.437 -7.106 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.617 -6.787 -2.920 1.00 0.00 H new ATOM 293 N GLY A 20 -4.149 -6.542 -3.170 1.00 0.00 N ATOM 294 CA GLY A 20 -5.207 -6.254 -4.102 1.00 0.00 C ATOM 295 C GLY A 20 -5.605 -4.817 -4.010 1.00 0.00 C ATOM 296 O GLY A 20 -5.763 -4.163 -5.019 1.00 0.00 O ATOM 0 H GLY A 20 -4.426 -7.134 -2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.879 -6.483 -5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.067 -6.890 -3.894 1.00 0.00 H new ATOM 300 N LEU A 21 -5.662 -4.304 -2.793 1.00 0.00 N ATOM 301 CA LEU A 21 -6.168 -2.964 -2.545 1.00 0.00 C ATOM 302 C LEU A 21 -5.396 -1.903 -3.336 1.00 0.00 C ATOM 303 O LEU A 21 -6.004 -1.040 -3.962 1.00 0.00 O ATOM 304 CB LEU A 21 -6.136 -2.664 -1.047 1.00 0.00 C ATOM 305 CG LEU A 21 -6.824 -1.365 -0.627 1.00 0.00 C ATOM 306 CD1 LEU A 21 -7.428 -1.506 0.760 1.00 0.00 C ATOM 307 CD2 LEU A 21 -5.837 -0.215 -0.651 1.00 0.00 C ATOM 0 H LEU A 21 -5.361 -4.800 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.201 -2.925 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.606 -3.493 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.096 -2.627 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.625 -1.156 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.913 -0.572 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.164 -2.310 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.641 -1.737 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.341 0.703 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.019 -0.423 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.440 -0.097 -1.659 1.00 0.00 H new ATOM 319 N LEU A 22 -4.067 -1.959 -3.345 1.00 0.00 N ATOM 320 CA LEU A 22 -3.318 -0.959 -4.093 1.00 0.00 C ATOM 321 C LEU A 22 -3.115 -1.392 -5.524 1.00 0.00 C ATOM 322 O LEU A 22 -2.897 -0.574 -6.426 1.00 0.00 O ATOM 323 CB LEU A 22 -1.985 -0.581 -3.465 1.00 0.00 C ATOM 324 CG LEU A 22 -1.096 -1.649 -2.810 1.00 0.00 C ATOM 325 CD1 LEU A 22 -1.464 -1.864 -1.354 1.00 0.00 C ATOM 326 CD2 LEU A 22 -1.106 -2.967 -3.545 1.00 0.00 C ATOM 0 H LEU A 22 -3.505 -2.659 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.934 -0.060 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.390 -0.100 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.190 0.175 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.081 -1.257 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.815 -2.626 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.341 -0.930 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.502 -2.191 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.458 -3.676 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.122 -3.359 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.745 -2.819 -4.563 1.00 0.00 H new ATOM 338 N ARG A 23 -3.158 -2.684 -5.710 1.00 0.00 N ATOM 339 CA ARG A 23 -3.187 -3.277 -7.033 1.00 0.00 C ATOM 340 C ARG A 23 -4.364 -2.705 -7.801 1.00 0.00 C ATOM 341 O ARG A 23 -4.327 -2.511 -9.017 1.00 0.00 O ATOM 342 CB ARG A 23 -3.378 -4.759 -6.852 1.00 0.00 C ATOM 343 CG ARG A 23 -3.101 -5.592 -8.081 1.00 0.00 C ATOM 344 CD ARG A 23 -4.188 -6.635 -8.252 1.00 0.00 C ATOM 345 NE ARG A 23 -4.482 -6.911 -9.656 1.00 0.00 N ATOM 346 CZ ARG A 23 -5.198 -7.953 -10.072 1.00 0.00 C ATOM 347 NH1 ARG A 23 -5.551 -8.905 -9.212 1.00 0.00 N ATOM 348 NH2 ARG A 23 -5.537 -8.054 -11.354 1.00 0.00 N ATOM 0 H ARG A 23 -3.174 -3.363 -4.949 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.268 -3.070 -7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.727 -5.099 -6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.404 -4.942 -6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.057 -4.952 -8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.129 -6.078 -7.991 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.882 -7.558 -7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.096 -6.294 -7.754 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.117 -6.268 -10.359 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.273 -8.837 -8.233 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.100 -9.703 -9.532 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.248 -7.334 -12.016 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.086 -8.852 -11.675 1.00 0.00 H new ATOM 362 N ARG A 24 -5.393 -2.412 -7.033 1.00 0.00 N ATOM 363 CA ARG A 24 -6.635 -1.876 -7.535 1.00 0.00 C ATOM 364 C ARG A 24 -6.461 -0.437 -7.958 1.00 0.00 C ATOM 365 O ARG A 24 -7.178 0.054 -8.828 1.00 0.00 O ATOM 366 CB ARG A 24 -7.673 -1.946 -6.442 1.00 0.00 C ATOM 367 CG ARG A 24 -8.144 -3.352 -6.121 1.00 0.00 C ATOM 368 CD ARG A 24 -8.869 -3.343 -4.801 1.00 0.00 C ATOM 369 NE ARG A 24 -9.428 -4.641 -4.444 1.00 0.00 N ATOM 370 CZ ARG A 24 -10.282 -4.824 -3.440 1.00 0.00 C ATOM 371 NH1 ARG A 24 -10.696 -3.786 -2.716 1.00 0.00 N ATOM 372 NH2 ARG A 24 -10.725 -6.042 -3.162 1.00 0.00 N ATOM 0 H ARG A 24 -5.386 -2.544 -6.022 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.950 -2.460 -8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.263 -1.497 -5.537 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.534 -1.344 -6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.803 -3.716 -6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.293 -4.032 -6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.181 -3.023 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.672 -2.607 -4.840 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.149 -5.454 -4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.359 -2.848 -2.930 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.351 -3.929 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.411 -6.838 -3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.380 -6.183 -2.393 1.00 0.00 H new ATOM 386 N LEU A 25 -5.497 0.241 -7.347 1.00 0.00 N ATOM 387 CA LEU A 25 -5.313 1.653 -7.621 1.00 0.00 C ATOM 388 C LEU A 25 -4.611 1.841 -8.958 1.00 0.00 C ATOM 389 O LEU A 25 -5.114 2.556 -9.826 1.00 0.00 O ATOM 390 CB LEU A 25 -4.561 2.320 -6.471 1.00 0.00 C ATOM 391 CG LEU A 25 -5.290 2.243 -5.133 1.00 0.00 C ATOM 392 CD1 LEU A 25 -4.394 2.723 -4.023 1.00 0.00 C ATOM 393 CD2 LEU A 25 -6.574 3.061 -5.167 1.00 0.00 C ATOM 0 H LEU A 25 -4.844 -0.158 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.286 2.139 -7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.582 1.851 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.388 3.367 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.554 1.202 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.926 2.663 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.502 2.098 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.103 3.757 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.076 2.991 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.336 4.104 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.231 2.675 -5.947 1.00 0.00 H new ATOM 405 N ASN A 26 -3.474 1.160 -9.122 1.00 0.00 N ATOM 406 CA ASN A 26 -2.769 1.097 -10.401 1.00 0.00 C ATOM 407 C ASN A 26 -1.416 0.397 -10.264 1.00 0.00 C ATOM 408 O ASN A 26 -0.574 0.502 -11.155 1.00 0.00 O ATOM 409 CB ASN A 26 -2.586 2.489 -11.038 1.00 0.00 C ATOM 410 CG ASN A 26 -1.510 3.340 -10.388 1.00 0.00 C ATOM 411 OD1 ASN A 26 -0.357 3.328 -10.812 1.00 0.00 O ATOM 412 ND2 ASN A 26 -1.880 4.099 -9.367 1.00 0.00 N ATOM 0 H ASN A 26 -3.019 0.639 -8.373 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.398 0.507 -11.067 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.344 2.363 -12.093 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.534 3.025 -10.990 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.198 4.700 -8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.847 4.082 -9.043 1.00 0.00 H new ATOM 419 N VAL A 27 -1.246 -0.343 -9.152 1.00 0.00 N ATOM 420 CA VAL A 27 -0.042 -1.157 -8.872 1.00 0.00 C ATOM 421 C VAL A 27 1.250 -0.570 -9.482 1.00 0.00 C ATOM 422 O VAL A 27 1.885 -1.153 -10.360 1.00 0.00 O ATOM 423 CB VAL A 27 -0.271 -2.638 -9.308 1.00 0.00 C ATOM 424 CG1 VAL A 27 -0.548 -2.760 -10.801 1.00 0.00 C ATOM 425 CG2 VAL A 27 0.895 -3.525 -8.901 1.00 0.00 C ATOM 0 H VAL A 27 -1.947 -0.395 -8.413 1.00 0.00 H new ATOM 0 HA VAL A 27 0.113 -1.133 -7.793 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.160 -2.985 -8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.701 -3.808 -11.058 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.442 -2.190 -11.053 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.301 -2.369 -11.362 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.702 -4.549 -9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.809 -3.164 -9.373 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.011 -3.499 -7.818 1.00 0.00 H new ATOM 435 N PRO A 28 1.637 0.622 -9.007 1.00 0.00 N ATOM 436 CA PRO A 28 2.796 1.367 -9.507 1.00 0.00 C ATOM 437 C PRO A 28 4.011 1.327 -8.585 1.00 0.00 C ATOM 438 O PRO A 28 4.765 2.295 -8.517 1.00 0.00 O ATOM 439 CB PRO A 28 2.230 2.771 -9.464 1.00 0.00 C ATOM 440 CG PRO A 28 1.465 2.793 -8.175 1.00 0.00 C ATOM 441 CD PRO A 28 0.922 1.399 -7.984 1.00 0.00 C ATOM 0 HA PRO A 28 3.157 0.982 -10.461 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.018 3.524 -9.477 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.584 2.971 -10.319 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.111 3.076 -7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.657 3.524 -8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.120 1.023 -6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.157 1.363 -8.131 1.00 0.00 H new ATOM 449 N HIS A 29 4.218 0.229 -7.892 1.00 0.00 N ATOM 450 CA HIS A 29 5.076 0.266 -6.716 1.00 0.00 C ATOM 451 C HIS A 29 6.193 -0.753 -6.722 1.00 0.00 C ATOM 452 O HIS A 29 6.264 -1.639 -7.571 1.00 0.00 O ATOM 453 CB HIS A 29 4.230 0.057 -5.470 1.00 0.00 C ATOM 454 CG HIS A 29 3.352 -1.159 -5.554 1.00 0.00 C ATOM 455 ND1 HIS A 29 1.979 -1.095 -5.646 1.00 0.00 N ATOM 456 CD2 HIS A 29 3.666 -2.477 -5.575 1.00 0.00 C ATOM 457 CE1 HIS A 29 1.491 -2.320 -5.724 1.00 0.00 C ATOM 458 NE2 HIS A 29 2.493 -3.175 -5.684 1.00 0.00 N ATOM 0 H HIS A 29 3.817 -0.683 -8.110 1.00 0.00 H new ATOM 0 HA HIS A 29 5.553 1.246 -6.725 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.885 -0.034 -4.604 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.608 0.937 -5.308 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.658 -2.899 -5.517 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.445 -2.578 -5.807 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.409 -4.191 -5.727 1.00 0.00 H new ATOM 467 N ARG A 30 7.062 -0.595 -5.739 1.00 0.00 N ATOM 468 CA ARG A 30 8.096 -1.563 -5.446 1.00 0.00 C ATOM 469 C ARG A 30 7.522 -2.747 -4.681 1.00 0.00 C ATOM 470 O ARG A 30 6.576 -2.597 -3.908 1.00 0.00 O ATOM 471 CB ARG A 30 9.156 -0.902 -4.588 1.00 0.00 C ATOM 472 CG ARG A 30 10.561 -1.028 -5.112 1.00 0.00 C ATOM 473 CD ARG A 30 11.112 -2.435 -5.003 1.00 0.00 C ATOM 474 NE ARG A 30 12.438 -2.528 -5.604 1.00 0.00 N ATOM 475 CZ ARG A 30 13.565 -2.723 -4.925 1.00 0.00 C ATOM 476 NH1 ARG A 30 13.547 -2.911 -3.611 1.00 0.00 N ATOM 477 NH2 ARG A 30 14.720 -2.747 -5.572 1.00 0.00 N ATOM 0 H ARG A 30 7.067 0.215 -5.119 1.00 0.00 H new ATOM 0 HA ARG A 30 8.521 -1.918 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.914 0.156 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.116 -1.334 -3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.582 -0.716 -6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.210 -0.346 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.163 -2.729 -3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.436 -3.133 -5.497 1.00 0.00 H new ATOM 0 HE ARG A 30 12.506 -2.437 -6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.660 -2.907 -3.107 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.420 -3.059 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.741 -2.616 -6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.589 -2.896 -5.059 1.00 0.00 H new ATOM 491 N VAL A 31 8.117 -3.901 -4.907 1.00 0.00 N ATOM 492 CA VAL A 31 7.787 -5.129 -4.197 1.00 0.00 C ATOM 493 C VAL A 31 9.072 -5.823 -3.744 1.00 0.00 C ATOM 494 O VAL A 31 9.911 -6.208 -4.557 1.00 0.00 O ATOM 495 CB VAL A 31 6.952 -6.102 -5.064 1.00 0.00 C ATOM 496 CG1 VAL A 31 6.749 -7.433 -4.343 1.00 0.00 C ATOM 497 CG2 VAL A 31 5.608 -5.486 -5.429 1.00 0.00 C ATOM 0 H VAL A 31 8.856 -4.018 -5.600 1.00 0.00 H new ATOM 0 HA VAL A 31 7.181 -4.854 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 31 7.505 -6.290 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.160 -8.101 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.718 -7.888 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.224 -7.261 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.039 -6.188 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.051 -5.262 -4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.770 -4.566 -5.991 1.00 0.00 H new ATOM 507 N SER A 32 9.227 -5.937 -2.444 1.00 0.00 N ATOM 508 CA SER A 32 10.393 -6.556 -1.828 1.00 0.00 C ATOM 509 C SER A 32 9.909 -7.399 -0.661 1.00 0.00 C ATOM 510 O SER A 32 8.746 -7.755 -0.639 1.00 0.00 O ATOM 511 CB SER A 32 11.361 -5.469 -1.364 1.00 0.00 C ATOM 512 OG SER A 32 11.730 -4.636 -2.447 1.00 0.00 O ATOM 0 H SER A 32 8.540 -5.599 -1.770 1.00 0.00 H new ATOM 0 HA SER A 32 10.923 -7.191 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.896 -4.871 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.250 -5.927 -0.931 1.00 0.00 H new ATOM 0 HG SER A 32 12.304 -5.136 -3.064 1.00 0.00 H new ATOM 518 N GLU A 33 10.780 -7.786 0.260 1.00 0.00 N ATOM 519 CA GLU A 33 10.308 -8.405 1.493 1.00 0.00 C ATOM 520 C GLU A 33 11.011 -7.803 2.710 1.00 0.00 C ATOM 521 O GLU A 33 12.236 -7.678 2.742 1.00 0.00 O ATOM 522 CB GLU A 33 10.444 -9.937 1.443 1.00 0.00 C ATOM 523 CG GLU A 33 11.868 -10.456 1.421 1.00 0.00 C ATOM 524 CD GLU A 33 12.420 -10.730 2.807 1.00 0.00 C ATOM 525 OE1 GLU A 33 11.625 -10.860 3.761 1.00 0.00 O ATOM 526 OE2 GLU A 33 13.659 -10.829 2.946 1.00 0.00 O ATOM 0 H GLU A 33 11.792 -7.687 0.183 1.00 0.00 H new ATOM 0 HA GLU A 33 9.244 -8.189 1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.933 -10.360 2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.927 -10.303 0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.906 -11.373 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.506 -9.729 0.919 1.00 0.00 H new ATOM 533 N GLU A 34 10.207 -7.391 3.684 1.00 0.00 N ATOM 534 CA GLU A 34 10.700 -6.790 4.921 1.00 0.00 C ATOM 535 C GLU A 34 10.066 -7.459 6.134 1.00 0.00 C ATOM 536 O GLU A 34 8.839 -7.499 6.260 1.00 0.00 O ATOM 537 CB GLU A 34 10.411 -5.283 4.949 1.00 0.00 C ATOM 538 CG GLU A 34 11.451 -4.446 4.225 1.00 0.00 C ATOM 539 CD GLU A 34 12.811 -4.484 4.894 1.00 0.00 C ATOM 540 OE1 GLU A 34 12.990 -3.809 5.929 1.00 0.00 O ATOM 541 OE2 GLU A 34 13.709 -5.184 4.389 1.00 0.00 O ATOM 0 H GLU A 34 9.191 -7.464 3.639 1.00 0.00 H new ATOM 0 HA GLU A 34 11.779 -6.941 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.435 -5.101 4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.351 -4.953 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.546 -4.802 3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.106 -3.413 4.173 1.00 0.00 H new ATOM 548 N SER A 35 10.913 -8.008 7.000 1.00 0.00 N ATOM 549 CA SER A 35 10.478 -8.643 8.247 1.00 0.00 C ATOM 550 C SER A 35 9.565 -9.850 8.007 1.00 0.00 C ATOM 551 O SER A 35 8.885 -10.310 8.925 1.00 0.00 O ATOM 552 CB SER A 35 9.770 -7.625 9.148 1.00 0.00 C ATOM 553 OG SER A 35 10.660 -6.607 9.578 1.00 0.00 O ATOM 0 H SER A 35 11.923 -8.027 6.859 1.00 0.00 H new ATOM 0 HA SER A 35 11.377 -9.009 8.743 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.936 -7.177 8.608 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.351 -8.134 10.016 1.00 0.00 H new ATOM 0 HG SER A 35 10.179 -5.972 10.149 1.00 0.00 H new ATOM 559 N GLY A 36 9.546 -10.360 6.783 1.00 0.00 N ATOM 560 CA GLY A 36 8.757 -11.535 6.489 1.00 0.00 C ATOM 561 C GLY A 36 7.376 -11.195 5.982 1.00 0.00 C ATOM 562 O GLY A 36 6.408 -11.889 6.280 1.00 0.00 O ATOM 0 H GLY A 36 10.063 -9.980 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.275 -12.139 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.670 -12.144 7.389 1.00 0.00 H new ATOM 566 N GLN A 37 7.279 -10.080 5.285 1.00 0.00 N ATOM 567 CA GLN A 37 6.165 -9.799 4.414 1.00 0.00 C ATOM 568 C GLN A 37 6.729 -9.168 3.176 1.00 0.00 C ATOM 569 O GLN A 37 7.754 -8.502 3.258 1.00 0.00 O ATOM 570 CB GLN A 37 5.143 -8.853 5.059 1.00 0.00 C ATOM 571 CG GLN A 37 5.377 -8.540 6.528 1.00 0.00 C ATOM 572 CD GLN A 37 4.189 -7.854 7.160 1.00 0.00 C ATOM 573 OE1 GLN A 37 4.334 -7.062 8.091 1.00 0.00 O ATOM 574 NE2 GLN A 37 3.008 -8.156 6.652 1.00 0.00 N ATOM 0 H GLN A 37 7.980 -9.340 5.311 1.00 0.00 H new ATOM 0 HA GLN A 37 5.634 -10.725 4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.139 -7.916 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.151 -9.291 4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.589 -9.464 7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.257 -7.904 6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.939 -8.819 5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.164 -7.726 7.032 1.00 0.00 H new ATOM 583 N GLN A 38 6.121 -9.383 2.022 1.00 0.00 N ATOM 584 CA GLN A 38 6.576 -8.656 0.868 1.00 0.00 C ATOM 585 C GLN A 38 6.161 -7.235 1.101 1.00 0.00 C ATOM 586 O GLN A 38 5.094 -6.991 1.641 1.00 0.00 O ATOM 587 CB GLN A 38 5.989 -9.156 -0.450 1.00 0.00 C ATOM 588 CG GLN A 38 5.678 -10.621 -0.481 1.00 0.00 C ATOM 589 CD GLN A 38 4.465 -10.892 -1.333 1.00 0.00 C ATOM 590 OE1 GLN A 38 4.571 -11.294 -2.491 1.00 0.00 O ATOM 591 NE2 GLN A 38 3.308 -10.569 -0.786 1.00 0.00 N ATOM 0 H GLN A 38 5.345 -10.027 1.868 1.00 0.00 H new ATOM 0 HA GLN A 38 7.654 -8.783 0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.075 -8.600 -0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.690 -8.930 -1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.534 -11.171 -0.873 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.504 -10.982 0.533 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.274 -10.241 0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.448 -10.648 -1.328 1.00 0.00 H new ATOM 600 N VAL A 39 6.995 -6.306 0.749 1.00 0.00 N ATOM 601 CA VAL A 39 6.751 -4.940 1.098 1.00 0.00 C ATOM 602 C VAL A 39 6.848 -4.037 -0.105 1.00 0.00 C ATOM 603 O VAL A 39 7.565 -4.307 -1.061 1.00 0.00 O ATOM 604 CB VAL A 39 7.676 -4.493 2.225 1.00 0.00 C ATOM 605 CG1 VAL A 39 7.547 -5.458 3.355 1.00 0.00 C ATOM 606 CG2 VAL A 39 9.078 -4.370 1.756 1.00 0.00 C ATOM 0 H VAL A 39 7.852 -6.468 0.220 1.00 0.00 H new ATOM 0 HA VAL A 39 5.728 -4.864 1.466 1.00 0.00 H new ATOM 0 HB VAL A 39 7.384 -3.501 2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.203 -5.153 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.515 -5.472 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.829 -6.455 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.712 -4.050 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.424 -5.335 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.130 -3.634 0.953 1.00 0.00 H new ATOM 616 N LEU A 40 6.106 -2.977 -0.023 1.00 0.00 N ATOM 617 CA LEU A 40 5.811 -2.120 -1.127 1.00 0.00 C ATOM 618 C LEU A 40 6.353 -0.727 -0.843 1.00 0.00 C ATOM 619 O LEU A 40 6.181 -0.184 0.253 1.00 0.00 O ATOM 620 CB LEU A 40 4.300 -2.189 -1.284 1.00 0.00 C ATOM 621 CG LEU A 40 3.622 -1.293 -2.323 1.00 0.00 C ATOM 622 CD1 LEU A 40 2.142 -1.609 -2.374 1.00 0.00 C ATOM 623 CD2 LEU A 40 3.811 0.175 -2.014 1.00 0.00 C ATOM 0 H LEU A 40 5.673 -2.674 0.849 1.00 0.00 H new ATOM 0 HA LEU A 40 6.283 -2.416 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.040 -3.221 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.857 -1.962 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 40 4.087 -1.494 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.659 -0.971 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.002 -2.654 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.698 -1.430 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.314 0.774 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.381 0.400 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.875 0.411 -2.004 1.00 0.00 H new ATOM 635 N TRP A 41 7.032 -0.169 -1.833 1.00 0.00 N ATOM 636 CA TRP A 41 7.754 1.081 -1.652 1.00 0.00 C ATOM 637 C TRP A 41 7.334 2.084 -2.730 1.00 0.00 C ATOM 638 O TRP A 41 7.821 1.994 -3.856 1.00 0.00 O ATOM 639 CB TRP A 41 9.295 0.858 -1.759 1.00 0.00 C ATOM 640 CG TRP A 41 9.811 -0.401 -1.112 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.230 -1.610 -1.193 1.00 0.00 C ATOM 642 CD2 TRP A 41 11.016 -0.601 -0.353 1.00 0.00 C ATOM 643 NE1 TRP A 41 9.922 -2.535 -0.492 1.00 0.00 N ATOM 644 CE2 TRP A 41 11.025 -1.954 0.034 1.00 0.00 C ATOM 645 CE3 TRP A 41 12.072 0.212 0.061 1.00 0.00 C ATOM 646 CZ2 TRP A 41 12.022 -2.511 0.808 1.00 0.00 C ATOM 647 CZ3 TRP A 41 13.081 -0.345 0.831 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.046 -1.698 1.203 1.00 0.00 C ATOM 0 H TRP A 41 7.098 -0.563 -2.772 1.00 0.00 H new ATOM 0 HA TRP A 41 7.514 1.465 -0.660 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.571 0.844 -2.813 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.801 1.712 -1.308 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.326 -1.816 -1.747 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.656 -3.513 -0.378 1.00 0.00 H new ATOM 0 HE3 TRP A 41 12.102 1.256 -0.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 11.994 -3.553 1.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 13.908 0.272 1.150 1.00 0.00 H new ATOM 0 HH2 TRP A 41 13.841 -2.103 1.811 1.00 0.00 H new ATOM 659 N VAL A 42 6.395 2.993 -2.435 1.00 0.00 N ATOM 660 CA VAL A 42 6.145 4.115 -3.370 1.00 0.00 C ATOM 661 C VAL A 42 5.906 5.504 -2.731 1.00 0.00 C ATOM 662 O VAL A 42 5.203 6.314 -3.333 1.00 0.00 O ATOM 663 CB VAL A 42 4.957 3.868 -4.320 1.00 0.00 C ATOM 664 CG1 VAL A 42 5.439 3.201 -5.587 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.868 3.047 -3.653 1.00 0.00 C ATOM 0 H VAL A 42 5.815 2.985 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 42 7.094 4.140 -3.906 1.00 0.00 H new ATOM 0 HB VAL A 42 4.519 4.833 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.593 3.030 -6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.167 3.844 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.906 2.247 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.047 2.894 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.273 2.081 -3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.500 3.576 -2.774 1.00 0.00 H new ATOM 675 N PRO A 43 6.433 5.847 -1.537 1.00 0.00 N ATOM 676 CA PRO A 43 6.153 7.126 -0.928 1.00 0.00 C ATOM 677 C PRO A 43 7.359 8.066 -0.850 1.00 0.00 C ATOM 678 O PRO A 43 8.048 8.318 -1.834 1.00 0.00 O ATOM 679 CB PRO A 43 5.792 6.643 0.456 1.00 0.00 C ATOM 680 CG PRO A 43 6.811 5.586 0.733 1.00 0.00 C ATOM 681 CD PRO A 43 7.245 5.054 -0.614 1.00 0.00 C ATOM 0 HA PRO A 43 5.414 7.715 -1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.841 7.449 1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.779 6.243 0.490 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.659 5.997 1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.390 4.791 1.348 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.312 5.198 -0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.048 3.987 -0.713 1.00 0.00 H new ATOM 689 N ASP A 44 7.596 8.554 0.362 1.00 0.00 N ATOM 690 CA ASP A 44 8.658 9.513 0.654 1.00 0.00 C ATOM 691 C ASP A 44 8.998 9.444 2.138 1.00 0.00 C ATOM 692 O ASP A 44 9.925 8.759 2.552 1.00 0.00 O ATOM 693 CB ASP A 44 8.208 10.936 0.285 1.00 0.00 C ATOM 694 CG ASP A 44 9.162 12.011 0.764 1.00 0.00 C ATOM 695 OD1 ASP A 44 10.227 12.198 0.137 1.00 0.00 O ATOM 696 OD2 ASP A 44 8.831 12.686 1.760 1.00 0.00 O ATOM 0 H ASP A 44 7.049 8.292 1.182 1.00 0.00 H new ATOM 0 HA ASP A 44 9.540 9.265 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.106 11.008 -0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.222 11.119 0.711 1.00 0.00 H new ATOM 701 N GLU A 45 8.205 10.153 2.922 1.00 0.00 N ATOM 702 CA GLU A 45 8.284 10.132 4.369 1.00 0.00 C ATOM 703 C GLU A 45 7.001 10.719 4.911 1.00 0.00 C ATOM 704 O GLU A 45 6.325 10.124 5.751 1.00 0.00 O ATOM 705 CB GLU A 45 9.480 10.940 4.870 1.00 0.00 C ATOM 706 CG GLU A 45 9.558 10.991 6.381 1.00 0.00 C ATOM 707 CD GLU A 45 10.721 11.810 6.886 1.00 0.00 C ATOM 708 OE1 GLU A 45 11.871 11.332 6.814 1.00 0.00 O ATOM 709 OE2 GLU A 45 10.487 12.937 7.370 1.00 0.00 O ATOM 0 H GLU A 45 7.476 10.770 2.563 1.00 0.00 H new ATOM 0 HA GLU A 45 8.417 9.106 4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.398 10.504 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.417 11.955 4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.630 11.408 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.640 9.976 6.769 1.00 0.00 H new ATOM 716 N ARG A 46 6.655 11.885 4.385 1.00 0.00 N ATOM 717 CA ARG A 46 5.367 12.491 4.687 1.00 0.00 C ATOM 718 C ARG A 46 4.344 11.863 3.762 1.00 0.00 C ATOM 719 O ARG A 46 3.177 11.674 4.102 1.00 0.00 O ATOM 720 CB ARG A 46 5.412 14.017 4.505 1.00 0.00 C ATOM 721 CG ARG A 46 5.213 14.511 3.074 1.00 0.00 C ATOM 722 CD ARG A 46 3.745 14.789 2.790 1.00 0.00 C ATOM 723 NE ARG A 46 3.170 15.734 3.747 1.00 0.00 N ATOM 724 CZ ARG A 46 1.973 15.577 4.321 1.00 0.00 C ATOM 725 NH1 ARG A 46 1.230 14.509 4.040 1.00 0.00 N ATOM 726 NH2 ARG A 46 1.521 16.485 5.176 1.00 0.00 N ATOM 0 H ARG A 46 7.243 12.427 3.752 1.00 0.00 H new ATOM 0 HA ARG A 46 5.101 12.311 5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.644 14.464 5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.374 14.381 4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.796 15.418 2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.587 13.765 2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.640 15.187 1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.186 13.854 2.824 1.00 0.00 H new ATOM 0 HE ARG A 46 3.714 16.561 3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.573 13.807 3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.317 14.393 4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.087 17.304 5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.607 16.364 5.613 1.00 0.00 H new ATOM 740 N LEU A 47 4.833 11.515 2.584 1.00 0.00 N ATOM 741 CA LEU A 47 4.030 10.885 1.566 1.00 0.00 C ATOM 742 C LEU A 47 3.763 9.441 1.971 1.00 0.00 C ATOM 743 O LEU A 47 2.703 8.901 1.700 1.00 0.00 O ATOM 744 CB LEU A 47 4.767 10.967 0.223 1.00 0.00 C ATOM 745 CG LEU A 47 3.893 10.847 -1.022 1.00 0.00 C ATOM 746 CD1 LEU A 47 4.672 11.282 -2.253 1.00 0.00 C ATOM 747 CD2 LEU A 47 3.398 9.422 -1.196 1.00 0.00 C ATOM 0 H LEU A 47 5.804 11.665 2.312 1.00 0.00 H new ATOM 0 HA LEU A 47 3.072 11.393 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.300 11.917 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.519 10.178 0.194 1.00 0.00 H new ATOM 0 HG LEU A 47 3.029 11.500 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.038 11.192 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.987 12.319 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.550 10.647 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.777 9.359 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.251 8.751 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.811 9.132 -0.325 1.00 0.00 H new ATOM 759 N ALA A 48 4.737 8.850 2.658 1.00 0.00 N ATOM 760 CA ALA A 48 4.644 7.482 3.166 1.00 0.00 C ATOM 761 C ALA A 48 3.285 7.189 3.810 1.00 0.00 C ATOM 762 O ALA A 48 2.687 6.128 3.584 1.00 0.00 O ATOM 763 CB ALA A 48 5.771 7.254 4.162 1.00 0.00 C ATOM 0 H ALA A 48 5.620 9.310 2.880 1.00 0.00 H new ATOM 0 HA ALA A 48 4.739 6.795 2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.714 6.237 4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.730 7.400 3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.677 7.962 4.986 1.00 0.00 H new ATOM 769 N GLU A 49 2.773 8.155 4.550 1.00 0.00 N ATOM 770 CA GLU A 49 1.530 7.976 5.279 1.00 0.00 C ATOM 771 C GLU A 49 0.370 8.091 4.319 1.00 0.00 C ATOM 772 O GLU A 49 -0.559 7.291 4.343 1.00 0.00 O ATOM 773 CB GLU A 49 1.401 9.023 6.380 1.00 0.00 C ATOM 774 CG GLU A 49 2.607 9.092 7.289 1.00 0.00 C ATOM 775 CD GLU A 49 2.368 9.982 8.485 1.00 0.00 C ATOM 776 OE1 GLU A 49 1.577 9.593 9.369 1.00 0.00 O ATOM 777 OE2 GLU A 49 2.957 11.078 8.545 1.00 0.00 O ATOM 0 H GLU A 49 3.200 9.075 4.663 1.00 0.00 H new ATOM 0 HA GLU A 49 1.526 6.989 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.243 10.000 5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.517 8.803 6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.861 8.088 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.463 9.464 6.726 1.00 0.00 H new ATOM 784 N GLN A 50 0.470 9.073 3.442 1.00 0.00 N ATOM 785 CA GLN A 50 -0.521 9.308 2.419 1.00 0.00 C ATOM 786 C GLN A 50 -0.662 8.076 1.529 1.00 0.00 C ATOM 787 O GLN A 50 -1.762 7.707 1.125 1.00 0.00 O ATOM 788 CB GLN A 50 -0.098 10.550 1.612 1.00 0.00 C ATOM 789 CG GLN A 50 -0.269 10.434 0.105 1.00 0.00 C ATOM 790 CD GLN A 50 -1.695 10.670 -0.367 1.00 0.00 C ATOM 791 OE1 GLN A 50 -1.918 11.160 -1.472 1.00 0.00 O ATOM 792 NE2 GLN A 50 -2.665 10.322 0.458 1.00 0.00 N ATOM 0 H GLN A 50 1.248 9.732 3.423 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.498 9.492 2.867 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.676 11.405 1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.949 10.764 1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.390 11.152 -0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.050 9.441 -0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.441 9.918 1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.639 10.457 0.186 1.00 0.00 H new ATOM 801 N VAL A 51 0.450 7.404 1.302 1.00 0.00 N ATOM 802 CA VAL A 51 0.505 6.363 0.298 1.00 0.00 C ATOM 803 C VAL A 51 -0.176 5.091 0.787 1.00 0.00 C ATOM 804 O VAL A 51 -1.143 4.658 0.196 1.00 0.00 O ATOM 805 CB VAL A 51 1.961 6.101 -0.196 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.688 5.005 0.571 1.00 0.00 C ATOM 807 CG2 VAL A 51 1.967 5.804 -1.687 1.00 0.00 C ATOM 0 H VAL A 51 1.326 7.561 1.800 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.053 6.716 -0.570 1.00 0.00 H new ATOM 0 HB VAL A 51 2.516 7.018 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.693 4.884 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.751 5.278 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.141 4.067 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.990 5.623 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.360 4.920 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.555 6.655 -2.229 1.00 0.00 H new ATOM 817 N ARG A 52 0.268 4.510 1.883 1.00 0.00 N ATOM 818 CA ARG A 52 -0.313 3.236 2.290 1.00 0.00 C ATOM 819 C ARG A 52 -1.622 3.465 3.017 1.00 0.00 C ATOM 820 O ARG A 52 -2.611 2.783 2.754 1.00 0.00 O ATOM 821 CB ARG A 52 0.657 2.408 3.145 1.00 0.00 C ATOM 822 CG ARG A 52 0.683 2.767 4.623 1.00 0.00 C ATOM 823 CD ARG A 52 1.877 2.151 5.334 1.00 0.00 C ATOM 824 NE ARG A 52 1.861 2.434 6.774 1.00 0.00 N ATOM 825 CZ ARG A 52 2.637 3.335 7.383 1.00 0.00 C ATOM 826 NH1 ARG A 52 3.450 4.100 6.678 1.00 0.00 N ATOM 827 NH2 ARG A 52 2.582 3.478 8.701 1.00 0.00 N ATOM 0 H ARG A 52 1.000 4.877 2.491 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.511 2.658 1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.394 1.355 3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.663 2.524 2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.714 3.851 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.238 2.425 5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.877 1.073 5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.798 2.537 4.898 1.00 0.00 H new ATOM 0 HE ARG A 52 1.209 1.904 7.352 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.488 4.005 5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.040 4.786 7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.947 2.900 9.251 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.175 4.166 9.164 1.00 0.00 H new ATOM 841 N GLU A 53 -1.650 4.468 3.881 1.00 0.00 N ATOM 842 CA GLU A 53 -2.808 4.695 4.710 1.00 0.00 C ATOM 843 C GLU A 53 -3.959 5.192 3.885 1.00 0.00 C ATOM 844 O GLU A 53 -5.040 4.636 3.949 1.00 0.00 O ATOM 845 CB GLU A 53 -2.512 5.686 5.833 1.00 0.00 C ATOM 846 CG GLU A 53 -1.408 5.230 6.756 1.00 0.00 C ATOM 847 CD GLU A 53 -1.751 3.937 7.457 1.00 0.00 C ATOM 848 OE1 GLU A 53 -2.582 3.963 8.389 1.00 0.00 O ATOM 849 OE2 GLU A 53 -1.210 2.891 7.072 1.00 0.00 O ATOM 0 H GLU A 53 -0.887 5.130 4.021 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.075 3.740 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.238 6.647 5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.420 5.847 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.489 5.099 6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.214 6.004 7.499 1.00 0.00 H new ATOM 856 N LEU A 54 -3.734 6.197 3.063 1.00 0.00 N ATOM 857 CA LEU A 54 -4.844 6.834 2.416 1.00 0.00 C ATOM 858 C LEU A 54 -5.193 6.106 1.159 1.00 0.00 C ATOM 859 O LEU A 54 -6.327 6.136 0.738 1.00 0.00 O ATOM 860 CB LEU A 54 -4.605 8.319 2.160 1.00 0.00 C ATOM 861 CG LEU A 54 -4.630 9.169 3.424 1.00 0.00 C ATOM 862 CD1 LEU A 54 -3.313 9.038 4.163 1.00 0.00 C ATOM 863 CD2 LEU A 54 -4.927 10.623 3.092 1.00 0.00 C ATOM 0 H LEU A 54 -2.815 6.577 2.836 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.694 6.783 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.640 8.443 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.365 8.687 1.470 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.428 8.808 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.340 9.649 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.151 7.995 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.500 9.376 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.940 11.211 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.156 11.009 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.898 10.693 2.603 1.00 0.00 H new ATOM 875 N TYR A 55 -4.256 5.388 0.577 1.00 0.00 N ATOM 876 CA TYR A 55 -4.619 4.577 -0.560 1.00 0.00 C ATOM 877 C TYR A 55 -5.600 3.519 -0.103 1.00 0.00 C ATOM 878 O TYR A 55 -6.540 3.190 -0.811 1.00 0.00 O ATOM 879 CB TYR A 55 -3.406 3.947 -1.244 1.00 0.00 C ATOM 880 CG TYR A 55 -2.681 4.890 -2.188 1.00 0.00 C ATOM 881 CD1 TYR A 55 -3.061 6.220 -2.298 1.00 0.00 C ATOM 882 CD2 TYR A 55 -1.626 4.446 -2.976 1.00 0.00 C ATOM 883 CE1 TYR A 55 -2.420 7.078 -3.164 1.00 0.00 C ATOM 884 CE2 TYR A 55 -0.973 5.303 -3.843 1.00 0.00 C ATOM 885 CZ TYR A 55 -1.376 6.617 -3.932 1.00 0.00 C ATOM 886 OH TYR A 55 -0.738 7.474 -4.803 1.00 0.00 O ATOM 0 H TYR A 55 -3.276 5.349 0.859 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.082 5.218 -1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.708 3.603 -0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.730 3.067 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.875 6.590 -1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.311 3.415 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.736 8.108 -3.240 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.152 4.944 -4.446 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.023 6.993 -5.270 1.00 0.00 H new ATOM 896 N ARG A 56 -5.401 3.031 1.116 1.00 0.00 N ATOM 897 CA ARG A 56 -6.264 2.002 1.675 1.00 0.00 C ATOM 898 C ARG A 56 -7.555 2.559 2.304 1.00 0.00 C ATOM 899 O ARG A 56 -8.319 1.801 2.904 1.00 0.00 O ATOM 900 CB ARG A 56 -5.482 1.146 2.667 1.00 0.00 C ATOM 901 CG ARG A 56 -5.346 1.756 4.034 1.00 0.00 C ATOM 902 CD ARG A 56 -4.188 1.110 4.798 1.00 0.00 C ATOM 903 NE ARG A 56 -4.052 1.606 6.167 1.00 0.00 N ATOM 904 CZ ARG A 56 -3.822 0.819 7.222 1.00 0.00 C ATOM 905 NH1 ARG A 56 -3.796 -0.504 7.080 1.00 0.00 N ATOM 906 NH2 ARG A 56 -3.614 1.360 8.417 1.00 0.00 N ATOM 0 H ARG A 56 -4.649 3.333 1.735 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.593 1.377 0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.974 0.178 2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.487 0.960 2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.176 2.829 3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.274 1.626 4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.335 0.030 4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.259 1.293 4.258 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.138 2.610 6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.952 -0.922 6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.620 -1.100 7.889 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.630 2.374 8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.438 0.762 9.224 1.00 0.00 H new ATOM 920 N ARG A 57 -7.822 3.867 2.180 1.00 0.00 N ATOM 921 CA ARG A 57 -9.020 4.431 2.818 1.00 0.00 C ATOM 922 C ARG A 57 -9.644 5.612 2.060 1.00 0.00 C ATOM 923 O ARG A 57 -10.834 5.866 2.198 1.00 0.00 O ATOM 924 CB ARG A 57 -8.735 4.821 4.273 1.00 0.00 C ATOM 925 CG ARG A 57 -7.536 5.732 4.484 1.00 0.00 C ATOM 926 CD ARG A 57 -7.176 5.840 5.957 1.00 0.00 C ATOM 927 NE ARG A 57 -8.219 6.512 6.740 1.00 0.00 N ATOM 928 CZ ARG A 57 -9.040 5.892 7.597 1.00 0.00 C ATOM 929 NH1 ARG A 57 -8.930 4.587 7.817 1.00 0.00 N ATOM 930 NH2 ARG A 57 -9.971 6.586 8.239 1.00 0.00 N ATOM 0 H ARG A 57 -7.248 4.534 1.664 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.762 3.633 2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.619 5.313 4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.583 3.910 4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.682 5.348 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.756 6.723 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.008 4.842 6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.239 6.387 6.060 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.326 7.520 6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.215 4.046 7.331 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.561 4.125 8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.060 7.589 8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.598 6.116 8.892 1.00 0.00 H new ATOM 944 N TYR A 58 -8.852 6.346 1.298 1.00 0.00 N ATOM 945 CA TYR A 58 -9.378 7.435 0.461 1.00 0.00 C ATOM 946 C TYR A 58 -9.370 7.057 -1.041 1.00 0.00 C ATOM 947 O TYR A 58 -10.428 6.827 -1.595 1.00 0.00 O ATOM 948 CB TYR A 58 -8.636 8.758 0.726 1.00 0.00 C ATOM 949 CG TYR A 58 -8.943 9.409 2.050 1.00 0.00 C ATOM 950 CD1 TYR A 58 -8.987 8.660 3.201 1.00 0.00 C ATOM 951 CD2 TYR A 58 -9.155 10.778 2.147 1.00 0.00 C ATOM 952 CE1 TYR A 58 -9.236 9.236 4.425 1.00 0.00 C ATOM 953 CE2 TYR A 58 -9.412 11.371 3.370 1.00 0.00 C ATOM 954 CZ TYR A 58 -9.450 10.593 4.510 1.00 0.00 C ATOM 955 OH TYR A 58 -9.687 11.172 5.737 1.00 0.00 O ATOM 0 H TYR A 58 -7.842 6.216 1.235 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.420 7.590 0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.563 8.573 0.670 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.880 9.460 -0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.822 7.594 3.143 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.119 11.387 1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.263 8.626 5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.582 12.436 3.433 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.817 12.137 5.624 1.00 0.00 H new ATOM 965 N PRO A 59 -8.211 7.043 -1.753 1.00 0.00 N ATOM 966 CA PRO A 59 -8.098 6.432 -3.092 1.00 0.00 C ATOM 967 C PRO A 59 -8.888 5.130 -3.310 1.00 0.00 C ATOM 968 O PRO A 59 -9.570 4.998 -4.323 1.00 0.00 O ATOM 969 CB PRO A 59 -6.601 6.184 -3.167 1.00 0.00 C ATOM 970 CG PRO A 59 -6.041 7.414 -2.568 1.00 0.00 C ATOM 971 CD PRO A 59 -6.947 7.743 -1.422 1.00 0.00 C ATOM 0 HA PRO A 59 -8.524 7.074 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.309 5.293 -2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.264 6.043 -4.194 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.018 7.255 -2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.013 8.227 -3.293 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.535 7.396 -0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.099 8.818 -1.329 1.00 0.00 H new ATOM 979 N GLU A 60 -8.803 4.172 -2.391 1.00 0.00 N ATOM 980 CA GLU A 60 -9.549 2.923 -2.550 1.00 0.00 C ATOM 981 C GLU A 60 -10.862 3.050 -1.827 1.00 0.00 C ATOM 982 O GLU A 60 -11.882 2.496 -2.227 1.00 0.00 O ATOM 983 CB GLU A 60 -8.765 1.733 -2.013 1.00 0.00 C ATOM 984 CG GLU A 60 -8.624 0.625 -3.026 1.00 0.00 C ATOM 985 CD GLU A 60 -9.935 -0.067 -3.342 1.00 0.00 C ATOM 986 OE1 GLU A 60 -10.690 0.449 -4.191 1.00 0.00 O ATOM 987 OE2 GLU A 60 -10.213 -1.130 -2.741 1.00 0.00 O ATOM 0 H GLU A 60 -8.238 4.231 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.720 2.747 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.774 2.065 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.263 1.346 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.206 1.034 -3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.913 -0.112 -2.652 1.00 0.00 H new ATOM 994 N GLY A 61 -10.809 3.828 -0.767 1.00 0.00 N ATOM 995 CA GLY A 61 -12.006 4.235 -0.056 1.00 0.00 C ATOM 996 C GLY A 61 -12.766 5.299 -0.818 1.00 0.00 C ATOM 997 O GLY A 61 -13.495 6.113 -0.253 1.00 0.00 O ATOM 0 H GLY A 61 -9.942 4.195 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.649 3.369 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.735 4.615 0.929 1.00 0.00 H new ATOM 1001 N ASP A 62 -12.563 5.279 -2.113 1.00 0.00 N ATOM 1002 CA ASP A 62 -13.222 6.177 -3.036 1.00 0.00 C ATOM 1003 C ASP A 62 -14.665 5.721 -3.160 1.00 0.00 C ATOM 1004 O ASP A 62 -15.008 4.645 -2.657 1.00 0.00 O ATOM 1005 CB ASP A 62 -12.488 6.084 -4.390 1.00 0.00 C ATOM 1006 CG ASP A 62 -12.894 7.132 -5.411 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -12.527 8.316 -5.240 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -13.558 6.773 -6.407 1.00 0.00 O ATOM 0 H ASP A 62 -11.923 4.626 -2.566 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.202 7.213 -2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.416 6.168 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.664 5.096 -4.815 1.00 0.00 H new ATOM 1013 N PRO A 63 -15.555 6.528 -3.754 1.00 0.00 N ATOM 1014 CA PRO A 63 -16.846 6.037 -4.253 1.00 0.00 C ATOM 1015 C PRO A 63 -16.650 4.922 -5.295 1.00 0.00 C ATOM 1016 O PRO A 63 -17.197 4.973 -6.397 1.00 0.00 O ATOM 1017 CB PRO A 63 -17.491 7.277 -4.895 1.00 0.00 C ATOM 1018 CG PRO A 63 -16.388 8.276 -5.029 1.00 0.00 C ATOM 1019 CD PRO A 63 -15.424 7.981 -3.916 1.00 0.00 C ATOM 0 HA PRO A 63 -17.460 5.602 -3.464 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.923 7.036 -5.866 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.299 7.665 -4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.900 8.191 -6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.772 9.293 -4.953 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.405 8.270 -4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.684 8.516 -3.002 1.00 0.00 H new ATOM 1027 N GLN A 64 -15.862 3.921 -4.915 1.00 0.00 N ATOM 1028 CA GLN A 64 -15.470 2.840 -5.791 1.00 0.00 C ATOM 1029 C GLN A 64 -15.604 1.510 -5.064 1.00 0.00 C ATOM 1030 O GLN A 64 -16.439 0.683 -5.428 1.00 0.00 O ATOM 1031 CB GLN A 64 -14.017 3.014 -6.244 1.00 0.00 C ATOM 1032 CG GLN A 64 -13.614 2.078 -7.373 1.00 0.00 C ATOM 1033 CD GLN A 64 -12.122 2.103 -7.660 1.00 0.00 C ATOM 1034 OE1 GLN A 64 -11.698 1.921 -8.803 1.00 0.00 O ATOM 1035 NE2 GLN A 64 -11.315 2.294 -6.628 1.00 0.00 N ATOM 0 H GLN A 64 -15.476 3.844 -3.974 1.00 0.00 H new ATOM 0 HA GLN A 64 -16.123 2.854 -6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.867 4.044 -6.567 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.357 2.847 -5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.913 1.061 -7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.157 2.353 -8.277 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.704 2.441 -5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.304 2.294 -6.764 1.00 0.00 H new ATOM 1044 N ALA A 65 -14.798 1.305 -4.015 1.00 0.00 N ATOM 1045 CA ALA A 65 -14.714 -0.012 -3.408 1.00 0.00 C ATOM 1046 C ALA A 65 -14.552 0.028 -1.896 1.00 0.00 C ATOM 1047 O ALA A 65 -15.515 -0.140 -1.147 1.00 0.00 O ATOM 1048 CB ALA A 65 -13.558 -0.768 -4.036 1.00 0.00 C ATOM 0 H ALA A 65 -14.212 2.020 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.660 -0.519 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.485 -1.759 -3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.727 -0.866 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.630 -0.223 -3.864 1.00 0.00 H new ATOM 1054 N THR A 66 -13.327 0.234 -1.458 1.00 0.00 N ATOM 1055 CA THR A 66 -12.981 0.192 -0.059 1.00 0.00 C ATOM 1056 C THR A 66 -13.540 1.423 0.671 1.00 0.00 C ATOM 1057 O THR A 66 -14.015 2.352 0.021 1.00 0.00 O ATOM 1058 CB THR A 66 -11.438 0.084 0.034 1.00 0.00 C ATOM 1059 OG1 THR A 66 -11.033 -1.253 -0.273 1.00 0.00 O ATOM 1060 CG2 THR A 66 -10.873 0.494 1.377 1.00 0.00 C ATOM 0 H THR A 66 -12.538 0.437 -2.072 1.00 0.00 H new ATOM 0 HA THR A 66 -13.426 -0.672 0.435 1.00 0.00 H new ATOM 0 HB THR A 66 -11.035 0.789 -0.693 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.938 -1.351 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.788 0.390 1.362 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.136 1.532 1.581 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.288 -0.145 2.157 1.00 0.00 H new ATOM 1068 N LEU A 67 -13.565 1.369 2.009 1.00 0.00 N ATOM 1069 CA LEU A 67 -13.873 2.515 2.857 1.00 0.00 C ATOM 1070 C LEU A 67 -14.029 2.053 4.298 1.00 0.00 C ATOM 1071 O LEU A 67 -15.006 1.382 4.633 1.00 0.00 O ATOM 1072 CB LEU A 67 -15.137 3.253 2.415 1.00 0.00 C ATOM 1073 CG LEU A 67 -15.206 4.684 2.923 1.00 0.00 C ATOM 1074 CD1 LEU A 67 -13.886 5.380 2.639 1.00 0.00 C ATOM 1075 CD2 LEU A 67 -16.355 5.431 2.269 1.00 0.00 C ATOM 0 H LEU A 67 -13.369 0.516 2.533 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.043 3.216 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.184 3.259 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -16.011 2.706 2.769 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.384 4.674 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -13.931 6.407 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.079 4.851 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.700 5.382 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.386 6.453 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.210 5.448 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -17.294 4.929 2.502 1.00 0.00 H new ATOM 1087 N GLU A 68 -13.051 2.406 5.134 1.00 0.00 N ATOM 1088 CA GLU A 68 -12.999 1.958 6.532 1.00 0.00 C ATOM 1089 C GLU A 68 -13.138 0.440 6.631 1.00 0.00 C ATOM 1090 O GLU A 68 -13.636 -0.095 7.621 1.00 0.00 O ATOM 1091 CB GLU A 68 -14.076 2.651 7.378 1.00 0.00 C ATOM 1092 CG GLU A 68 -13.758 4.101 7.725 1.00 0.00 C ATOM 1093 CD GLU A 68 -13.713 5.013 6.514 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -12.658 5.077 5.852 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -14.734 5.676 6.230 1.00 0.00 O ATOM 0 H GLU A 68 -12.273 3.009 4.865 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.023 2.238 6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.023 2.617 6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.214 2.089 8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.508 4.473 8.423 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.797 4.142 8.238 1.00 0.00 H new ATOM 1102 N ALA A 69 -12.686 -0.244 5.594 1.00 0.00 N ATOM 1103 CA ALA A 69 -12.756 -1.692 5.537 1.00 0.00 C ATOM 1104 C ALA A 69 -11.407 -2.270 5.185 1.00 0.00 C ATOM 1105 O ALA A 69 -11.292 -3.464 4.924 1.00 0.00 O ATOM 1106 CB ALA A 69 -13.764 -2.127 4.501 1.00 0.00 C ATOM 0 H ALA A 69 -12.262 0.187 4.772 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.062 -2.056 6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.806 -3.216 4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.746 -1.733 4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.468 -1.746 3.523 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.407 -1.391 5.144 1.00 0.00 N ATOM 1113 CA ALA A 70 -9.031 -1.767 4.819 1.00 0.00 C ATOM 1114 C ALA A 70 -8.636 -3.050 5.537 1.00 0.00 C ATOM 1115 O ALA A 70 -8.397 -3.050 6.747 1.00 0.00 O ATOM 1116 CB ALA A 70 -8.080 -0.638 5.191 1.00 0.00 C ATOM 0 H ALA A 70 -10.528 -0.396 5.335 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.967 -1.945 3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.058 -0.927 4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.347 0.261 4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.153 -0.438 6.260 1.00 0.00 H new TER 1122 ALA A 70