USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=9 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+ 139:sc= 0.0172 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.829 X(o=-0.83,f=-0.53) USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0488) USER MOD Single : A 12 SER OG : rot 180:sc= -0.188 USER MOD Single : A 26 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.49) USER MOD Single : A 29 HIS : no HD1:sc= -7.93! C(o=-7.9!,f=-8!) USER MOD Single : A 32 SER OG : rot -100:sc= 0.97 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -5.98! K(o=-6!,f=-1) USER MOD Single : A 38 GLN : amide:sc= -7.68! C(o=-7.7!,f=-3.7!) USER MOD Single : A 50 GLN : amide:sc= -2.57 K(o=-2.6,f=-0.13) 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= 0.359 X(o=0.36,f=-0.0073) USER MOD Single : A 66 THR OG1 : rot 120:sc= -0.0853 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.094 8.482 -1.098 1.00 0.00 N ATOM 2 CA MET A 1 13.149 9.145 -1.991 1.00 0.00 C ATOM 3 C MET A 1 12.740 8.230 -3.135 1.00 0.00 C ATOM 4 O MET A 1 13.576 7.511 -3.686 1.00 0.00 O ATOM 5 CB MET A 1 13.771 10.427 -2.553 1.00 0.00 C ATOM 6 CG MET A 1 12.851 11.192 -3.493 1.00 0.00 C ATOM 7 SD MET A 1 13.644 12.644 -4.217 1.00 0.00 S ATOM 8 CE MET A 1 12.321 13.276 -5.247 1.00 0.00 C ATOM 0 H1 MET A 1 14.836 9.154 -0.817 1.00 0.00 H new ATOM 0 H2 MET A 1 13.593 8.145 -0.251 1.00 0.00 H new ATOM 0 H3 MET A 1 14.527 7.674 -1.589 1.00 0.00 H new ATOM 0 HA MET A 1 12.258 9.394 -1.415 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.052 11.077 -1.725 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.688 10.173 -3.084 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.521 10.528 -4.292 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.960 11.504 -2.948 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.659 14.176 -5.762 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.040 12.522 -5.982 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.459 13.516 -4.625 1.00 0.00 H new ATOM 18 N SER A 2 11.454 8.273 -3.483 1.00 0.00 N ATOM 19 CA SER A 2 10.898 7.450 -4.551 1.00 0.00 C ATOM 20 C SER A 2 10.951 5.972 -4.184 1.00 0.00 C ATOM 21 O SER A 2 11.996 5.325 -4.305 1.00 0.00 O ATOM 22 CB SER A 2 11.626 7.699 -5.873 1.00 0.00 C ATOM 23 OG SER A 2 11.570 9.069 -6.235 1.00 0.00 O ATOM 0 H SER A 2 10.770 8.880 -3.031 1.00 0.00 H new ATOM 0 HA SER A 2 9.854 7.734 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.666 7.385 -5.784 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.176 7.093 -6.659 1.00 0.00 H new ATOM 0 HG SER A 2 12.044 9.203 -7.082 1.00 0.00 H new ATOM 29 N ALA A 3 9.808 5.459 -3.738 1.00 0.00 N ATOM 30 CA ALA A 3 9.674 4.066 -3.323 1.00 0.00 C ATOM 31 C ALA A 3 10.458 3.796 -2.054 1.00 0.00 C ATOM 32 O ALA A 3 11.610 3.367 -2.088 1.00 0.00 O ATOM 33 CB ALA A 3 10.094 3.127 -4.438 1.00 0.00 C ATOM 0 H ALA A 3 8.947 5.999 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 3 8.622 3.879 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.985 2.095 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.464 3.295 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.135 3.316 -4.700 1.00 0.00 H new ATOM 39 N VAL A 4 9.804 4.033 -0.935 1.00 0.00 N ATOM 40 CA VAL A 4 10.404 3.825 0.371 1.00 0.00 C ATOM 41 C VAL A 4 9.550 2.853 1.169 1.00 0.00 C ATOM 42 O VAL A 4 8.335 2.765 0.961 1.00 0.00 O ATOM 43 CB VAL A 4 10.557 5.152 1.153 1.00 0.00 C ATOM 44 CG1 VAL A 4 9.238 5.607 1.742 1.00 0.00 C ATOM 45 CG2 VAL A 4 11.606 5.023 2.246 1.00 0.00 C ATOM 0 H VAL A 4 8.843 4.375 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 4 11.402 3.413 0.222 1.00 0.00 H new ATOM 0 HB VAL A 4 10.887 5.909 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.384 6.541 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.516 5.762 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.863 4.846 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.693 5.969 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.310 4.239 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.567 4.768 1.800 1.00 0.00 H new ATOM 55 N GLN A 5 10.188 2.108 2.052 1.00 0.00 N ATOM 56 CA GLN A 5 9.500 1.114 2.840 1.00 0.00 C ATOM 57 C GLN A 5 8.535 1.804 3.790 1.00 0.00 C ATOM 58 O GLN A 5 8.941 2.444 4.759 1.00 0.00 O ATOM 59 CB GLN A 5 10.534 0.281 3.611 1.00 0.00 C ATOM 60 CG GLN A 5 10.047 -1.082 4.086 1.00 0.00 C ATOM 61 CD GLN A 5 9.028 -1.003 5.201 1.00 0.00 C ATOM 62 OE1 GLN A 5 9.381 -0.967 6.382 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.759 -1.005 4.836 1.00 0.00 N ATOM 0 H GLN A 5 11.188 2.177 2.239 1.00 0.00 H new ATOM 0 HA GLN A 5 8.928 0.447 2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.407 0.135 2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.864 0.853 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.611 -1.617 3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.902 -1.666 4.426 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.513 -1.036 3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.025 -0.976 5.543 1.00 0.00 H new ATOM 72 N VAL A 6 7.259 1.664 3.490 1.00 0.00 N ATOM 73 CA VAL A 6 6.213 2.170 4.351 1.00 0.00 C ATOM 74 C VAL A 6 5.040 1.225 4.320 1.00 0.00 C ATOM 75 O VAL A 6 4.260 1.132 5.263 1.00 0.00 O ATOM 76 CB VAL A 6 5.752 3.589 3.940 1.00 0.00 C ATOM 77 CG1 VAL A 6 4.857 3.555 2.711 1.00 0.00 C ATOM 78 CG2 VAL A 6 5.049 4.258 5.109 1.00 0.00 C ATOM 0 H VAL A 6 6.921 1.199 2.647 1.00 0.00 H new ATOM 0 HA VAL A 6 6.618 2.239 5.361 1.00 0.00 H new ATOM 0 HB VAL A 6 6.633 4.173 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.554 4.570 2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.403 3.116 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.972 2.955 2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.726 5.257 4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.181 3.666 5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.735 4.332 5.953 1.00 0.00 H new ATOM 88 N LEU A 7 4.951 0.484 3.242 1.00 0.00 N ATOM 89 CA LEU A 7 3.835 -0.379 3.018 1.00 0.00 C ATOM 90 C LEU A 7 4.336 -1.809 2.977 1.00 0.00 C ATOM 91 O LEU A 7 5.507 -2.045 2.702 1.00 0.00 O ATOM 92 CB LEU A 7 3.172 0.036 1.698 1.00 0.00 C ATOM 93 CG LEU A 7 1.662 -0.238 1.599 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.076 0.358 0.340 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.338 -1.713 1.644 1.00 0.00 C ATOM 0 H LEU A 7 5.652 0.468 2.502 1.00 0.00 H new ATOM 0 HA LEU A 7 3.094 -0.304 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.340 1.102 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.672 -0.485 0.881 1.00 0.00 H new ATOM 0 HG LEU A 7 1.214 0.238 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.007 0.146 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.233 1.437 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.565 -0.079 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.259 -1.851 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.826 -2.218 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.695 -2.135 2.583 1.00 0.00 H new ATOM 107 N LYS A 8 3.476 -2.748 3.311 1.00 0.00 N ATOM 108 CA LYS A 8 3.777 -4.143 3.165 1.00 0.00 C ATOM 109 C LYS A 8 2.483 -4.923 3.085 1.00 0.00 C ATOM 110 O LYS A 8 1.476 -4.544 3.685 1.00 0.00 O ATOM 111 CB LYS A 8 4.661 -4.667 4.305 1.00 0.00 C ATOM 112 CG LYS A 8 4.015 -4.685 5.679 1.00 0.00 C ATOM 113 CD LYS A 8 4.575 -3.596 6.576 1.00 0.00 C ATOM 114 CE LYS A 8 3.707 -2.338 6.536 1.00 0.00 C ATOM 115 NZ LYS A 8 2.433 -2.509 7.288 1.00 0.00 N ATOM 0 H LYS A 8 2.549 -2.558 3.691 1.00 0.00 H new ATOM 0 HA LYS A 8 4.346 -4.277 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.978 -5.680 4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.561 -4.054 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.938 -4.554 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.175 -5.658 6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.639 -3.963 7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.589 -3.350 6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.265 -1.500 6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.484 -2.085 5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.982 -1.582 7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.794 -3.130 6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.632 -2.935 8.216 1.00 0.00 H new ATOM 129 N PHE A 9 2.513 -5.984 2.320 1.00 0.00 N ATOM 130 CA PHE A 9 1.375 -6.850 2.151 1.00 0.00 C ATOM 131 C PHE A 9 1.753 -8.253 2.580 1.00 0.00 C ATOM 132 O PHE A 9 2.349 -9.016 1.826 1.00 0.00 O ATOM 133 CB PHE A 9 0.851 -6.839 0.711 1.00 0.00 C ATOM 134 CG PHE A 9 1.781 -6.283 -0.312 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.083 -6.683 -0.330 1.00 0.00 C ATOM 136 CD2 PHE A 9 1.345 -5.371 -1.251 1.00 0.00 C ATOM 137 CE1 PHE A 9 3.964 -6.192 -1.257 1.00 0.00 C ATOM 138 CE2 PHE A 9 2.217 -4.872 -2.193 1.00 0.00 C ATOM 139 CZ PHE A 9 3.533 -5.282 -2.192 1.00 0.00 C ATOM 0 H PHE A 9 3.336 -6.274 1.792 1.00 0.00 H new ATOM 0 HA PHE A 9 0.563 -6.481 2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.598 -7.861 0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.074 -6.263 0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.427 -7.401 0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.315 -5.047 -1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.993 -6.519 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.871 -4.162 -2.930 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.223 -4.889 -2.924 1.00 0.00 H new ATOM 149 N PRO A 10 1.451 -8.544 3.842 1.00 0.00 N ATOM 150 CA PRO A 10 1.657 -9.822 4.511 1.00 0.00 C ATOM 151 C PRO A 10 1.751 -11.040 3.602 1.00 0.00 C ATOM 152 O PRO A 10 0.730 -11.631 3.270 1.00 0.00 O ATOM 153 CB PRO A 10 0.371 -9.904 5.299 1.00 0.00 C ATOM 154 CG PRO A 10 0.065 -8.491 5.695 1.00 0.00 C ATOM 155 CD PRO A 10 0.842 -7.598 4.776 1.00 0.00 C ATOM 0 HA PRO A 10 2.602 -9.845 5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.433 -10.328 4.698 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.485 -10.543 6.175 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.003 -8.291 5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.345 -8.313 6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.196 -6.884 4.265 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.594 -7.020 5.314 1.00 0.00 H new ATOM 163 N LEU A 11 2.977 -11.475 3.305 1.00 0.00 N ATOM 164 CA LEU A 11 3.211 -12.592 2.376 1.00 0.00 C ATOM 165 C LEU A 11 2.713 -13.905 2.972 1.00 0.00 C ATOM 166 O LEU A 11 2.663 -14.935 2.303 1.00 0.00 O ATOM 167 CB LEU A 11 4.714 -12.690 2.031 1.00 0.00 C ATOM 168 CG LEU A 11 5.631 -13.424 3.033 1.00 0.00 C ATOM 169 CD1 LEU A 11 7.096 -13.162 2.709 1.00 0.00 C ATOM 170 CD2 LEU A 11 5.349 -13.002 4.458 1.00 0.00 C ATOM 0 H LEU A 11 3.829 -11.071 3.694 1.00 0.00 H new ATOM 0 HA LEU A 11 2.652 -12.403 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.805 -13.187 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.097 -11.677 1.905 1.00 0.00 H new ATOM 0 HG LEU A 11 5.422 -14.490 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.727 -13.688 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.316 -13.519 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.296 -12.092 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.013 -13.539 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.517 -11.930 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.313 -13.232 4.707 1.00 0.00 H new ATOM 182 N SER A 12 2.335 -13.824 4.230 1.00 0.00 N ATOM 183 CA SER A 12 1.963 -14.967 5.022 1.00 0.00 C ATOM 184 C SER A 12 0.451 -15.100 5.168 1.00 0.00 C ATOM 185 O SER A 12 -0.040 -16.107 5.673 1.00 0.00 O ATOM 186 CB SER A 12 2.585 -14.787 6.398 1.00 0.00 C ATOM 187 OG SER A 12 3.985 -14.988 6.357 1.00 0.00 O ATOM 0 H SER A 12 2.278 -12.941 4.737 1.00 0.00 H new ATOM 0 HA SER A 12 2.318 -15.872 4.528 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.370 -13.785 6.769 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.134 -15.490 7.098 1.00 0.00 H new ATOM 0 HG SER A 12 4.360 -14.865 7.254 1.00 0.00 H new ATOM 193 N VAL A 13 -0.290 -14.097 4.723 1.00 0.00 N ATOM 194 CA VAL A 13 -1.706 -14.040 5.022 1.00 0.00 C ATOM 195 C VAL A 13 -2.498 -13.887 3.745 1.00 0.00 C ATOM 196 O VAL A 13 -1.951 -13.958 2.643 1.00 0.00 O ATOM 197 CB VAL A 13 -2.043 -12.874 6.000 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.950 -12.693 7.043 1.00 0.00 C ATOM 199 CG2 VAL A 13 -2.298 -11.568 5.257 1.00 0.00 C ATOM 0 H VAL A 13 0.063 -13.322 4.161 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.980 -14.975 5.512 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.964 -13.147 6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.215 -11.872 7.709 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.844 -13.611 7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.007 -12.466 6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.529 -10.781 5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.409 -11.292 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.138 -11.696 4.575 1.00 0.00 H new ATOM 209 N ASP A 14 -3.780 -13.686 3.916 1.00 0.00 N ATOM 210 CA ASP A 14 -4.688 -13.432 2.810 1.00 0.00 C ATOM 211 C ASP A 14 -4.506 -12.001 2.320 1.00 0.00 C ATOM 212 O ASP A 14 -5.423 -11.176 2.334 1.00 0.00 O ATOM 213 CB ASP A 14 -6.118 -13.683 3.257 1.00 0.00 C ATOM 214 CG ASP A 14 -7.093 -13.702 2.097 1.00 0.00 C ATOM 215 OD1 ASP A 14 -6.856 -14.462 1.135 1.00 0.00 O ATOM 216 OD2 ASP A 14 -8.105 -12.971 2.147 1.00 0.00 O ATOM 0 H ASP A 14 -4.233 -13.693 4.830 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.466 -14.107 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.168 -14.635 3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.415 -12.909 3.965 1.00 0.00 H new ATOM 221 N LEU A 15 -3.284 -11.724 1.904 1.00 0.00 N ATOM 222 CA LEU A 15 -2.869 -10.414 1.471 1.00 0.00 C ATOM 223 C LEU A 15 -3.673 -9.902 0.290 1.00 0.00 C ATOM 224 O LEU A 15 -3.747 -8.710 0.109 1.00 0.00 O ATOM 225 CB LEU A 15 -1.383 -10.449 1.149 1.00 0.00 C ATOM 226 CG LEU A 15 -0.886 -11.756 0.541 1.00 0.00 C ATOM 227 CD1 LEU A 15 -1.459 -11.969 -0.846 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.603 -11.756 0.463 1.00 0.00 C ATOM 0 H LEU A 15 -2.541 -12.422 1.859 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.057 -9.713 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.157 -9.636 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.824 -10.256 2.064 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.220 -12.569 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.086 -12.909 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.547 -12.004 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.156 -11.147 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.945 -12.695 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.935 -10.925 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.020 -11.648 1.464 1.00 0.00 H new ATOM 240 N ALA A 16 -4.277 -10.795 -0.500 1.00 0.00 N ATOM 241 CA ALA A 16 -5.147 -10.414 -1.636 1.00 0.00 C ATOM 242 C ALA A 16 -6.135 -9.306 -1.279 1.00 0.00 C ATOM 243 O ALA A 16 -6.703 -8.657 -2.155 1.00 0.00 O ATOM 244 CB ALA A 16 -5.902 -11.626 -2.150 1.00 0.00 C ATOM 0 H ALA A 16 -4.182 -11.803 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.492 -10.025 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.538 -11.331 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.192 -12.382 -2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.520 -12.036 -1.351 1.00 0.00 H new ATOM 250 N GLY A 17 -6.298 -9.079 0.006 1.00 0.00 N ATOM 251 CA GLY A 17 -7.163 -8.030 0.475 1.00 0.00 C ATOM 252 C GLY A 17 -6.466 -6.685 0.423 1.00 0.00 C ATOM 253 O GLY A 17 -7.063 -5.688 0.033 1.00 0.00 O ATOM 0 H GLY A 17 -5.838 -9.612 0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.066 -7.999 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.476 -8.242 1.497 1.00 0.00 H new ATOM 257 N PHE A 18 -5.190 -6.659 0.798 1.00 0.00 N ATOM 258 CA PHE A 18 -4.422 -5.425 0.780 1.00 0.00 C ATOM 259 C PHE A 18 -3.625 -5.320 -0.511 1.00 0.00 C ATOM 260 O PHE A 18 -3.594 -4.276 -1.154 1.00 0.00 O ATOM 261 CB PHE A 18 -3.461 -5.351 1.955 1.00 0.00 C ATOM 262 CG PHE A 18 -3.004 -3.947 2.248 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.422 -2.887 1.450 1.00 0.00 C ATOM 264 CD2 PHE A 18 -2.172 -3.679 3.322 1.00 0.00 C ATOM 265 CE1 PHE A 18 -3.018 -1.598 1.720 1.00 0.00 C ATOM 266 CE2 PHE A 18 -1.761 -2.385 3.593 1.00 0.00 C ATOM 267 CZ PHE A 18 -2.186 -1.346 2.787 1.00 0.00 C ATOM 0 H PHE A 18 -4.671 -7.477 1.116 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.131 -4.600 0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.945 -5.763 2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.592 -5.975 1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.071 -3.077 0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.840 -4.488 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.354 -0.785 1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.110 -2.188 4.432 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.865 -0.336 2.994 1.00 0.00 H new ATOM 277 N VAL A 19 -2.970 -6.410 -0.878 1.00 0.00 N ATOM 278 CA VAL A 19 -2.204 -6.468 -2.086 1.00 0.00 C ATOM 279 C VAL A 19 -3.113 -6.176 -3.244 1.00 0.00 C ATOM 280 O VAL A 19 -2.749 -5.514 -4.200 1.00 0.00 O ATOM 281 CB VAL A 19 -1.594 -7.879 -2.277 1.00 0.00 C ATOM 282 CG1 VAL A 19 -1.004 -8.399 -1.024 1.00 0.00 C ATOM 283 CG2 VAL A 19 -2.557 -8.889 -2.880 1.00 0.00 C ATOM 0 H VAL A 19 -2.962 -7.275 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.397 -5.738 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.795 -7.746 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.587 -9.390 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.213 -7.728 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.776 -8.462 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.057 -9.852 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.425 -8.998 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.881 -8.542 -3.861 1.00 0.00 H new ATOM 293 N GLY A 20 -4.316 -6.677 -3.100 1.00 0.00 N ATOM 294 CA GLY A 20 -5.360 -6.398 -4.034 1.00 0.00 C ATOM 295 C GLY A 20 -5.754 -4.961 -3.936 1.00 0.00 C ATOM 296 O GLY A 20 -5.887 -4.295 -4.940 1.00 0.00 O ATOM 0 H GLY A 20 -4.591 -7.288 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.025 -6.625 -5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.221 -7.035 -3.833 1.00 0.00 H new ATOM 300 N LEU A 21 -5.821 -4.463 -2.711 1.00 0.00 N ATOM 301 CA LEU A 21 -6.334 -3.130 -2.448 1.00 0.00 C ATOM 302 C LEU A 21 -5.569 -2.061 -3.226 1.00 0.00 C ATOM 303 O LEU A 21 -6.178 -1.215 -3.870 1.00 0.00 O ATOM 304 CB LEU A 21 -6.296 -2.842 -0.947 1.00 0.00 C ATOM 305 CG LEU A 21 -7.038 -1.584 -0.507 1.00 0.00 C ATOM 306 CD1 LEU A 21 -7.546 -1.742 0.915 1.00 0.00 C ATOM 307 CD2 LEU A 21 -6.130 -0.373 -0.599 1.00 0.00 C ATOM 0 H LEU A 21 -5.523 -4.969 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.368 -3.095 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.718 -3.697 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.255 -2.758 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.888 -1.437 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.073 -0.837 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.226 -2.592 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.704 -1.911 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.675 0.516 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.264 -0.518 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.797 -0.245 -1.629 1.00 0.00 H new ATOM 319 N LEU A 22 -4.240 -2.096 -3.208 1.00 0.00 N ATOM 320 CA LEU A 22 -3.502 -1.055 -3.900 1.00 0.00 C ATOM 321 C LEU A 22 -3.243 -1.426 -5.345 1.00 0.00 C ATOM 322 O LEU A 22 -3.014 -0.569 -6.209 1.00 0.00 O ATOM 323 CB LEU A 22 -2.204 -0.645 -3.216 1.00 0.00 C ATOM 324 CG LEU A 22 -1.232 -1.705 -2.660 1.00 0.00 C ATOM 325 CD1 LEU A 22 -1.504 -1.992 -1.197 1.00 0.00 C ATOM 326 CD2 LEU A 22 -1.244 -2.996 -3.438 1.00 0.00 C ATOM 0 H LEU A 22 -3.674 -2.805 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.152 -0.180 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.644 -0.041 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.473 0.009 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.239 -1.270 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.801 -2.743 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.384 -1.076 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.522 -2.363 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.537 -3.696 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.245 -3.426 -3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.958 -2.801 -4.472 1.00 0.00 H new ATOM 338 N ARG A 23 -3.242 -2.711 -5.590 1.00 0.00 N ATOM 339 CA ARG A 23 -3.153 -3.230 -6.941 1.00 0.00 C ATOM 340 C ARG A 23 -4.403 -2.801 -7.698 1.00 0.00 C ATOM 341 O ARG A 23 -4.402 -2.626 -8.915 1.00 0.00 O ATOM 342 CB ARG A 23 -3.045 -4.740 -6.853 1.00 0.00 C ATOM 343 CG ARG A 23 -2.420 -5.420 -8.055 1.00 0.00 C ATOM 344 CD ARG A 23 -3.484 -6.037 -8.931 1.00 0.00 C ATOM 345 NE ARG A 23 -4.021 -5.088 -9.907 1.00 0.00 N ATOM 346 CZ ARG A 23 -3.890 -5.218 -11.228 1.00 0.00 C ATOM 347 NH1 ARG A 23 -3.168 -6.210 -11.739 1.00 0.00 N ATOM 348 NH2 ARG A 23 -4.456 -4.332 -12.040 1.00 0.00 N ATOM 0 H ARG A 23 -3.302 -3.428 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.281 -2.847 -7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.460 -4.994 -5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.044 -5.150 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.843 -4.696 -8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.724 -6.190 -7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.066 -6.896 -9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.295 -6.409 -8.305 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.528 -4.276 -9.555 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.709 -6.878 -11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.072 -6.303 -12.750 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.990 -3.554 -11.653 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.357 -4.430 -13.050 1.00 0.00 H new ATOM 362 N ARG A 24 -5.452 -2.597 -6.925 1.00 0.00 N ATOM 363 CA ARG A 24 -6.723 -2.107 -7.416 1.00 0.00 C ATOM 364 C ARG A 24 -6.627 -0.628 -7.702 1.00 0.00 C ATOM 365 O ARG A 24 -7.329 -0.095 -8.562 1.00 0.00 O ATOM 366 CB ARG A 24 -7.792 -2.333 -6.356 1.00 0.00 C ATOM 367 CG ARG A 24 -8.267 -3.775 -6.258 1.00 0.00 C ATOM 368 CD ARG A 24 -8.778 -4.273 -7.593 1.00 0.00 C ATOM 369 NE ARG A 24 -9.928 -3.492 -8.052 1.00 0.00 N ATOM 370 CZ ARG A 24 -10.190 -3.223 -9.329 1.00 0.00 C ATOM 371 NH1 ARG A 24 -9.381 -3.658 -10.289 1.00 0.00 N ATOM 372 NH2 ARG A 24 -11.274 -2.523 -9.638 1.00 0.00 N ATOM 0 H ARG A 24 -5.443 -2.771 -5.920 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.982 -2.640 -8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.400 -2.023 -5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.647 -1.693 -6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.447 -4.409 -5.920 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.058 -3.851 -5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.980 -4.217 -8.333 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.060 -5.322 -7.507 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.570 -3.130 -7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.552 -4.202 -10.050 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.589 -3.448 -11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.898 -2.196 -8.900 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.484 -2.312 -10.614 1.00 0.00 H new ATOM 386 N LEU A 25 -5.718 0.013 -6.993 1.00 0.00 N ATOM 387 CA LEU A 25 -5.630 1.456 -6.985 1.00 0.00 C ATOM 388 C LEU A 25 -5.006 1.981 -8.269 1.00 0.00 C ATOM 389 O LEU A 25 -5.510 2.928 -8.871 1.00 0.00 O ATOM 390 CB LEU A 25 -4.809 1.888 -5.773 1.00 0.00 C ATOM 391 CG LEU A 25 -4.239 3.296 -5.823 1.00 0.00 C ATOM 392 CD1 LEU A 25 -5.041 4.249 -4.943 1.00 0.00 C ATOM 393 CD2 LEU A 25 -2.778 3.257 -5.428 1.00 0.00 C ATOM 0 H LEU A 25 -5.023 -0.452 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.634 1.875 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.435 1.802 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.983 1.187 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.314 3.679 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.609 5.248 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.074 4.281 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.014 3.900 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.365 4.265 -5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.685 2.861 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.231 2.617 -6.120 1.00 0.00 H new ATOM 405 N ASN A 26 -3.931 1.329 -8.697 1.00 0.00 N ATOM 406 CA ASN A 26 -3.122 1.815 -9.808 1.00 0.00 C ATOM 407 C ASN A 26 -1.848 0.987 -9.936 1.00 0.00 C ATOM 408 O ASN A 26 -1.177 1.041 -10.963 1.00 0.00 O ATOM 409 CB ASN A 26 -2.758 3.300 -9.593 1.00 0.00 C ATOM 410 CG ASN A 26 -1.989 3.920 -10.749 1.00 0.00 C ATOM 411 OD1 ASN A 26 -2.170 3.552 -11.909 1.00 0.00 O ATOM 412 ND2 ASN A 26 -1.138 4.888 -10.439 1.00 0.00 N ATOM 0 H ASN A 26 -3.598 0.456 -8.288 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.702 1.719 -10.726 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.674 3.869 -9.432 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.163 3.390 -8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.607 5.355 -11.174 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.015 5.166 -9.465 1.00 0.00 H new ATOM 419 N VAL A 27 -1.557 0.193 -8.902 1.00 0.00 N ATOM 420 CA VAL A 27 -0.327 -0.611 -8.814 1.00 0.00 C ATOM 421 C VAL A 27 0.878 0.059 -9.509 1.00 0.00 C ATOM 422 O VAL A 27 1.440 -0.443 -10.482 1.00 0.00 O ATOM 423 CB VAL A 27 -0.561 -2.069 -9.322 1.00 0.00 C ATOM 424 CG1 VAL A 27 -1.005 -2.108 -10.780 1.00 0.00 C ATOM 425 CG2 VAL A 27 0.674 -2.936 -9.112 1.00 0.00 C ATOM 0 H VAL A 27 -2.171 0.087 -8.094 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.068 -0.670 -7.757 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.374 -2.481 -8.723 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.155 -3.143 -11.087 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.939 -1.558 -10.891 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.239 -1.651 -11.406 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.477 -3.944 -9.476 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.515 -2.510 -9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.915 -2.975 -8.050 1.00 0.00 H new ATOM 435 N PRO A 28 1.256 1.239 -8.998 1.00 0.00 N ATOM 436 CA PRO A 28 2.387 2.034 -9.488 1.00 0.00 C ATOM 437 C PRO A 28 3.606 1.948 -8.574 1.00 0.00 C ATOM 438 O PRO A 28 4.314 2.936 -8.376 1.00 0.00 O ATOM 439 CB PRO A 28 1.794 3.422 -9.360 1.00 0.00 C ATOM 440 CG PRO A 28 1.104 3.356 -8.031 1.00 0.00 C ATOM 441 CD PRO A 28 0.555 1.959 -7.921 1.00 0.00 C ATOM 0 HA PRO A 28 2.739 1.726 -10.473 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.562 4.195 -9.381 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.097 3.642 -10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.799 3.568 -7.219 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.306 4.096 -7.968 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.759 1.521 -6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.526 1.939 -8.060 1.00 0.00 H new ATOM 449 N HIS A 29 3.856 0.780 -8.023 1.00 0.00 N ATOM 450 CA HIS A 29 4.699 0.689 -6.839 1.00 0.00 C ATOM 451 C HIS A 29 5.729 -0.437 -6.900 1.00 0.00 C ATOM 452 O HIS A 29 5.772 -1.209 -7.854 1.00 0.00 O ATOM 453 CB HIS A 29 3.809 0.503 -5.616 1.00 0.00 C ATOM 454 CG HIS A 29 2.765 -0.570 -5.756 1.00 0.00 C ATOM 455 ND1 HIS A 29 1.420 -0.341 -5.554 1.00 0.00 N ATOM 456 CD2 HIS A 29 2.880 -1.891 -6.035 1.00 0.00 C ATOM 457 CE1 HIS A 29 0.757 -1.473 -5.701 1.00 0.00 C ATOM 458 NE2 HIS A 29 1.619 -2.425 -5.994 1.00 0.00 N ATOM 0 H HIS A 29 3.496 -0.111 -8.366 1.00 0.00 H new ATOM 0 HA HIS A 29 5.268 1.617 -6.780 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.439 0.269 -4.758 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.312 1.448 -5.398 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.795 -2.423 -6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.311 -1.597 -5.598 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.385 -3.403 -6.163 1.00 0.00 H new ATOM 467 N ARG A 30 6.539 -0.520 -5.843 1.00 0.00 N ATOM 468 CA ARG A 30 7.589 -1.531 -5.731 1.00 0.00 C ATOM 469 C ARG A 30 7.221 -2.605 -4.713 1.00 0.00 C ATOM 470 O ARG A 30 6.852 -2.300 -3.585 1.00 0.00 O ATOM 471 CB ARG A 30 8.910 -0.881 -5.311 1.00 0.00 C ATOM 472 CG ARG A 30 9.930 -1.887 -4.803 1.00 0.00 C ATOM 473 CD ARG A 30 11.113 -1.218 -4.129 1.00 0.00 C ATOM 474 NE ARG A 30 11.934 -2.193 -3.410 1.00 0.00 N ATOM 475 CZ ARG A 30 13.126 -1.941 -2.874 1.00 0.00 C ATOM 476 NH1 ARG A 30 13.688 -0.745 -2.997 1.00 0.00 N ATOM 477 NH2 ARG A 30 13.763 -2.902 -2.214 1.00 0.00 N ATOM 0 H ARG A 30 6.485 0.111 -5.043 1.00 0.00 H new ATOM 0 HA ARG A 30 7.698 -1.997 -6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.330 -0.343 -6.161 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.715 -0.144 -4.532 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.449 -2.565 -4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.285 -2.494 -5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.720 -0.708 -4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.757 -0.457 -3.435 1.00 0.00 H new ATOM 0 HE ARG A 30 11.564 -3.139 -3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.206 -0.005 -3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.602 -0.566 -2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.338 -3.825 -2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.677 -2.717 -1.800 1.00 0.00 H new ATOM 491 N VAL A 31 7.351 -3.856 -5.119 1.00 0.00 N ATOM 492 CA VAL A 31 7.104 -4.991 -4.244 1.00 0.00 C ATOM 493 C VAL A 31 8.394 -5.750 -3.972 1.00 0.00 C ATOM 494 O VAL A 31 9.109 -6.143 -4.894 1.00 0.00 O ATOM 495 CB VAL A 31 6.081 -5.966 -4.851 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.885 -7.177 -3.942 1.00 0.00 C ATOM 497 CG2 VAL A 31 4.763 -5.256 -5.115 1.00 0.00 C ATOM 0 H VAL A 31 7.631 -4.115 -6.065 1.00 0.00 H new ATOM 0 HA VAL A 31 6.703 -4.590 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 31 6.467 -6.326 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.158 -7.854 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.835 -7.696 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.522 -6.846 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.050 -5.960 -5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.367 -4.864 -4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.926 -4.434 -5.812 1.00 0.00 H new ATOM 507 N SER A 32 8.678 -5.946 -2.703 1.00 0.00 N ATOM 508 CA SER A 32 9.839 -6.707 -2.276 1.00 0.00 C ATOM 509 C SER A 32 9.424 -7.667 -1.169 1.00 0.00 C ATOM 510 O SER A 32 8.237 -7.842 -0.912 1.00 0.00 O ATOM 511 CB SER A 32 10.926 -5.757 -1.769 1.00 0.00 C ATOM 512 OG SER A 32 11.232 -4.758 -2.730 1.00 0.00 O ATOM 0 H SER A 32 8.112 -5.584 -1.935 1.00 0.00 H new ATOM 0 HA SER A 32 10.237 -7.274 -3.118 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.596 -5.285 -0.844 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.826 -6.325 -1.533 1.00 0.00 H new ATOM 0 HG SER A 32 12.051 -5.004 -3.208 1.00 0.00 H new ATOM 518 N GLU A 33 10.393 -8.301 -0.535 1.00 0.00 N ATOM 519 CA GLU A 33 10.140 -9.099 0.652 1.00 0.00 C ATOM 520 C GLU A 33 11.071 -8.631 1.754 1.00 0.00 C ATOM 521 O GLU A 33 12.242 -9.008 1.810 1.00 0.00 O ATOM 522 CB GLU A 33 10.338 -10.583 0.350 1.00 0.00 C ATOM 523 CG GLU A 33 9.328 -11.130 -0.645 1.00 0.00 C ATOM 524 CD GLU A 33 9.639 -12.546 -1.067 1.00 0.00 C ATOM 525 OE1 GLU A 33 9.497 -13.463 -0.236 1.00 0.00 O ATOM 526 OE2 GLU A 33 10.034 -12.750 -2.238 1.00 0.00 O ATOM 0 H GLU A 33 11.371 -8.279 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 33 9.107 -8.971 0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.344 -10.737 -0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.267 -11.149 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.332 -11.097 -0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.307 -10.488 -1.526 1.00 0.00 H new ATOM 533 N GLU A 34 10.548 -7.778 2.610 1.00 0.00 N ATOM 534 CA GLU A 34 11.339 -7.122 3.607 1.00 0.00 C ATOM 535 C GLU A 34 10.847 -7.480 5.011 1.00 0.00 C ATOM 536 O GLU A 34 9.639 -7.524 5.258 1.00 0.00 O ATOM 537 CB GLU A 34 11.242 -5.630 3.316 1.00 0.00 C ATOM 538 CG GLU A 34 11.654 -4.726 4.437 1.00 0.00 C ATOM 539 CD GLU A 34 13.139 -4.791 4.743 1.00 0.00 C ATOM 540 OE1 GLU A 34 13.655 -5.897 5.027 1.00 0.00 O ATOM 541 OE2 GLU A 34 13.805 -3.739 4.689 1.00 0.00 O ATOM 0 H GLU A 34 9.560 -7.526 2.627 1.00 0.00 H new ATOM 0 HA GLU A 34 12.381 -7.441 3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.860 -5.406 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.213 -5.397 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.386 -3.700 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.093 -4.991 5.333 1.00 0.00 H new ATOM 548 N SER A 35 11.800 -7.767 5.906 1.00 0.00 N ATOM 549 CA SER A 35 11.520 -8.183 7.287 1.00 0.00 C ATOM 550 C SER A 35 10.914 -9.590 7.339 1.00 0.00 C ATOM 551 O SER A 35 11.427 -10.481 8.018 1.00 0.00 O ATOM 552 CB SER A 35 10.602 -7.175 7.991 1.00 0.00 C ATOM 553 OG SER A 35 11.197 -5.888 8.032 1.00 0.00 O ATOM 0 H SER A 35 12.796 -7.717 5.691 1.00 0.00 H new ATOM 0 HA SER A 35 12.472 -8.209 7.817 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.647 -7.121 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.392 -7.515 9.005 1.00 0.00 H new ATOM 0 HG SER A 35 10.593 -5.262 8.484 1.00 0.00 H new ATOM 559 N GLY A 36 9.837 -9.779 6.600 1.00 0.00 N ATOM 560 CA GLY A 36 9.164 -11.056 6.544 1.00 0.00 C ATOM 561 C GLY A 36 7.724 -10.922 6.129 1.00 0.00 C ATOM 562 O GLY A 36 6.885 -11.727 6.511 1.00 0.00 O ATOM 0 H GLY A 36 9.408 -9.053 6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.683 -11.708 5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.215 -11.535 7.522 1.00 0.00 H new ATOM 566 N GLN A 37 7.434 -9.860 5.396 1.00 0.00 N ATOM 567 CA GLN A 37 6.227 -9.748 4.634 1.00 0.00 C ATOM 568 C GLN A 37 6.649 -9.205 3.296 1.00 0.00 C ATOM 569 O GLN A 37 7.774 -8.724 3.160 1.00 0.00 O ATOM 570 CB GLN A 37 5.189 -8.818 5.301 1.00 0.00 C ATOM 571 CG GLN A 37 5.379 -8.603 6.800 1.00 0.00 C ATOM 572 CD GLN A 37 4.216 -7.884 7.445 1.00 0.00 C ATOM 573 OE1 GLN A 37 4.387 -7.130 8.402 1.00 0.00 O ATOM 574 NE2 GLN A 37 3.025 -8.130 6.942 1.00 0.00 N ATOM 0 H GLN A 37 8.046 -9.047 5.320 1.00 0.00 H new ATOM 0 HA GLN A 37 5.733 -10.716 4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.221 -7.848 4.804 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.194 -9.230 5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.516 -9.569 7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.291 -8.030 6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.928 -8.762 6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.199 -7.689 7.347 1.00 0.00 H new ATOM 583 N GLN A 38 5.808 -9.311 2.301 1.00 0.00 N ATOM 584 CA GLN A 38 6.069 -8.614 1.075 1.00 0.00 C ATOM 585 C GLN A 38 5.916 -7.161 1.371 1.00 0.00 C ATOM 586 O GLN A 38 5.016 -6.773 2.094 1.00 0.00 O ATOM 587 CB GLN A 38 5.091 -9.024 -0.001 1.00 0.00 C ATOM 588 CG GLN A 38 5.071 -10.498 -0.311 1.00 0.00 C ATOM 589 CD GLN A 38 3.783 -10.863 -1.007 1.00 0.00 C ATOM 590 OE1 GLN A 38 3.746 -11.737 -1.872 1.00 0.00 O ATOM 591 NE2 GLN A 38 2.699 -10.231 -0.566 1.00 0.00 N ATOM 0 H GLN A 38 4.951 -9.864 2.316 1.00 0.00 H new ATOM 0 HA GLN A 38 7.069 -8.847 0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.090 -8.718 0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.328 -8.479 -0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.921 -10.756 -0.943 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.172 -11.073 0.610 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.785 -9.513 0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.782 -10.464 -0.947 1.00 0.00 H new ATOM 600 N VAL A 39 6.811 -6.369 0.872 1.00 0.00 N ATOM 601 CA VAL A 39 6.880 -5.007 1.288 1.00 0.00 C ATOM 602 C VAL A 39 6.862 -4.073 0.111 1.00 0.00 C ATOM 603 O VAL A 39 7.560 -4.262 -0.876 1.00 0.00 O ATOM 604 CB VAL A 39 8.098 -4.831 2.194 1.00 0.00 C ATOM 605 CG1 VAL A 39 8.270 -3.416 2.658 1.00 0.00 C ATOM 606 CG2 VAL A 39 7.874 -5.734 3.357 1.00 0.00 C ATOM 0 H VAL A 39 7.504 -6.643 0.176 1.00 0.00 H new ATOM 0 HA VAL A 39 5.995 -4.744 1.867 1.00 0.00 H new ATOM 0 HB VAL A 39 9.010 -5.075 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.150 -3.347 3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.398 -2.763 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.388 -3.107 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.715 -5.655 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.956 -5.446 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.787 -6.763 3.007 1.00 0.00 H new ATOM 616 N LEU A 40 6.030 -3.081 0.251 1.00 0.00 N ATOM 617 CA LEU A 40 5.641 -2.216 -0.815 1.00 0.00 C ATOM 618 C LEU A 40 6.177 -0.819 -0.568 1.00 0.00 C ATOM 619 O LEU A 40 5.955 -0.218 0.484 1.00 0.00 O ATOM 620 CB LEU A 40 4.124 -2.244 -0.871 1.00 0.00 C ATOM 621 CG LEU A 40 3.448 -1.214 -1.764 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.271 -0.980 -2.984 1.00 0.00 C ATOM 623 CD2 LEU A 40 2.059 -1.667 -2.157 1.00 0.00 C ATOM 0 H LEU A 40 5.592 -2.848 1.142 1.00 0.00 H new ATOM 0 HA LEU A 40 6.050 -2.541 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.815 -3.235 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.745 -2.115 0.143 1.00 0.00 H new ATOM 0 HG LEU A 40 3.359 -0.282 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.780 -0.242 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.255 -0.612 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.380 -1.915 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.597 -0.913 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.124 -2.611 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.454 -1.804 -1.261 1.00 0.00 H new ATOM 635 N TRP A 41 6.902 -0.320 -1.541 1.00 0.00 N ATOM 636 CA TRP A 41 7.567 0.946 -1.404 1.00 0.00 C ATOM 637 C TRP A 41 7.126 1.854 -2.539 1.00 0.00 C ATOM 638 O TRP A 41 7.494 1.608 -3.686 1.00 0.00 O ATOM 639 CB TRP A 41 9.107 0.784 -1.506 1.00 0.00 C ATOM 640 CG TRP A 41 9.680 -0.394 -0.774 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.128 -1.624 -0.693 1.00 0.00 C ATOM 642 CD2 TRP A 41 10.927 -0.476 -0.073 1.00 0.00 C ATOM 643 NE1 TRP A 41 9.898 -2.458 0.054 1.00 0.00 N ATOM 644 CE2 TRP A 41 11.020 -1.783 0.444 1.00 0.00 C ATOM 645 CE3 TRP A 41 11.962 0.423 0.188 1.00 0.00 C ATOM 646 CZ2 TRP A 41 12.100 -2.211 1.199 1.00 0.00 C ATOM 647 CZ3 TRP A 41 13.041 -0.006 0.939 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.101 -1.312 1.439 1.00 0.00 C ATOM 0 H TRP A 41 7.045 -0.778 -2.441 1.00 0.00 H new ATOM 0 HA TRP A 41 7.311 1.362 -0.430 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.378 0.703 -2.559 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.577 1.691 -1.125 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.197 -1.908 -1.161 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.675 -3.426 0.285 1.00 0.00 H new ATOM 0 HE3 TRP A 41 11.921 1.434 -0.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.149 -3.219 1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 13.851 0.678 1.143 1.00 0.00 H new ATOM 0 HH2 TRP A 41 13.955 -1.615 2.026 1.00 0.00 H new ATOM 659 N VAL A 42 6.298 2.851 -2.273 1.00 0.00 N ATOM 660 CA VAL A 42 6.095 3.875 -3.299 1.00 0.00 C ATOM 661 C VAL A 42 5.767 5.316 -2.806 1.00 0.00 C ATOM 662 O VAL A 42 5.200 6.103 -3.564 1.00 0.00 O ATOM 663 CB VAL A 42 5.042 3.399 -4.326 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.625 3.497 -3.780 1.00 0.00 C ATOM 665 CG2 VAL A 42 5.179 4.148 -5.643 1.00 0.00 C ATOM 0 H VAL A 42 5.777 2.977 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 42 7.077 3.983 -3.760 1.00 0.00 H new ATOM 0 HB VAL A 42 5.237 2.344 -4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.919 3.152 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.535 2.876 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.405 4.533 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.425 3.791 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.039 5.215 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.172 3.975 -6.058 1.00 0.00 H new ATOM 675 N PRO A 43 6.115 5.741 -1.573 1.00 0.00 N ATOM 676 CA PRO A 43 6.018 7.143 -1.203 1.00 0.00 C ATOM 677 C PRO A 43 7.380 7.833 -1.091 1.00 0.00 C ATOM 678 O PRO A 43 8.292 7.574 -1.878 1.00 0.00 O ATOM 679 CB PRO A 43 5.417 6.984 0.160 1.00 0.00 C ATOM 680 CG PRO A 43 6.242 5.907 0.748 1.00 0.00 C ATOM 681 CD PRO A 43 6.501 4.958 -0.388 1.00 0.00 C ATOM 0 HA PRO A 43 5.471 7.754 -1.921 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.477 7.905 0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.364 6.707 0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.174 6.300 1.155 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.720 5.411 1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.547 4.654 -0.429 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.908 4.048 -0.296 1.00 0.00 H new ATOM 689 N ASP A 44 7.498 8.698 -0.083 1.00 0.00 N ATOM 690 CA ASP A 44 8.744 9.387 0.223 1.00 0.00 C ATOM 691 C ASP A 44 8.994 9.359 1.726 1.00 0.00 C ATOM 692 O ASP A 44 9.729 8.514 2.224 1.00 0.00 O ATOM 693 CB ASP A 44 8.705 10.832 -0.278 1.00 0.00 C ATOM 694 CG ASP A 44 9.128 10.967 -1.727 1.00 0.00 C ATOM 695 OD1 ASP A 44 8.359 10.567 -2.626 1.00 0.00 O ATOM 696 OD2 ASP A 44 10.229 11.494 -1.975 1.00 0.00 O ATOM 0 H ASP A 44 6.729 8.938 0.543 1.00 0.00 H new ATOM 0 HA ASP A 44 9.559 8.872 -0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.695 11.224 -0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.358 11.444 0.344 1.00 0.00 H new ATOM 701 N GLU A 45 8.365 10.284 2.442 1.00 0.00 N ATOM 702 CA GLU A 45 8.410 10.299 3.902 1.00 0.00 C ATOM 703 C GLU A 45 7.093 10.820 4.462 1.00 0.00 C ATOM 704 O GLU A 45 6.325 10.060 5.046 1.00 0.00 O ATOM 705 CB GLU A 45 9.574 11.142 4.418 1.00 0.00 C ATOM 706 CG GLU A 45 10.912 10.468 4.285 1.00 0.00 C ATOM 707 CD GLU A 45 12.063 11.375 4.637 1.00 0.00 C ATOM 708 OE1 GLU A 45 11.974 12.103 5.643 1.00 0.00 O ATOM 709 OE2 GLU A 45 13.069 11.369 3.904 1.00 0.00 O ATOM 0 H GLU A 45 7.814 11.039 2.033 1.00 0.00 H new ATOM 0 HA GLU A 45 8.564 9.275 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.597 12.086 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.400 11.382 5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.937 9.590 4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.035 10.114 3.261 1.00 0.00 H new ATOM 716 N ARG A 46 6.817 12.110 4.265 1.00 0.00 N ATOM 717 CA ARG A 46 5.526 12.665 4.674 1.00 0.00 C ATOM 718 C ARG A 46 4.420 12.013 3.857 1.00 0.00 C ATOM 719 O ARG A 46 3.295 11.830 4.319 1.00 0.00 O ATOM 720 CB ARG A 46 5.457 14.194 4.506 1.00 0.00 C ATOM 721 CG ARG A 46 5.250 14.666 3.069 1.00 0.00 C ATOM 722 CD ARG A 46 6.564 14.927 2.366 1.00 0.00 C ATOM 723 NE ARG A 46 7.169 16.183 2.805 1.00 0.00 N ATOM 724 CZ ARG A 46 8.122 16.832 2.140 1.00 0.00 C ATOM 725 NH1 ARG A 46 8.575 16.368 0.980 1.00 0.00 N ATOM 726 NH2 ARG A 46 8.603 17.964 2.634 1.00 0.00 N ATOM 0 H ARG A 46 7.455 12.778 3.834 1.00 0.00 H new ATOM 0 HA ARG A 46 5.399 12.452 5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.643 14.578 5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.379 14.631 4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.686 13.914 2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.651 15.577 3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.251 14.104 2.561 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.401 14.958 1.289 1.00 0.00 H new ATOM 0 HE ARG A 46 6.839 16.590 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.192 15.506 0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.306 16.873 0.479 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.243 18.330 3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.333 18.470 2.133 1.00 0.00 H new ATOM 740 N LEU A 47 4.784 11.642 2.637 1.00 0.00 N ATOM 741 CA LEU A 47 3.861 11.040 1.697 1.00 0.00 C ATOM 742 C LEU A 47 3.604 9.584 2.081 1.00 0.00 C ATOM 743 O LEU A 47 2.512 9.075 1.890 1.00 0.00 O ATOM 744 CB LEU A 47 4.446 11.149 0.280 1.00 0.00 C ATOM 745 CG LEU A 47 3.459 10.957 -0.877 1.00 0.00 C ATOM 746 CD1 LEU A 47 4.056 11.496 -2.165 1.00 0.00 C ATOM 747 CD2 LEU A 47 3.106 9.492 -1.049 1.00 0.00 C ATOM 0 H LEU A 47 5.731 11.752 2.275 1.00 0.00 H new ATOM 0 HA LEU A 47 2.906 11.565 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.910 12.130 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.240 10.409 0.179 1.00 0.00 H new ATOM 0 HG LEU A 47 2.548 11.507 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.348 11.355 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.270 12.558 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.979 10.962 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.404 9.381 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.011 8.922 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.649 9.118 -0.133 1.00 0.00 H new ATOM 759 N ALA A 48 4.625 8.937 2.641 1.00 0.00 N ATOM 760 CA ALA A 48 4.557 7.536 3.070 1.00 0.00 C ATOM 761 C ALA A 48 3.270 7.209 3.820 1.00 0.00 C ATOM 762 O ALA A 48 2.671 6.150 3.611 1.00 0.00 O ATOM 763 CB ALA A 48 5.769 7.232 3.931 1.00 0.00 C ATOM 0 H ALA A 48 5.532 9.372 2.812 1.00 0.00 H new ATOM 0 HA ALA A 48 4.556 6.908 2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.732 6.193 4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.677 7.398 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.769 7.886 4.803 1.00 0.00 H new ATOM 769 N GLU A 49 2.825 8.133 4.646 1.00 0.00 N ATOM 770 CA GLU A 49 1.641 7.913 5.455 1.00 0.00 C ATOM 771 C GLU A 49 0.413 8.032 4.574 1.00 0.00 C ATOM 772 O GLU A 49 -0.476 7.195 4.598 1.00 0.00 O ATOM 773 CB GLU A 49 1.584 8.924 6.597 1.00 0.00 C ATOM 774 CG GLU A 49 2.873 8.998 7.393 1.00 0.00 C ATOM 775 CD GLU A 49 2.765 9.889 8.609 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.648 11.122 8.442 1.00 0.00 O ATOM 777 OE2 GLU A 49 2.810 9.358 9.741 1.00 0.00 O ATOM 0 H GLU A 49 3.264 9.044 4.776 1.00 0.00 H new ATOM 0 HA GLU A 49 1.676 6.915 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.358 9.910 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.765 8.660 7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.157 7.994 7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.671 9.367 6.749 1.00 0.00 H new ATOM 784 N GLN A 50 0.414 9.054 3.747 1.00 0.00 N ATOM 785 CA GLN A 50 -0.643 9.281 2.790 1.00 0.00 C ATOM 786 C GLN A 50 -0.755 8.100 1.824 1.00 0.00 C ATOM 787 O GLN A 50 -1.848 7.748 1.382 1.00 0.00 O ATOM 788 CB GLN A 50 -0.345 10.601 2.055 1.00 0.00 C ATOM 789 CG GLN A 50 -0.504 10.566 0.542 1.00 0.00 C ATOM 790 CD GLN A 50 -1.932 10.786 0.078 1.00 0.00 C ATOM 791 OE1 GLN A 50 -2.164 11.367 -0.981 1.00 0.00 O ATOM 792 NE2 GLN A 50 -2.896 10.300 0.841 1.00 0.00 N ATOM 0 H GLN A 50 1.154 9.755 3.721 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.606 9.362 3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.003 11.373 2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.677 10.902 2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.135 11.330 0.100 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.154 9.603 0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.665 9.824 1.713 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.871 10.401 0.558 1.00 0.00 H new ATOM 801 N VAL A 51 0.362 7.427 1.578 1.00 0.00 N ATOM 802 CA VAL A 51 0.424 6.492 0.479 1.00 0.00 C ATOM 803 C VAL A 51 -0.210 5.179 0.893 1.00 0.00 C ATOM 804 O VAL A 51 -1.203 4.777 0.338 1.00 0.00 O ATOM 805 CB VAL A 51 1.877 6.305 -0.086 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.588 5.061 0.422 1.00 0.00 C ATOM 807 CG2 VAL A 51 1.851 6.304 -1.604 1.00 0.00 C ATOM 0 H VAL A 51 1.222 7.514 2.120 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.147 6.908 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 51 2.452 7.153 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.585 5.007 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.671 5.107 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.019 4.176 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.864 6.174 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.223 5.486 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.448 7.251 -1.962 1.00 0.00 H new ATOM 817 N ARG A 52 0.306 4.544 1.909 1.00 0.00 N ATOM 818 CA ARG A 52 -0.211 3.251 2.286 1.00 0.00 C ATOM 819 C ARG A 52 -1.429 3.391 3.173 1.00 0.00 C ATOM 820 O ARG A 52 -2.376 2.618 3.059 1.00 0.00 O ATOM 821 CB ARG A 52 0.891 2.418 2.929 1.00 0.00 C ATOM 822 CG ARG A 52 1.626 3.118 4.060 1.00 0.00 C ATOM 823 CD ARG A 52 1.549 2.333 5.345 1.00 0.00 C ATOM 824 NE ARG A 52 2.210 3.023 6.455 1.00 0.00 N ATOM 825 CZ ARG A 52 2.179 2.598 7.721 1.00 0.00 C ATOM 826 NH1 ARG A 52 1.474 1.523 8.048 1.00 0.00 N ATOM 827 NH2 ARG A 52 2.842 3.260 8.659 1.00 0.00 N ATOM 0 H ARG A 52 1.073 4.891 2.485 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.542 2.722 1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.456 1.494 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.612 2.137 2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.670 3.260 3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.199 4.109 4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.504 2.157 5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.010 1.356 5.200 1.00 0.00 H new ATOM 0 HE ARG A 52 2.725 3.879 6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.953 1.018 7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.453 1.202 9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.376 4.094 8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.818 2.935 9.626 1.00 0.00 H new ATOM 841 N GLU A 53 -1.444 4.425 3.997 1.00 0.00 N ATOM 842 CA GLU A 53 -2.487 4.569 4.991 1.00 0.00 C ATOM 843 C GLU A 53 -3.736 5.163 4.413 1.00 0.00 C ATOM 844 O GLU A 53 -4.807 4.917 4.922 1.00 0.00 O ATOM 845 CB GLU A 53 -2.019 5.430 6.149 1.00 0.00 C ATOM 846 CG GLU A 53 -0.815 4.857 6.845 1.00 0.00 C ATOM 847 CD GLU A 53 -1.159 3.585 7.581 1.00 0.00 C ATOM 848 OE1 GLU A 53 -1.141 2.506 6.956 1.00 0.00 O ATOM 849 OE2 GLU A 53 -1.485 3.667 8.784 1.00 0.00 O ATOM 0 H GLU A 53 -0.749 5.172 3.996 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.714 3.565 5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.781 6.428 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.832 5.540 6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.032 4.656 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.416 5.589 7.547 1.00 0.00 H new ATOM 856 N LEU A 54 -3.627 5.954 3.369 1.00 0.00 N ATOM 857 CA LEU A 54 -4.827 6.514 2.791 1.00 0.00 C ATOM 858 C LEU A 54 -5.212 5.769 1.551 1.00 0.00 C ATOM 859 O LEU A 54 -6.373 5.718 1.206 1.00 0.00 O ATOM 860 CB LEU A 54 -4.714 8.006 2.517 1.00 0.00 C ATOM 861 CG LEU A 54 -4.755 8.859 3.778 1.00 0.00 C ATOM 862 CD1 LEU A 54 -3.425 8.766 4.500 1.00 0.00 C ATOM 863 CD2 LEU A 54 -5.104 10.302 3.447 1.00 0.00 C ATOM 0 H LEU A 54 -2.752 6.217 2.916 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.617 6.397 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.782 8.201 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.526 8.309 1.856 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.536 8.480 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.457 9.377 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.230 7.729 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.630 9.125 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.127 10.890 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.353 10.712 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.082 10.339 2.968 1.00 0.00 H new ATOM 875 N TYR A 55 -4.267 5.146 0.893 1.00 0.00 N ATOM 876 CA TYR A 55 -4.633 4.354 -0.262 1.00 0.00 C ATOM 877 C TYR A 55 -5.501 3.207 0.195 1.00 0.00 C ATOM 878 O TYR A 55 -6.422 2.811 -0.503 1.00 0.00 O ATOM 879 CB TYR A 55 -3.433 3.825 -1.033 1.00 0.00 C ATOM 880 CG TYR A 55 -2.770 4.851 -1.935 1.00 0.00 C ATOM 881 CD1 TYR A 55 -3.269 6.141 -2.042 1.00 0.00 C ATOM 882 CD2 TYR A 55 -1.639 4.525 -2.672 1.00 0.00 C ATOM 883 CE1 TYR A 55 -2.667 7.076 -2.861 1.00 0.00 C ATOM 884 CE2 TYR A 55 -1.031 5.455 -3.495 1.00 0.00 C ATOM 885 CZ TYR A 55 -1.549 6.728 -3.585 1.00 0.00 C ATOM 886 OH TYR A 55 -0.953 7.657 -4.409 1.00 0.00 O ATOM 0 H TYR A 55 -3.273 5.166 1.122 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.174 5.004 -0.950 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.695 3.452 -0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.750 2.976 -1.639 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.145 6.419 -1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.228 3.529 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.071 8.075 -2.933 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.154 5.184 -4.065 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.175 7.254 -4.848 1.00 0.00 H new ATOM 896 N ARG A 56 -5.240 2.708 1.401 1.00 0.00 N ATOM 897 CA ARG A 56 -6.034 1.605 1.922 1.00 0.00 C ATOM 898 C ARG A 56 -7.446 2.007 2.360 1.00 0.00 C ATOM 899 O ARG A 56 -8.218 1.144 2.760 1.00 0.00 O ATOM 900 CB ARG A 56 -5.335 0.897 3.073 1.00 0.00 C ATOM 901 CG ARG A 56 -4.918 1.788 4.196 1.00 0.00 C ATOM 902 CD ARG A 56 -4.526 0.950 5.409 1.00 0.00 C ATOM 903 NE ARG A 56 -4.006 1.730 6.531 1.00 0.00 N ATOM 904 CZ ARG A 56 -4.379 1.529 7.798 1.00 0.00 C ATOM 905 NH1 ARG A 56 -5.287 0.603 8.087 1.00 0.00 N ATOM 906 NH2 ARG A 56 -3.820 2.224 8.779 1.00 0.00 N ATOM 0 H ARG A 56 -4.502 3.042 2.021 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.137 0.922 1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.000 0.128 3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.453 0.387 2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.078 2.409 3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.733 2.463 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.397 0.387 5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.773 0.222 5.106 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.325 2.464 6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.701 0.044 7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.570 0.451 9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.101 2.916 8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.109 2.066 9.744 1.00 0.00 H new ATOM 920 N ARG A 57 -7.812 3.289 2.290 1.00 0.00 N ATOM 921 CA ARG A 57 -9.101 3.696 2.852 1.00 0.00 C ATOM 922 C ARG A 57 -9.713 4.897 2.149 1.00 0.00 C ATOM 923 O ARG A 57 -10.925 4.952 1.955 1.00 0.00 O ATOM 924 CB ARG A 57 -8.944 3.979 4.347 1.00 0.00 C ATOM 925 CG ARG A 57 -7.513 4.281 4.749 1.00 0.00 C ATOM 926 CD ARG A 57 -7.374 4.551 6.230 1.00 0.00 C ATOM 927 NE ARG A 57 -7.668 3.362 7.028 1.00 0.00 N ATOM 928 CZ ARG A 57 -7.699 3.343 8.360 1.00 0.00 C ATOM 929 NH1 ARG A 57 -7.459 4.448 9.055 1.00 0.00 N ATOM 930 NH2 ARG A 57 -7.964 2.211 8.994 1.00 0.00 N ATOM 0 H ARG A 57 -7.260 4.036 1.868 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.791 2.867 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.577 4.823 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.300 3.118 4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.876 3.440 4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.156 5.146 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.361 4.891 6.444 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.048 5.358 6.517 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.862 2.491 6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.249 5.320 8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.485 4.425 10.074 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.143 1.359 8.463 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.989 2.191 10.014 1.00 0.00 H new ATOM 944 N TYR A 58 -8.892 5.853 1.765 1.00 0.00 N ATOM 945 CA TYR A 58 -9.397 7.050 1.127 1.00 0.00 C ATOM 946 C TYR A 58 -9.323 6.917 -0.404 1.00 0.00 C ATOM 947 O TYR A 58 -10.310 6.532 -0.982 1.00 0.00 O ATOM 948 CB TYR A 58 -8.724 8.311 1.684 1.00 0.00 C ATOM 949 CG TYR A 58 -9.195 8.680 3.067 1.00 0.00 C ATOM 950 CD1 TYR A 58 -9.022 7.804 4.120 1.00 0.00 C ATOM 951 CD2 TYR A 58 -9.806 9.900 3.318 1.00 0.00 C ATOM 952 CE1 TYR A 58 -9.447 8.122 5.393 1.00 0.00 C ATOM 953 CE2 TYR A 58 -10.238 10.231 4.587 1.00 0.00 C ATOM 954 CZ TYR A 58 -10.052 9.337 5.622 1.00 0.00 C ATOM 955 OH TYR A 58 -10.483 9.656 6.890 1.00 0.00 O ATOM 0 H TYR A 58 -7.879 5.825 1.883 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.454 7.166 1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.645 8.159 1.704 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.916 9.145 1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.545 6.851 3.944 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.946 10.601 2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.306 7.423 6.204 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.717 11.182 4.768 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.887 10.549 6.883 1.00 0.00 H new ATOM 965 N PRO A 59 -8.179 7.199 -1.092 1.00 0.00 N ATOM 966 CA PRO A 59 -8.031 6.972 -2.548 1.00 0.00 C ATOM 967 C PRO A 59 -8.671 5.690 -3.115 1.00 0.00 C ATOM 968 O PRO A 59 -9.271 5.734 -4.190 1.00 0.00 O ATOM 969 CB PRO A 59 -6.517 6.915 -2.697 1.00 0.00 C ATOM 970 CG PRO A 59 -6.039 7.936 -1.736 1.00 0.00 C ATOM 971 CD PRO A 59 -6.961 7.851 -0.560 1.00 0.00 C ATOM 0 HA PRO A 59 -8.551 7.749 -3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.127 5.925 -2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.205 7.144 -3.716 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.008 7.742 -1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.061 8.931 -2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.520 7.269 0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.183 8.839 -0.157 1.00 0.00 H new ATOM 979 N GLU A 60 -8.546 4.557 -2.432 1.00 0.00 N ATOM 980 CA GLU A 60 -9.104 3.308 -2.961 1.00 0.00 C ATOM 981 C GLU A 60 -10.490 3.086 -2.380 1.00 0.00 C ATOM 982 O GLU A 60 -11.317 2.364 -2.939 1.00 0.00 O ATOM 983 CB GLU A 60 -8.178 2.121 -2.674 1.00 0.00 C ATOM 984 CG GLU A 60 -8.630 0.815 -3.298 1.00 0.00 C ATOM 985 CD GLU A 60 -8.953 0.941 -4.777 1.00 0.00 C ATOM 986 OE1 GLU A 60 -8.335 1.785 -5.464 1.00 0.00 O ATOM 987 OE2 GLU A 60 -9.832 0.200 -5.255 1.00 0.00 O ATOM 0 H GLU A 60 -8.075 4.472 -1.531 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.188 3.388 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.178 2.358 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.101 1.988 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.849 0.066 -3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.512 0.453 -2.769 1.00 0.00 H new ATOM 994 N GLY A 61 -10.744 3.742 -1.259 1.00 0.00 N ATOM 995 CA GLY A 61 -12.083 3.795 -0.723 1.00 0.00 C ATOM 996 C GLY A 61 -12.861 4.895 -1.400 1.00 0.00 C ATOM 997 O GLY A 61 -13.990 5.224 -1.038 1.00 0.00 O ATOM 0 H GLY A 61 -10.043 4.240 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.583 2.838 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.047 3.971 0.352 1.00 0.00 H new ATOM 1001 N ASP A 62 -12.234 5.418 -2.425 1.00 0.00 N ATOM 1002 CA ASP A 62 -12.702 6.617 -3.116 1.00 0.00 C ATOM 1003 C ASP A 62 -13.252 6.229 -4.461 1.00 0.00 C ATOM 1004 O ASP A 62 -12.495 5.777 -5.312 1.00 0.00 O ATOM 1005 CB ASP A 62 -11.559 7.623 -3.298 1.00 0.00 C ATOM 1006 CG ASP A 62 -12.009 8.946 -3.878 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -12.466 9.812 -3.106 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -11.876 9.143 -5.102 1.00 0.00 O ATOM 0 H ASP A 62 -11.376 5.028 -2.814 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.481 7.087 -2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.084 7.801 -2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.802 7.187 -3.950 1.00 0.00 H new ATOM 1013 N PRO A 63 -14.538 6.542 -4.701 1.00 0.00 N ATOM 1014 CA PRO A 63 -15.398 5.927 -5.698 1.00 0.00 C ATOM 1015 C PRO A 63 -14.685 4.897 -6.568 1.00 0.00 C ATOM 1016 O PRO A 63 -14.529 5.060 -7.781 1.00 0.00 O ATOM 1017 CB PRO A 63 -15.853 7.170 -6.451 1.00 0.00 C ATOM 1018 CG PRO A 63 -15.920 8.241 -5.381 1.00 0.00 C ATOM 1019 CD PRO A 63 -15.234 7.675 -4.142 1.00 0.00 C ATOM 0 HA PRO A 63 -16.211 5.324 -5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.151 7.438 -7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.823 7.017 -6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.423 9.152 -5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.955 8.504 -5.163 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.552 8.392 -3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.949 7.381 -3.374 1.00 0.00 H new ATOM 1027 N GLN A 64 -14.266 3.827 -5.906 1.00 0.00 N ATOM 1028 CA GLN A 64 -13.426 2.810 -6.504 1.00 0.00 C ATOM 1029 C GLN A 64 -13.818 1.452 -5.977 1.00 0.00 C ATOM 1030 O GLN A 64 -14.371 0.628 -6.709 1.00 0.00 O ATOM 1031 CB GLN A 64 -11.956 3.071 -6.174 1.00 0.00 C ATOM 1032 CG GLN A 64 -11.095 3.374 -7.385 1.00 0.00 C ATOM 1033 CD GLN A 64 -10.881 2.160 -8.261 1.00 0.00 C ATOM 1034 OE1 GLN A 64 -11.626 1.925 -9.216 1.00 0.00 O ATOM 1035 NE2 GLN A 64 -9.888 1.360 -7.917 1.00 0.00 N ATOM 0 H GLN A 64 -14.504 3.643 -4.931 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.560 2.840 -7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.894 3.908 -5.478 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.549 2.199 -5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.564 4.164 -7.972 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.129 3.754 -7.054 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.297 1.595 -7.119 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.712 0.508 -8.449 1.00 0.00 H new ATOM 1044 N ALA A 65 -13.565 1.228 -4.692 1.00 0.00 N ATOM 1045 CA ALA A 65 -13.814 -0.086 -4.128 1.00 0.00 C ATOM 1046 C ALA A 65 -14.002 -0.060 -2.621 1.00 0.00 C ATOM 1047 O ALA A 65 -15.116 -0.228 -2.121 1.00 0.00 O ATOM 1048 CB ALA A 65 -12.678 -1.029 -4.484 1.00 0.00 C ATOM 0 H ALA A 65 -13.198 1.921 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.749 -0.440 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.874 -2.012 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.601 -1.113 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.742 -0.639 -4.083 1.00 0.00 H new ATOM 1054 N THR A 66 -12.914 0.154 -1.908 1.00 0.00 N ATOM 1055 CA THR A 66 -12.886 -0.048 -0.472 1.00 0.00 C ATOM 1056 C THR A 66 -13.451 1.168 0.268 1.00 0.00 C ATOM 1057 O THR A 66 -14.173 1.970 -0.332 1.00 0.00 O ATOM 1058 CB THR A 66 -11.435 -0.364 -0.032 1.00 0.00 C ATOM 1059 OG1 THR A 66 -11.431 -1.102 1.197 1.00 0.00 O ATOM 1060 CG2 THR A 66 -10.571 0.873 0.112 1.00 0.00 C ATOM 0 H THR A 66 -12.029 0.471 -2.304 1.00 0.00 H new ATOM 0 HA THR A 66 -13.523 -0.894 -0.213 1.00 0.00 H new ATOM 0 HB THR A 66 -11.001 -0.967 -0.829 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.994 -1.968 1.057 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.568 0.582 0.422 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.518 1.393 -0.844 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.005 1.535 0.862 1.00 0.00 H new ATOM 1068 N LEU A 67 -13.156 1.265 1.568 1.00 0.00 N ATOM 1069 CA LEU A 67 -13.478 2.427 2.383 1.00 0.00 C ATOM 1070 C LEU A 67 -13.213 2.124 3.853 1.00 0.00 C ATOM 1071 O LEU A 67 -12.086 2.248 4.329 1.00 0.00 O ATOM 1072 CB LEU A 67 -14.924 2.888 2.202 1.00 0.00 C ATOM 1073 CG LEU A 67 -15.174 4.303 2.689 1.00 0.00 C ATOM 1074 CD1 LEU A 67 -14.179 5.228 2.019 1.00 0.00 C ATOM 1075 CD2 LEU A 67 -16.603 4.733 2.395 1.00 0.00 C ATOM 0 H LEU A 67 -12.680 0.526 2.085 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.834 3.240 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.188 2.824 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.584 2.206 2.738 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.041 4.347 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.346 6.250 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.166 4.921 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.308 5.180 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.758 5.751 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.780 4.696 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -17.296 4.061 2.900 1.00 0.00 H new ATOM 1087 N GLU A 68 -14.248 1.703 4.567 1.00 0.00 N ATOM 1088 CA GLU A 68 -14.090 1.295 5.954 1.00 0.00 C ATOM 1089 C GLU A 68 -14.131 -0.212 6.046 1.00 0.00 C ATOM 1090 O GLU A 68 -13.959 -0.803 7.110 1.00 0.00 O ATOM 1091 CB GLU A 68 -15.154 1.931 6.845 1.00 0.00 C ATOM 1092 CG GLU A 68 -14.990 3.434 6.989 1.00 0.00 C ATOM 1093 CD GLU A 68 -15.946 4.032 7.993 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -15.732 3.843 9.212 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -16.919 4.686 7.575 1.00 0.00 O ATOM 0 H GLU A 68 -15.201 1.636 4.210 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.122 1.644 6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -16.140 1.717 6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.115 1.471 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.967 3.656 7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.146 3.907 6.019 1.00 0.00 H new ATOM 1102 N ALA A 69 -14.332 -0.815 4.895 1.00 0.00 N ATOM 1103 CA ALA A 69 -14.268 -2.256 4.753 1.00 0.00 C ATOM 1104 C ALA A 69 -12.829 -2.681 4.547 1.00 0.00 C ATOM 1105 O ALA A 69 -12.541 -3.871 4.426 1.00 0.00 O ATOM 1106 CB ALA A 69 -15.096 -2.716 3.571 1.00 0.00 C ATOM 0 H ALA A 69 -14.545 -0.321 4.029 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.666 -2.710 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.034 -3.801 3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.135 -2.423 3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.716 -2.256 2.659 1.00 0.00 H new ATOM 1112 N ALA A 70 -11.949 -1.675 4.489 1.00 0.00 N ATOM 1113 CA ALA A 70 -10.521 -1.861 4.253 1.00 0.00 C ATOM 1114 C ALA A 70 -9.993 -3.080 4.984 1.00 0.00 C ATOM 1115 O ALA A 70 -9.923 -3.100 6.215 1.00 0.00 O ATOM 1116 CB ALA A 70 -9.763 -0.621 4.684 1.00 0.00 C ATOM 0 H ALA A 70 -12.217 -0.698 4.607 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.371 -2.024 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.697 -0.766 4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.114 0.237 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.932 -0.442 5.746 1.00 0.00 H new TER 1122 ALA A 70