USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 74:sc= 0.00281 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 20:sc= 0.127 USER MOD Single : A 25 SER OG : rot 151:sc= -0.963 USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= 0.0143 (180deg=-0.0479) USER MOD Single : A 33 GLN : amide:sc= -0.0135 K(o=-0.013,f=-1) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.55) USER MOD Single : A 47 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.058) USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= -0.0124 (180deg=-0.365) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 58 GLN : amide:sc= -0.0718 K(o=-0.072,f=-0.83) USER MOD Single : A 60 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.2!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 110:sc= 2.1 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.785 11.461 -9.206 1.00 0.00 N ATOM 2 CA GLY A 1 13.802 10.607 -8.564 1.00 0.00 C ATOM 3 C GLY A 1 14.173 9.139 -8.639 1.00 0.00 C ATOM 4 O GLY A 1 15.219 8.729 -8.136 1.00 0.00 O ATOM 0 H1 GLY A 1 14.486 12.454 -9.128 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.707 11.339 -8.741 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.867 11.202 -10.210 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.698 10.900 -7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.831 10.758 -9.035 1.00 0.00 H new ATOM 8 N SER A 2 13.312 8.345 -9.268 1.00 0.00 N ATOM 9 CA SER A 2 13.552 6.912 -9.402 1.00 0.00 C ATOM 10 C SER A 2 13.977 6.564 -10.825 1.00 0.00 C ATOM 11 O SER A 2 13.384 7.036 -11.795 1.00 0.00 O ATOM 12 CB SER A 2 12.294 6.126 -9.026 1.00 0.00 C ATOM 13 OG SER A 2 12.116 6.091 -7.621 1.00 0.00 O ATOM 0 H SER A 2 12.443 8.669 -9.692 1.00 0.00 H new ATOM 0 HA SER A 2 14.359 6.638 -8.723 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.422 6.583 -9.495 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.368 5.109 -9.412 1.00 0.00 H new ATOM 0 HG SER A 2 11.305 5.585 -7.407 1.00 0.00 H new ATOM 19 N SER A 3 15.009 5.733 -10.941 1.00 0.00 N ATOM 20 CA SER A 3 15.517 5.323 -12.245 1.00 0.00 C ATOM 21 C SER A 3 15.467 3.806 -12.394 1.00 0.00 C ATOM 22 O SER A 3 16.105 3.075 -11.637 1.00 0.00 O ATOM 23 CB SER A 3 16.952 5.819 -12.435 1.00 0.00 C ATOM 24 OG SER A 3 16.982 7.216 -12.671 1.00 0.00 O ATOM 0 H SER A 3 15.509 5.331 -10.148 1.00 0.00 H new ATOM 0 HA SER A 3 14.882 5.767 -13.012 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.542 5.584 -11.549 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.413 5.296 -13.273 1.00 0.00 H new ATOM 0 HG SER A 3 17.910 7.508 -12.787 1.00 0.00 H new ATOM 30 N GLY A 4 14.704 3.339 -13.378 1.00 0.00 N ATOM 31 CA GLY A 4 14.584 1.912 -13.610 1.00 0.00 C ATOM 32 C GLY A 4 14.492 1.120 -12.321 1.00 0.00 C ATOM 33 O GLY A 4 15.371 0.316 -12.014 1.00 0.00 O ATOM 0 H GLY A 4 14.167 3.924 -14.018 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.698 1.719 -14.215 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.444 1.567 -14.184 1.00 0.00 H new ATOM 37 N SER A 5 13.424 1.349 -11.563 1.00 0.00 N ATOM 38 CA SER A 5 13.223 0.655 -10.296 1.00 0.00 C ATOM 39 C SER A 5 12.427 -0.630 -10.502 1.00 0.00 C ATOM 40 O SER A 5 11.550 -0.699 -11.362 1.00 0.00 O ATOM 41 CB SER A 5 12.498 1.564 -9.302 1.00 0.00 C ATOM 42 OG SER A 5 11.239 1.972 -9.809 1.00 0.00 O ATOM 0 H SER A 5 12.685 2.009 -11.804 1.00 0.00 H new ATOM 0 HA SER A 5 14.202 0.395 -9.892 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.360 1.038 -8.357 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.111 2.441 -9.092 1.00 0.00 H new ATOM 0 HG SER A 5 10.795 2.551 -9.155 1.00 0.00 H new ATOM 48 N SER A 6 12.740 -1.646 -9.705 1.00 0.00 N ATOM 49 CA SER A 6 12.058 -2.932 -9.800 1.00 0.00 C ATOM 50 C SER A 6 11.701 -3.462 -8.415 1.00 0.00 C ATOM 51 O SER A 6 12.573 -3.881 -7.655 1.00 0.00 O ATOM 52 CB SER A 6 12.936 -3.946 -10.536 1.00 0.00 C ATOM 53 OG SER A 6 13.167 -3.544 -11.875 1.00 0.00 O ATOM 0 H SER A 6 13.462 -1.604 -8.986 1.00 0.00 H new ATOM 0 HA SER A 6 11.136 -2.785 -10.362 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.888 -4.053 -10.016 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.455 -4.924 -10.525 1.00 0.00 H new ATOM 0 HG SER A 6 13.732 -4.208 -12.323 1.00 0.00 H new ATOM 59 N GLY A 7 10.411 -3.439 -8.094 1.00 0.00 N ATOM 60 CA GLY A 7 9.960 -3.919 -6.801 1.00 0.00 C ATOM 61 C GLY A 7 10.267 -2.945 -5.681 1.00 0.00 C ATOM 62 O GLY A 7 11.426 -2.604 -5.448 1.00 0.00 O ATOM 0 H GLY A 7 9.670 -3.097 -8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.885 -4.098 -6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.435 -4.876 -6.586 1.00 0.00 H new ATOM 66 N GLN A 8 9.226 -2.494 -4.988 1.00 0.00 N ATOM 67 CA GLN A 8 9.391 -1.551 -3.889 1.00 0.00 C ATOM 68 C GLN A 8 8.434 -1.874 -2.746 1.00 0.00 C ATOM 69 O GLN A 8 7.231 -1.629 -2.843 1.00 0.00 O ATOM 70 CB GLN A 8 9.158 -0.120 -4.377 1.00 0.00 C ATOM 71 CG GLN A 8 10.239 0.385 -5.318 1.00 0.00 C ATOM 72 CD GLN A 8 9.903 1.735 -5.922 1.00 0.00 C ATOM 73 OE1 GLN A 8 9.279 1.817 -6.980 1.00 0.00 O ATOM 74 NE2 GLN A 8 10.315 2.803 -5.249 1.00 0.00 N ATOM 0 H GLN A 8 8.260 -2.767 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 8 10.412 -1.639 -3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.194 -0.070 -4.884 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.099 0.544 -3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.182 0.458 -4.776 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.387 -0.340 -6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.829 2.688 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.117 3.738 -5.605 1.00 0.00 H new ATOM 83 N TYR A 9 8.975 -2.424 -1.665 1.00 0.00 N ATOM 84 CA TYR A 9 8.168 -2.783 -0.505 1.00 0.00 C ATOM 85 C TYR A 9 8.221 -1.688 0.556 1.00 0.00 C ATOM 86 O TYR A 9 9.272 -1.095 0.800 1.00 0.00 O ATOM 87 CB TYR A 9 8.652 -4.107 0.089 1.00 0.00 C ATOM 88 CG TYR A 9 8.987 -5.152 -0.952 1.00 0.00 C ATOM 89 CD1 TYR A 9 8.077 -5.485 -1.948 1.00 0.00 C ATOM 90 CD2 TYR A 9 10.214 -5.804 -0.940 1.00 0.00 C ATOM 91 CE1 TYR A 9 8.379 -6.439 -2.900 1.00 0.00 C ATOM 92 CE2 TYR A 9 10.524 -6.758 -1.890 1.00 0.00 C ATOM 93 CZ TYR A 9 9.603 -7.073 -2.867 1.00 0.00 C ATOM 94 OH TYR A 9 9.908 -8.022 -3.815 1.00 0.00 O ATOM 0 H TYR A 9 9.969 -2.631 -1.568 1.00 0.00 H new ATOM 0 HA TYR A 9 7.135 -2.895 -0.834 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.534 -3.920 0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.882 -4.501 0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.118 -4.990 -1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.937 -5.561 -0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.660 -6.687 -3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.483 -7.255 -1.868 1.00 0.00 H new ATOM 0 HH TYR A 9 10.809 -8.371 -3.651 1.00 0.00 H new ATOM 104 N PHE A 10 7.080 -1.425 1.183 1.00 0.00 N ATOM 105 CA PHE A 10 6.994 -0.401 2.218 1.00 0.00 C ATOM 106 C PHE A 10 6.224 -0.916 3.431 1.00 0.00 C ATOM 107 O PHE A 10 5.341 -1.764 3.305 1.00 0.00 O ATOM 108 CB PHE A 10 6.318 0.856 1.666 1.00 0.00 C ATOM 109 CG PHE A 10 7.247 1.746 0.892 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.741 1.349 -0.341 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.627 2.979 1.396 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.596 2.166 -1.056 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.481 3.800 0.685 1.00 0.00 C ATOM 114 CZ PHE A 10 8.967 3.393 -0.542 1.00 0.00 C ATOM 0 H PHE A 10 6.201 -1.907 0.993 1.00 0.00 H new ATOM 0 HA PHE A 10 8.007 -0.152 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.490 0.560 1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.891 1.422 2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.454 0.390 -0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.251 3.302 2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.974 1.845 -2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.768 4.760 1.089 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.636 4.033 -1.098 1.00 0.00 H new ATOM 124 N VAL A 11 6.567 -0.398 4.605 1.00 0.00 N ATOM 125 CA VAL A 11 5.909 -0.804 5.842 1.00 0.00 C ATOM 126 C VAL A 11 5.081 0.336 6.423 1.00 0.00 C ATOM 127 O VAL A 11 5.463 1.503 6.335 1.00 0.00 O ATOM 128 CB VAL A 11 6.932 -1.270 6.895 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.899 -0.146 7.234 1.00 0.00 C ATOM 130 CG2 VAL A 11 6.220 -1.767 8.144 1.00 0.00 C ATOM 0 H VAL A 11 7.297 0.304 4.727 1.00 0.00 H new ATOM 0 HA VAL A 11 5.251 -1.637 5.593 1.00 0.00 H new ATOM 0 HB VAL A 11 7.506 -2.097 6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.614 -0.494 7.979 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.433 0.159 6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.344 0.704 7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.957 -2.093 8.878 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.620 -0.961 8.566 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.572 -2.604 7.885 1.00 0.00 H new ATOM 140 N ALA A 12 3.944 -0.010 7.019 1.00 0.00 N ATOM 141 CA ALA A 12 3.063 0.984 7.618 1.00 0.00 C ATOM 142 C ALA A 12 3.504 1.326 9.037 1.00 0.00 C ATOM 143 O ALA A 12 3.374 0.511 9.952 1.00 0.00 O ATOM 144 CB ALA A 12 1.626 0.485 7.616 1.00 0.00 C ATOM 0 H ALA A 12 3.612 -0.971 7.099 1.00 0.00 H new ATOM 0 HA ALA A 12 3.122 1.893 7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.979 1.238 8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.307 0.299 6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.561 -0.440 8.190 1.00 0.00 H new ATOM 150 N LEU A 13 4.027 2.534 9.214 1.00 0.00 N ATOM 151 CA LEU A 13 4.489 2.984 10.523 1.00 0.00 C ATOM 152 C LEU A 13 3.323 3.108 11.499 1.00 0.00 C ATOM 153 O LEU A 13 3.466 2.838 12.691 1.00 0.00 O ATOM 154 CB LEU A 13 5.210 4.327 10.398 1.00 0.00 C ATOM 155 CG LEU A 13 6.429 4.351 9.475 1.00 0.00 C ATOM 156 CD1 LEU A 13 6.626 5.740 8.887 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.675 3.907 10.228 1.00 0.00 C ATOM 0 H LEU A 13 4.142 3.220 8.468 1.00 0.00 H new ATOM 0 HA LEU A 13 5.185 2.240 10.910 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.495 5.069 10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.526 4.641 11.393 1.00 0.00 H new ATOM 0 HG LEU A 13 6.255 3.654 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.498 5.738 8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.743 6.021 8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.779 6.458 9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.533 3.930 9.557 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.852 4.580 11.067 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.533 2.893 10.601 1.00 0.00 H new ATOM 169 N PHE A 14 2.168 3.518 10.984 1.00 0.00 N ATOM 170 CA PHE A 14 0.977 3.677 11.809 1.00 0.00 C ATOM 171 C PHE A 14 -0.219 2.966 11.181 1.00 0.00 C ATOM 172 O PHE A 14 -0.138 2.466 10.059 1.00 0.00 O ATOM 173 CB PHE A 14 0.658 5.161 12.002 1.00 0.00 C ATOM 174 CG PHE A 14 1.872 6.004 12.271 1.00 0.00 C ATOM 175 CD1 PHE A 14 2.314 6.212 13.567 1.00 0.00 C ATOM 176 CD2 PHE A 14 2.569 6.591 11.227 1.00 0.00 C ATOM 177 CE1 PHE A 14 3.431 6.987 13.818 1.00 0.00 C ATOM 178 CE2 PHE A 14 3.687 7.367 11.471 1.00 0.00 C ATOM 179 CZ PHE A 14 4.117 7.566 12.769 1.00 0.00 C ATOM 0 H PHE A 14 2.032 3.746 9.999 1.00 0.00 H new ATOM 0 HA PHE A 14 1.177 3.226 12.781 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.155 5.536 11.110 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.041 5.270 12.831 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.780 5.763 14.391 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.235 6.441 10.211 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.767 7.139 14.833 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.223 7.817 10.649 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.989 8.174 12.963 1.00 0.00 H new ATOM 189 N ASP A 15 -1.326 2.925 11.914 1.00 0.00 N ATOM 190 CA ASP A 15 -2.539 2.277 11.430 1.00 0.00 C ATOM 191 C ASP A 15 -3.370 3.238 10.585 1.00 0.00 C ATOM 192 O ASP A 15 -3.411 4.439 10.853 1.00 0.00 O ATOM 193 CB ASP A 15 -3.371 1.761 12.605 1.00 0.00 C ATOM 194 CG ASP A 15 -3.665 2.843 13.625 1.00 0.00 C ATOM 195 OD1 ASP A 15 -4.510 3.716 13.337 1.00 0.00 O ATOM 196 OD2 ASP A 15 -3.048 2.819 14.711 1.00 0.00 O ATOM 0 H ASP A 15 -1.408 3.333 12.845 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.245 1.434 10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.310 1.354 12.230 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.840 0.942 13.091 1.00 0.00 H new ATOM 201 N TYR A 16 -4.029 2.702 9.564 1.00 0.00 N ATOM 202 CA TYR A 16 -4.856 3.513 8.678 1.00 0.00 C ATOM 203 C TYR A 16 -6.127 2.766 8.284 1.00 0.00 C ATOM 204 O TYR A 16 -6.185 1.539 8.354 1.00 0.00 O ATOM 205 CB TYR A 16 -4.070 3.900 7.425 1.00 0.00 C ATOM 206 CG TYR A 16 -4.894 4.644 6.399 1.00 0.00 C ATOM 207 CD1 TYR A 16 -4.986 6.030 6.425 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.579 3.961 5.402 1.00 0.00 C ATOM 209 CE1 TYR A 16 -5.739 6.714 5.490 1.00 0.00 C ATOM 210 CE2 TYR A 16 -6.333 4.637 4.461 1.00 0.00 C ATOM 211 CZ TYR A 16 -6.410 6.013 4.510 1.00 0.00 C ATOM 212 OH TYR A 16 -7.159 6.690 3.576 1.00 0.00 O ATOM 0 H TYR A 16 -4.007 1.710 9.329 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.140 4.418 9.215 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.221 4.519 7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.664 2.998 6.968 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.460 6.582 7.189 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.521 2.883 5.361 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.802 7.792 5.526 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.859 4.091 3.692 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.563 7.128 2.934 1.00 0.00 H new ATOM 222 N GLN A 17 -7.142 3.517 7.870 1.00 0.00 N ATOM 223 CA GLN A 17 -8.412 2.927 7.464 1.00 0.00 C ATOM 224 C GLN A 17 -9.062 3.744 6.353 1.00 0.00 C ATOM 225 O GLN A 17 -9.549 4.850 6.586 1.00 0.00 O ATOM 226 CB GLN A 17 -9.359 2.829 8.662 1.00 0.00 C ATOM 227 CG GLN A 17 -9.042 1.672 9.595 1.00 0.00 C ATOM 228 CD GLN A 17 -10.099 1.478 10.665 1.00 0.00 C ATOM 229 OE1 GLN A 17 -10.783 0.455 10.700 1.00 0.00 O ATOM 230 NE2 GLN A 17 -10.238 2.463 11.544 1.00 0.00 N ATOM 0 H GLN A 17 -7.110 4.535 7.807 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.213 1.925 7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.316 3.761 9.225 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.381 2.722 8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.948 0.756 9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.077 1.848 10.071 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.649 3.293 11.477 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.934 2.390 12.286 1.00 0.00 H new ATOM 239 N ALA A 18 -9.066 3.192 5.144 1.00 0.00 N ATOM 240 CA ALA A 18 -9.657 3.870 3.996 1.00 0.00 C ATOM 241 C ALA A 18 -10.933 4.606 4.391 1.00 0.00 C ATOM 242 O ALA A 18 -11.696 4.137 5.236 1.00 0.00 O ATOM 243 CB ALA A 18 -9.944 2.872 2.885 1.00 0.00 C ATOM 0 H ALA A 18 -8.667 2.277 4.934 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.941 4.607 3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.385 3.391 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.014 2.394 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.639 2.114 3.247 1.00 0.00 H new ATOM 249 N ARG A 19 -11.157 5.763 3.776 1.00 0.00 N ATOM 250 CA ARG A 19 -12.340 6.565 4.065 1.00 0.00 C ATOM 251 C ARG A 19 -13.365 6.448 2.941 1.00 0.00 C ATOM 252 O ARG A 19 -14.562 6.306 3.189 1.00 0.00 O ATOM 253 CB ARG A 19 -11.951 8.031 4.265 1.00 0.00 C ATOM 254 CG ARG A 19 -10.975 8.252 5.409 1.00 0.00 C ATOM 255 CD ARG A 19 -11.649 8.068 6.760 1.00 0.00 C ATOM 256 NE ARG A 19 -12.288 9.297 7.224 1.00 0.00 N ATOM 257 CZ ARG A 19 -11.635 10.280 7.834 1.00 0.00 C ATOM 258 NH1 ARG A 19 -10.331 10.179 8.050 1.00 0.00 N ATOM 259 NH2 ARG A 19 -12.286 11.367 8.227 1.00 0.00 N ATOM 0 H ARG A 19 -10.535 6.166 3.075 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.789 6.186 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.509 8.410 3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.852 8.615 4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.143 7.554 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.557 9.257 5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.395 7.276 6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.910 7.744 7.493 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.291 9.406 7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.827 9.345 7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.832 10.935 8.519 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.289 11.449 8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.783 12.121 8.695 1.00 0.00 H new ATOM 273 N THR A 20 -12.886 6.509 1.702 1.00 0.00 N ATOM 274 CA THR A 20 -13.759 6.412 0.539 1.00 0.00 C ATOM 275 C THR A 20 -13.597 5.067 -0.159 1.00 0.00 C ATOM 276 O THR A 20 -12.751 4.258 0.220 1.00 0.00 O ATOM 277 CB THR A 20 -13.477 7.540 -0.471 1.00 0.00 C ATOM 278 OG1 THR A 20 -12.072 7.624 -0.732 1.00 0.00 O ATOM 279 CG2 THR A 20 -13.981 8.876 0.054 1.00 0.00 C ATOM 0 H THR A 20 -11.898 6.625 1.479 1.00 0.00 H new ATOM 0 HA THR A 20 -14.782 6.508 0.903 1.00 0.00 H new ATOM 0 HB THR A 20 -14.005 7.309 -1.396 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.642 6.779 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 20 -13.770 9.657 -0.677 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.056 8.818 0.224 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.478 9.112 0.992 1.00 0.00 H new ATOM 287 N ALA A 21 -14.412 4.835 -1.183 1.00 0.00 N ATOM 288 CA ALA A 21 -14.357 3.589 -1.936 1.00 0.00 C ATOM 289 C ALA A 21 -12.981 3.386 -2.561 1.00 0.00 C ATOM 290 O ALA A 21 -12.373 2.326 -2.415 1.00 0.00 O ATOM 291 CB ALA A 21 -15.434 3.573 -3.011 1.00 0.00 C ATOM 0 H ALA A 21 -15.118 5.494 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.538 2.767 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -15.381 2.636 -3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -16.415 3.663 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.279 4.408 -3.694 1.00 0.00 H new ATOM 297 N GLU A 22 -12.495 4.409 -3.258 1.00 0.00 N ATOM 298 CA GLU A 22 -11.191 4.340 -3.906 1.00 0.00 C ATOM 299 C GLU A 22 -10.069 4.562 -2.896 1.00 0.00 C ATOM 300 O GLU A 22 -9.525 5.661 -2.788 1.00 0.00 O ATOM 301 CB GLU A 22 -11.098 5.380 -5.025 1.00 0.00 C ATOM 302 CG GLU A 22 -11.684 4.909 -6.345 1.00 0.00 C ATOM 303 CD GLU A 22 -11.116 5.655 -7.536 1.00 0.00 C ATOM 304 OE1 GLU A 22 -9.958 5.377 -7.913 1.00 0.00 O ATOM 305 OE2 GLU A 22 -11.828 6.518 -8.091 1.00 0.00 O ATOM 0 H GLU A 22 -12.985 5.294 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.079 3.344 -4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.615 6.287 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.052 5.646 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.491 3.843 -6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.766 5.037 -6.324 1.00 0.00 H new ATOM 312 N ASP A 23 -9.729 3.510 -2.159 1.00 0.00 N ATOM 313 CA ASP A 23 -8.672 3.589 -1.157 1.00 0.00 C ATOM 314 C ASP A 23 -8.401 2.218 -0.545 1.00 0.00 C ATOM 315 O ASP A 23 -9.236 1.316 -0.621 1.00 0.00 O ATOM 316 CB ASP A 23 -9.052 4.584 -0.060 1.00 0.00 C ATOM 317 CG ASP A 23 -8.647 6.005 -0.401 1.00 0.00 C ATOM 318 OD1 ASP A 23 -7.429 6.270 -0.482 1.00 0.00 O ATOM 319 OD2 ASP A 23 -9.547 6.851 -0.587 1.00 0.00 O ATOM 0 H ASP A 23 -10.170 2.593 -2.236 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.763 3.934 -1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.129 4.546 0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.577 4.288 0.875 1.00 0.00 H new ATOM 324 N LEU A 24 -7.228 2.068 0.060 1.00 0.00 N ATOM 325 CA LEU A 24 -6.845 0.806 0.684 1.00 0.00 C ATOM 326 C LEU A 24 -6.552 1.000 2.169 1.00 0.00 C ATOM 327 O LEU A 24 -5.901 1.968 2.562 1.00 0.00 O ATOM 328 CB LEU A 24 -5.619 0.218 -0.017 1.00 0.00 C ATOM 329 CG LEU A 24 -5.426 -1.292 0.122 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.399 -2.040 -0.776 1.00 0.00 C ATOM 331 CD2 LEU A 24 -3.991 -1.679 -0.205 1.00 0.00 C ATOM 0 H LEU A 24 -6.526 2.804 0.132 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.680 0.112 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.681 0.460 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.730 0.715 0.372 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.630 -1.571 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.246 -3.113 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.421 -1.787 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.228 -1.756 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.872 -2.757 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.759 -1.386 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.312 -1.171 0.480 1.00 0.00 H new ATOM 343 N SER A 25 -7.034 0.071 2.988 1.00 0.00 N ATOM 344 CA SER A 25 -6.825 0.141 4.430 1.00 0.00 C ATOM 345 C SER A 25 -5.641 -0.725 4.849 1.00 0.00 C ATOM 346 O SER A 25 -5.258 -1.657 4.143 1.00 0.00 O ATOM 347 CB SER A 25 -8.087 -0.306 5.171 1.00 0.00 C ATOM 348 OG SER A 25 -7.905 -0.235 6.575 1.00 0.00 O ATOM 0 H SER A 25 -7.572 -0.739 2.678 1.00 0.00 H new ATOM 0 HA SER A 25 -6.606 1.176 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.927 0.323 4.878 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.338 -1.327 4.885 1.00 0.00 H new ATOM 0 HG SER A 25 -8.767 -0.064 7.008 1.00 0.00 H new ATOM 354 N PHE A 26 -5.066 -0.409 6.005 1.00 0.00 N ATOM 355 CA PHE A 26 -3.924 -1.156 6.520 1.00 0.00 C ATOM 356 C PHE A 26 -3.670 -0.819 7.986 1.00 0.00 C ATOM 357 O PHE A 26 -4.210 0.154 8.513 1.00 0.00 O ATOM 358 CB PHE A 26 -2.674 -0.853 5.691 1.00 0.00 C ATOM 359 CG PHE A 26 -2.375 0.614 5.571 1.00 0.00 C ATOM 360 CD1 PHE A 26 -1.664 1.273 6.560 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.806 1.333 4.468 1.00 0.00 C ATOM 362 CE1 PHE A 26 -1.388 2.623 6.451 1.00 0.00 C ATOM 363 CE2 PHE A 26 -2.534 2.684 4.354 1.00 0.00 C ATOM 364 CZ PHE A 26 -1.823 3.329 5.347 1.00 0.00 C ATOM 0 H PHE A 26 -5.372 0.359 6.603 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.153 -2.219 6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.818 -1.354 6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.799 -1.273 4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.321 0.726 7.426 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.361 0.833 3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.832 3.125 7.229 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.877 3.234 3.490 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.608 4.384 5.260 1.00 0.00 H new ATOM 374 N ARG A 27 -2.846 -1.632 8.639 1.00 0.00 N ATOM 375 CA ARG A 27 -2.522 -1.422 10.045 1.00 0.00 C ATOM 376 C ARG A 27 -1.013 -1.317 10.245 1.00 0.00 C ATOM 377 O ARG A 27 -0.234 -1.624 9.343 1.00 0.00 O ATOM 378 CB ARG A 27 -3.082 -2.564 10.896 1.00 0.00 C ATOM 379 CG ARG A 27 -4.596 -2.546 11.018 1.00 0.00 C ATOM 380 CD ARG A 27 -5.065 -1.466 11.980 1.00 0.00 C ATOM 381 NE ARG A 27 -5.081 -1.934 13.363 1.00 0.00 N ATOM 382 CZ ARG A 27 -5.580 -1.229 14.373 1.00 0.00 C ATOM 383 NH1 ARG A 27 -6.101 -0.029 14.154 1.00 0.00 N ATOM 384 NH2 ARG A 27 -5.558 -1.723 15.604 1.00 0.00 N ATOM 0 H ARG A 27 -2.391 -2.442 8.217 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.979 -0.485 10.361 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.772 -3.515 10.462 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.645 -2.511 11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.039 -2.378 10.036 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.946 -3.519 11.363 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.410 -0.599 11.898 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.065 -1.138 11.697 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.687 -2.853 13.565 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.119 0.354 13.209 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.483 0.510 14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.158 -2.645 15.776 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.941 -1.181 16.378 1.00 0.00 H new ATOM 398 N ALA A 28 -0.607 -0.881 11.433 1.00 0.00 N ATOM 399 CA ALA A 28 0.808 -0.737 11.752 1.00 0.00 C ATOM 400 C ALA A 28 1.547 -2.059 11.576 1.00 0.00 C ATOM 401 O ALA A 28 1.325 -3.010 12.324 1.00 0.00 O ATOM 402 CB ALA A 28 0.978 -0.220 13.173 1.00 0.00 C ATOM 0 H ALA A 28 -1.238 -0.621 12.191 1.00 0.00 H new ATOM 0 HA ALA A 28 1.240 -0.014 11.060 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.040 -0.117 13.398 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.491 0.751 13.268 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.525 -0.923 13.872 1.00 0.00 H new ATOM 408 N GLY A 29 2.428 -2.111 10.582 1.00 0.00 N ATOM 409 CA GLY A 29 3.187 -3.322 10.325 1.00 0.00 C ATOM 410 C GLY A 29 2.594 -4.151 9.204 1.00 0.00 C ATOM 411 O GLY A 29 2.637 -5.380 9.242 1.00 0.00 O ATOM 0 H GLY A 29 2.630 -1.336 9.950 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.214 -3.057 10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.227 -3.922 11.234 1.00 0.00 H new ATOM 415 N ASP A 30 2.037 -3.477 8.203 1.00 0.00 N ATOM 416 CA ASP A 30 1.431 -4.159 7.065 1.00 0.00 C ATOM 417 C ASP A 30 2.331 -4.071 5.837 1.00 0.00 C ATOM 418 O ASP A 30 2.780 -2.988 5.459 1.00 0.00 O ATOM 419 CB ASP A 30 0.060 -3.558 6.753 1.00 0.00 C ATOM 420 CG ASP A 30 -1.026 -4.085 7.670 1.00 0.00 C ATOM 421 OD1 ASP A 30 -0.842 -4.022 8.904 1.00 0.00 O ATOM 422 OD2 ASP A 30 -2.059 -4.561 7.154 1.00 0.00 O ATOM 0 H ASP A 30 1.993 -2.459 8.157 1.00 0.00 H new ATOM 0 HA ASP A 30 1.306 -5.210 7.327 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.113 -2.473 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.203 -3.779 5.719 1.00 0.00 H new ATOM 427 N LYS A 31 2.592 -5.217 5.217 1.00 0.00 N ATOM 428 CA LYS A 31 3.438 -5.270 4.031 1.00 0.00 C ATOM 429 C LYS A 31 2.677 -4.794 2.798 1.00 0.00 C ATOM 430 O LYS A 31 1.684 -5.400 2.396 1.00 0.00 O ATOM 431 CB LYS A 31 3.950 -6.695 3.808 1.00 0.00 C ATOM 432 CG LYS A 31 4.899 -7.178 4.892 1.00 0.00 C ATOM 433 CD LYS A 31 6.292 -6.598 4.712 1.00 0.00 C ATOM 434 CE LYS A 31 7.273 -7.183 5.717 1.00 0.00 C ATOM 435 NZ LYS A 31 8.521 -6.376 5.807 1.00 0.00 N ATOM 0 H LYS A 31 2.229 -6.122 5.517 1.00 0.00 H new ATOM 0 HA LYS A 31 4.287 -4.606 4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.099 -7.373 3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.458 -6.743 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.510 -6.895 5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.952 -8.267 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.643 -6.799 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.254 -5.515 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.801 -7.233 6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.521 -8.205 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.276 -6.950 6.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.811 -6.077 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.350 -5.536 6.396 1.00 0.00 H new ATOM 449 N LEU A 32 3.150 -3.705 2.201 1.00 0.00 N ATOM 450 CA LEU A 32 2.515 -3.148 1.012 1.00 0.00 C ATOM 451 C LEU A 32 3.559 -2.743 -0.024 1.00 0.00 C ATOM 452 O LEU A 32 4.542 -2.077 0.300 1.00 0.00 O ATOM 453 CB LEU A 32 1.657 -1.938 1.388 1.00 0.00 C ATOM 454 CG LEU A 32 0.583 -2.181 2.448 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.259 -0.890 3.185 1.00 0.00 C ATOM 456 CD2 LEU A 32 -0.671 -2.764 1.814 1.00 0.00 C ATOM 0 H LEU A 32 3.971 -3.191 2.521 1.00 0.00 H new ATOM 0 HA LEU A 32 1.877 -3.917 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.317 -1.146 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.171 -1.568 0.485 1.00 0.00 H new ATOM 0 HG LEU A 32 0.969 -2.901 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.508 -1.082 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.158 -0.514 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.106 -0.148 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.424 -2.930 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.060 -2.068 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.429 -3.712 1.333 1.00 0.00 H new ATOM 468 N GLN A 33 3.337 -3.148 -1.270 1.00 0.00 N ATOM 469 CA GLN A 33 4.258 -2.826 -2.353 1.00 0.00 C ATOM 470 C GLN A 33 3.727 -1.669 -3.194 1.00 0.00 C ATOM 471 O GLN A 33 2.640 -1.752 -3.766 1.00 0.00 O ATOM 472 CB GLN A 33 4.487 -4.052 -3.239 1.00 0.00 C ATOM 473 CG GLN A 33 5.438 -3.798 -4.396 1.00 0.00 C ATOM 474 CD GLN A 33 5.202 -4.737 -5.563 1.00 0.00 C ATOM 475 OE1 GLN A 33 4.583 -5.790 -5.412 1.00 0.00 O ATOM 476 NE2 GLN A 33 5.694 -4.358 -6.737 1.00 0.00 N ATOM 0 H GLN A 33 2.528 -3.700 -1.554 1.00 0.00 H new ATOM 0 HA GLN A 33 5.207 -2.524 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.881 -4.863 -2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.529 -4.388 -3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.325 -2.768 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.465 -3.908 -4.048 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.201 -3.477 -6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.565 -4.948 -7.559 1.00 0.00 H new ATOM 485 N VAL A 34 4.501 -0.591 -3.263 1.00 0.00 N ATOM 486 CA VAL A 34 4.109 0.583 -4.034 1.00 0.00 C ATOM 487 C VAL A 34 4.189 0.309 -5.531 1.00 0.00 C ATOM 488 O VAL A 34 5.236 -0.087 -6.046 1.00 0.00 O ATOM 489 CB VAL A 34 4.995 1.797 -3.697 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.759 2.923 -4.692 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.734 2.269 -2.275 1.00 0.00 C ATOM 0 H VAL A 34 5.403 -0.506 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 34 3.078 0.809 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 34 6.039 1.493 -3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.394 3.772 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.001 2.577 -5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.713 3.228 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.369 3.127 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.687 2.556 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.959 1.463 -1.577 1.00 0.00 H new ATOM 501 N LEU A 35 3.078 0.523 -6.227 1.00 0.00 N ATOM 502 CA LEU A 35 3.022 0.299 -7.667 1.00 0.00 C ATOM 503 C LEU A 35 3.141 1.616 -8.427 1.00 0.00 C ATOM 504 O LEU A 35 4.018 1.777 -9.276 1.00 0.00 O ATOM 505 CB LEU A 35 1.716 -0.403 -8.044 1.00 0.00 C ATOM 506 CG LEU A 35 1.325 -1.601 -7.178 1.00 0.00 C ATOM 507 CD1 LEU A 35 -0.176 -1.838 -7.241 1.00 0.00 C ATOM 508 CD2 LEU A 35 2.082 -2.846 -7.618 1.00 0.00 C ATOM 0 H LEU A 35 2.204 0.851 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 35 3.863 -0.337 -7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.909 0.328 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.792 -0.737 -9.079 1.00 0.00 H new ATOM 0 HG LEU A 35 1.594 -1.382 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.436 -2.694 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.700 -0.954 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.470 -2.036 -8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.792 -3.689 -6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.843 -3.068 -8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.154 -2.674 -7.520 1.00 0.00 H new ATOM 520 N ASP A 36 2.256 2.556 -8.116 1.00 0.00 N ATOM 521 CA ASP A 36 2.264 3.861 -8.767 1.00 0.00 C ATOM 522 C ASP A 36 2.758 4.942 -7.811 1.00 0.00 C ATOM 523 O ASP A 36 2.395 4.959 -6.634 1.00 0.00 O ATOM 524 CB ASP A 36 0.864 4.211 -9.273 1.00 0.00 C ATOM 525 CG ASP A 36 0.897 5.131 -10.477 1.00 0.00 C ATOM 526 OD1 ASP A 36 1.856 5.036 -11.271 1.00 0.00 O ATOM 527 OD2 ASP A 36 -0.037 5.946 -10.626 1.00 0.00 O ATOM 0 H ASP A 36 1.523 2.439 -7.416 1.00 0.00 H new ATOM 0 HA ASP A 36 2.947 3.812 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.336 3.294 -9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.299 4.687 -8.471 1.00 0.00 H new ATOM 532 N THR A 37 3.589 5.845 -8.324 1.00 0.00 N ATOM 533 CA THR A 37 4.134 6.928 -7.516 1.00 0.00 C ATOM 534 C THR A 37 4.027 8.264 -8.243 1.00 0.00 C ATOM 535 O THR A 37 4.875 9.140 -8.080 1.00 0.00 O ATOM 536 CB THR A 37 5.609 6.671 -7.154 1.00 0.00 C ATOM 537 OG1 THR A 37 6.365 6.400 -8.340 1.00 0.00 O ATOM 538 CG2 THR A 37 5.733 5.501 -6.189 1.00 0.00 C ATOM 0 H THR A 37 3.899 5.847 -9.296 1.00 0.00 H new ATOM 0 HA THR A 37 3.544 6.967 -6.600 1.00 0.00 H new ATOM 0 HB THR A 37 6.002 7.565 -6.670 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.302 6.239 -8.101 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.783 5.338 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.181 5.723 -5.276 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.324 4.603 -6.652 1.00 0.00 H new ATOM 546 N SER A 38 2.978 8.413 -9.046 1.00 0.00 N ATOM 547 CA SER A 38 2.761 9.641 -9.800 1.00 0.00 C ATOM 548 C SER A 38 1.927 10.633 -8.995 1.00 0.00 C ATOM 549 O SER A 38 1.004 11.256 -9.521 1.00 0.00 O ATOM 550 CB SER A 38 2.067 9.334 -11.128 1.00 0.00 C ATOM 551 OG SER A 38 2.845 8.451 -11.918 1.00 0.00 O ATOM 0 H SER A 38 2.265 7.698 -9.191 1.00 0.00 H new ATOM 0 HA SER A 38 3.733 10.090 -10.002 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.090 8.891 -10.937 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.895 10.261 -11.675 1.00 0.00 H new ATOM 0 HG SER A 38 2.379 8.269 -12.761 1.00 0.00 H new ATOM 557 N HIS A 39 2.259 10.775 -7.716 1.00 0.00 N ATOM 558 CA HIS A 39 1.542 11.692 -6.837 1.00 0.00 C ATOM 559 C HIS A 39 2.245 11.812 -5.488 1.00 0.00 C ATOM 560 O HIS A 39 2.277 10.862 -4.708 1.00 0.00 O ATOM 561 CB HIS A 39 0.103 11.217 -6.635 1.00 0.00 C ATOM 562 CG HIS A 39 -0.859 12.327 -6.346 1.00 0.00 C ATOM 563 ND1 HIS A 39 -1.862 12.229 -5.405 1.00 0.00 N ATOM 564 CD2 HIS A 39 -0.967 13.567 -6.880 1.00 0.00 C ATOM 565 CE1 HIS A 39 -2.546 13.358 -5.374 1.00 0.00 C ATOM 566 NE2 HIS A 39 -2.023 14.187 -6.259 1.00 0.00 N ATOM 0 H HIS A 39 3.020 10.267 -7.265 1.00 0.00 H new ATOM 0 HA HIS A 39 1.529 12.674 -7.309 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.225 10.687 -7.529 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.077 10.502 -5.813 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.339 13.989 -7.651 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.390 13.568 -4.734 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.350 15.134 -6.450 1.00 0.00 H new ATOM 575 N GLU A 40 2.807 12.987 -5.222 1.00 0.00 N ATOM 576 CA GLU A 40 3.511 13.230 -3.968 1.00 0.00 C ATOM 577 C GLU A 40 2.538 13.243 -2.792 1.00 0.00 C ATOM 578 O GLU A 40 2.202 14.302 -2.263 1.00 0.00 O ATOM 579 CB GLU A 40 4.269 14.558 -4.032 1.00 0.00 C ATOM 580 CG GLU A 40 3.589 15.606 -4.896 1.00 0.00 C ATOM 581 CD GLU A 40 4.095 17.008 -4.619 1.00 0.00 C ATOM 582 OE1 GLU A 40 4.733 17.210 -3.564 1.00 0.00 O ATOM 583 OE2 GLU A 40 3.854 17.903 -5.456 1.00 0.00 O ATOM 0 H GLU A 40 2.789 13.785 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 40 4.225 12.420 -3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.383 14.951 -3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.272 14.376 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.751 15.366 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.513 15.571 -4.724 1.00 0.00 H new ATOM 590 N GLY A 41 2.089 12.058 -2.390 1.00 0.00 N ATOM 591 CA GLY A 41 1.159 11.955 -1.280 1.00 0.00 C ATOM 592 C GLY A 41 0.438 10.623 -1.251 1.00 0.00 C ATOM 593 O GLY A 41 0.550 9.870 -0.283 1.00 0.00 O ATOM 0 H GLY A 41 2.352 11.168 -2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.699 12.093 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.427 12.760 -1.347 1.00 0.00 H new ATOM 597 N TRP A 42 -0.306 10.331 -2.312 1.00 0.00 N ATOM 598 CA TRP A 42 -1.051 9.080 -2.402 1.00 0.00 C ATOM 599 C TRP A 42 -0.432 8.153 -3.443 1.00 0.00 C ATOM 600 O TRP A 42 -0.218 8.546 -4.589 1.00 0.00 O ATOM 601 CB TRP A 42 -2.513 9.358 -2.754 1.00 0.00 C ATOM 602 CG TRP A 42 -3.226 10.180 -1.723 1.00 0.00 C ATOM 603 CD1 TRP A 42 -3.329 11.541 -1.688 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.933 9.692 -0.577 1.00 0.00 C ATOM 605 NE1 TRP A 42 -4.058 11.929 -0.590 1.00 0.00 N ATOM 606 CE2 TRP A 42 -4.440 10.814 0.108 1.00 0.00 C ATOM 607 CE3 TRP A 42 -4.188 8.418 -0.064 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -5.185 10.697 1.278 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -4.928 8.303 1.098 1.00 0.00 C ATOM 610 CH2 TRP A 42 -5.420 9.437 1.758 1.00 0.00 C ATOM 0 H TRP A 42 -0.409 10.943 -3.121 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.006 8.587 -1.431 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.557 9.874 -3.713 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.036 8.410 -2.878 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.900 12.214 -2.416 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -4.279 12.892 -0.336 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.814 7.538 -0.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.564 11.570 1.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.130 7.323 1.504 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.996 9.314 2.663 1.00 0.00 H new ATOM 621 N TRP A 43 -0.148 6.921 -3.036 1.00 0.00 N ATOM 622 CA TRP A 43 0.446 5.937 -3.934 1.00 0.00 C ATOM 623 C TRP A 43 -0.455 4.716 -4.077 1.00 0.00 C ATOM 624 O TRP A 43 -1.231 4.396 -3.176 1.00 0.00 O ATOM 625 CB TRP A 43 1.823 5.513 -3.420 1.00 0.00 C ATOM 626 CG TRP A 43 2.828 6.625 -3.426 1.00 0.00 C ATOM 627 CD1 TRP A 43 2.809 7.743 -4.210 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.000 6.725 -2.610 1.00 0.00 C ATOM 629 NE1 TRP A 43 3.899 8.532 -3.931 1.00 0.00 N ATOM 630 CE2 TRP A 43 4.644 7.930 -2.952 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.566 5.915 -1.622 1.00 0.00 C ATOM 632 CZ2 TRP A 43 5.826 8.341 -2.342 1.00 0.00 C ATOM 633 CZ3 TRP A 43 5.740 6.325 -1.017 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.359 7.529 -1.378 1.00 0.00 C ATOM 0 H TRP A 43 -0.319 6.580 -2.090 1.00 0.00 H new ATOM 0 HA TRP A 43 0.558 6.399 -4.915 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.722 5.130 -2.405 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.195 4.693 -4.034 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.049 7.973 -4.942 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.118 9.421 -4.380 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.095 4.986 -1.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.305 9.268 -2.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.187 5.706 -0.253 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.275 7.822 -0.886 1.00 0.00 H new ATOM 645 N LEU A 44 -0.349 4.037 -5.214 1.00 0.00 N ATOM 646 CA LEU A 44 -1.155 2.850 -5.475 1.00 0.00 C ATOM 647 C LEU A 44 -0.378 1.580 -5.141 1.00 0.00 C ATOM 648 O LEU A 44 0.467 1.136 -5.917 1.00 0.00 O ATOM 649 CB LEU A 44 -1.597 2.821 -6.939 1.00 0.00 C ATOM 650 CG LEU A 44 -2.375 1.581 -7.380 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.792 1.615 -6.830 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.392 1.475 -8.898 1.00 0.00 C ATOM 0 H LEU A 44 0.288 4.289 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.037 2.893 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.214 3.699 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.711 2.912 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.874 0.700 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.330 0.724 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.759 1.642 -5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.305 2.503 -7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.950 0.587 -9.194 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.869 2.360 -9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.370 1.402 -9.269 1.00 0.00 H new ATOM 664 N ALA A 45 -0.672 1.000 -3.982 1.00 0.00 N ATOM 665 CA ALA A 45 -0.005 -0.221 -3.548 1.00 0.00 C ATOM 666 C ALA A 45 -0.992 -1.378 -3.440 1.00 0.00 C ATOM 667 O ALA A 45 -2.205 -1.171 -3.422 1.00 0.00 O ATOM 668 CB ALA A 45 0.695 0.005 -2.216 1.00 0.00 C ATOM 0 H ALA A 45 -1.368 1.356 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 45 0.741 -0.484 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.189 -0.915 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.437 0.796 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.039 0.296 -1.464 1.00 0.00 H new ATOM 674 N ARG A 46 -0.464 -2.596 -3.368 1.00 0.00 N ATOM 675 CA ARG A 46 -1.300 -3.786 -3.264 1.00 0.00 C ATOM 676 C ARG A 46 -0.937 -4.598 -2.024 1.00 0.00 C ATOM 677 O ARG A 46 0.214 -4.600 -1.586 1.00 0.00 O ATOM 678 CB ARG A 46 -1.150 -4.652 -4.516 1.00 0.00 C ATOM 679 CG ARG A 46 0.133 -5.467 -4.543 1.00 0.00 C ATOM 680 CD ARG A 46 0.225 -6.318 -5.799 1.00 0.00 C ATOM 681 NE ARG A 46 1.156 -7.432 -5.638 1.00 0.00 N ATOM 682 CZ ARG A 46 1.125 -8.530 -6.386 1.00 0.00 C ATOM 683 NH1 ARG A 46 0.215 -8.660 -7.341 1.00 0.00 N ATOM 684 NH2 ARG A 46 2.007 -9.500 -6.179 1.00 0.00 N ATOM 0 H ARG A 46 0.538 -2.784 -3.380 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.338 -3.464 -3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.002 -5.329 -4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.182 -4.011 -5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.992 -4.798 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.176 -6.109 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.763 -6.705 -6.048 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.544 -5.696 -6.635 1.00 0.00 H new ATOM 0 HE ARG A 46 1.869 -7.363 -4.912 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.464 -7.916 -7.503 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.194 -9.504 -7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.709 -9.403 -5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.983 -10.343 -6.753 1.00 0.00 H new ATOM 698 N HIS A 47 -1.926 -5.286 -1.463 1.00 0.00 N ATOM 699 CA HIS A 47 -1.711 -6.102 -0.274 1.00 0.00 C ATOM 700 C HIS A 47 -0.815 -7.297 -0.589 1.00 0.00 C ATOM 701 O HIS A 47 -1.087 -8.062 -1.516 1.00 0.00 O ATOM 702 CB HIS A 47 -3.048 -6.587 0.287 1.00 0.00 C ATOM 703 CG HIS A 47 -3.649 -5.653 1.292 1.00 0.00 C ATOM 704 ND1 HIS A 47 -3.084 -5.409 2.526 1.00 0.00 N ATOM 705 CD2 HIS A 47 -4.773 -4.901 1.239 1.00 0.00 C ATOM 706 CE1 HIS A 47 -3.834 -4.548 3.189 1.00 0.00 C ATOM 707 NE2 HIS A 47 -4.866 -4.223 2.430 1.00 0.00 N ATOM 0 H HIS A 47 -2.884 -5.295 -1.813 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.214 -5.485 0.474 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.750 -6.723 -0.536 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.906 -7.564 0.750 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.468 -4.845 0.414 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.638 -4.173 4.183 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.610 -3.574 2.687 1.00 0.00 H new ATOM 716 N LEU A 48 0.253 -7.450 0.185 1.00 0.00 N ATOM 717 CA LEU A 48 1.189 -8.551 -0.012 1.00 0.00 C ATOM 718 C LEU A 48 0.857 -9.721 0.909 1.00 0.00 C ATOM 719 O LEU A 48 0.946 -10.881 0.511 1.00 0.00 O ATOM 720 CB LEU A 48 2.622 -8.080 0.240 1.00 0.00 C ATOM 721 CG LEU A 48 3.115 -6.929 -0.638 1.00 0.00 C ATOM 722 CD1 LEU A 48 4.486 -6.457 -0.180 1.00 0.00 C ATOM 723 CD2 LEU A 48 3.155 -7.353 -2.099 1.00 0.00 C ATOM 0 H LEU A 48 0.493 -6.826 0.955 1.00 0.00 H new ATOM 0 HA LEU A 48 1.100 -8.889 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.705 -7.776 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.292 -8.929 0.101 1.00 0.00 H new ATOM 0 HG LEU A 48 2.417 -6.098 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.820 -5.638 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.426 -6.113 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.196 -7.281 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.508 -6.522 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.831 -8.200 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.155 -7.641 -2.422 1.00 0.00 H new ATOM 735 N GLU A 49 0.471 -9.405 2.142 1.00 0.00 N ATOM 736 CA GLU A 49 0.124 -10.430 3.119 1.00 0.00 C ATOM 737 C GLU A 49 -1.021 -11.301 2.611 1.00 0.00 C ATOM 738 O GLU A 49 -1.923 -10.821 1.923 1.00 0.00 O ATOM 739 CB GLU A 49 -0.263 -9.786 4.452 1.00 0.00 C ATOM 740 CG GLU A 49 0.926 -9.284 5.253 1.00 0.00 C ATOM 741 CD GLU A 49 0.601 -9.091 6.722 1.00 0.00 C ATOM 742 OE1 GLU A 49 -0.240 -9.851 7.247 1.00 0.00 O ATOM 743 OE2 GLU A 49 1.186 -8.181 7.345 1.00 0.00 O ATOM 0 H GLU A 49 0.391 -8.448 2.487 1.00 0.00 H new ATOM 0 HA GLU A 49 0.999 -11.062 3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.939 -8.953 4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.813 -10.512 5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.749 -9.992 5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.269 -8.338 4.833 1.00 0.00 H new ATOM 750 N LYS A 50 -0.979 -12.584 2.954 1.00 0.00 N ATOM 751 CA LYS A 50 -2.012 -13.523 2.534 1.00 0.00 C ATOM 752 C LYS A 50 -3.037 -13.736 3.643 1.00 0.00 C ATOM 753 O LYS A 50 -2.978 -14.722 4.377 1.00 0.00 O ATOM 754 CB LYS A 50 -1.384 -14.862 2.141 1.00 0.00 C ATOM 755 CG LYS A 50 -2.398 -15.904 1.701 1.00 0.00 C ATOM 756 CD LYS A 50 -1.894 -17.314 1.954 1.00 0.00 C ATOM 757 CE LYS A 50 -0.809 -17.705 0.963 1.00 0.00 C ATOM 758 NZ LYS A 50 0.549 -17.343 1.457 1.00 0.00 N ATOM 0 H LYS A 50 -0.240 -12.997 3.522 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.522 -13.100 1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.672 -14.696 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.820 -15.252 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.335 -15.750 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.613 -15.778 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.504 -17.385 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.724 -18.017 1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.855 -18.778 0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.993 -17.210 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.249 -18.005 1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.781 -16.375 1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.566 -17.396 2.496 1.00 0.00 H new ATOM 772 N LYS A 51 -3.979 -12.805 3.759 1.00 0.00 N ATOM 773 CA LYS A 51 -5.019 -12.891 4.777 1.00 0.00 C ATOM 774 C LYS A 51 -6.225 -12.039 4.396 1.00 0.00 C ATOM 775 O LYS A 51 -6.156 -10.810 4.402 1.00 0.00 O ATOM 776 CB LYS A 51 -4.472 -12.442 6.134 1.00 0.00 C ATOM 777 CG LYS A 51 -5.171 -13.091 7.316 1.00 0.00 C ATOM 778 CD LYS A 51 -4.717 -14.527 7.513 1.00 0.00 C ATOM 779 CE LYS A 51 -3.418 -14.598 8.300 1.00 0.00 C ATOM 780 NZ LYS A 51 -3.654 -14.533 9.769 1.00 0.00 N ATOM 0 H LYS A 51 -4.043 -11.982 3.160 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.338 -13.931 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.407 -12.672 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.569 -11.359 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.968 -12.517 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.249 -13.068 7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.492 -15.086 8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.582 -15.003 6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.896 -15.524 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.767 -13.777 8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.744 -14.584 10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.129 -13.638 10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.254 -15.331 10.060 1.00 0.00 H new ATOM 794 N GLY A 52 -7.331 -12.700 4.065 1.00 0.00 N ATOM 795 CA GLY A 52 -8.536 -11.986 3.687 1.00 0.00 C ATOM 796 C GLY A 52 -9.309 -12.692 2.591 1.00 0.00 C ATOM 797 O GLY A 52 -8.791 -12.907 1.494 1.00 0.00 O ATOM 0 H GLY A 52 -7.413 -13.717 4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.176 -11.871 4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.270 -10.983 3.352 1.00 0.00 H new ATOM 801 N THR A 53 -10.552 -13.058 2.886 1.00 0.00 N ATOM 802 CA THR A 53 -11.397 -13.747 1.918 1.00 0.00 C ATOM 803 C THR A 53 -12.232 -12.757 1.114 1.00 0.00 C ATOM 804 O THR A 53 -13.408 -12.998 0.844 1.00 0.00 O ATOM 805 CB THR A 53 -12.337 -14.753 2.609 1.00 0.00 C ATOM 806 OG1 THR A 53 -11.723 -15.260 3.799 1.00 0.00 O ATOM 807 CG2 THR A 53 -12.675 -15.906 1.676 1.00 0.00 C ATOM 0 H THR A 53 -10.997 -12.889 3.788 1.00 0.00 H new ATOM 0 HA THR A 53 -10.731 -14.287 1.245 1.00 0.00 H new ATOM 0 HB THR A 53 -13.260 -14.235 2.870 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.328 -15.897 4.233 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.340 -16.604 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.169 -15.520 0.784 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.759 -16.422 1.389 1.00 0.00 H new ATOM 815 N GLY A 54 -11.617 -11.642 0.734 1.00 0.00 N ATOM 816 CA GLY A 54 -12.319 -10.632 -0.036 1.00 0.00 C ATOM 817 C GLY A 54 -13.642 -10.240 0.592 1.00 0.00 C ATOM 818 O GLY A 54 -14.698 -10.381 -0.027 1.00 0.00 O ATOM 0 H GLY A 54 -10.644 -11.420 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.689 -9.748 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.496 -11.006 -1.044 1.00 0.00 H new ATOM 822 N LEU A 55 -13.586 -9.748 1.825 1.00 0.00 N ATOM 823 CA LEU A 55 -14.790 -9.336 2.539 1.00 0.00 C ATOM 824 C LEU A 55 -15.648 -8.418 1.674 1.00 0.00 C ATOM 825 O LEU A 55 -16.795 -8.736 1.363 1.00 0.00 O ATOM 826 CB LEU A 55 -14.416 -8.626 3.841 1.00 0.00 C ATOM 827 CG LEU A 55 -15.550 -8.430 4.848 1.00 0.00 C ATOM 828 CD1 LEU A 55 -14.999 -8.360 6.264 1.00 0.00 C ATOM 829 CD2 LEU A 55 -16.343 -7.173 4.520 1.00 0.00 C ATOM 0 H LEU A 55 -12.721 -9.625 2.351 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.368 -10.230 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -13.621 -9.193 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.004 -7.648 3.593 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.221 -9.286 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.820 -8.220 6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.475 -9.287 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -14.306 -7.522 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.146 -7.049 5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.683 -6.306 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.769 -7.262 3.521 1.00 0.00 H new ATOM 841 N GLY A 56 -15.083 -7.278 1.288 1.00 0.00 N ATOM 842 CA GLY A 56 -15.810 -6.333 0.461 1.00 0.00 C ATOM 843 C GLY A 56 -14.974 -5.124 0.091 1.00 0.00 C ATOM 844 O GLY A 56 -15.476 -4.001 0.061 1.00 0.00 O ATOM 0 H GLY A 56 -14.135 -6.992 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.144 -6.832 -0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.704 -6.004 0.990 1.00 0.00 H new ATOM 848 N GLN A 57 -13.696 -5.354 -0.191 1.00 0.00 N ATOM 849 CA GLN A 57 -12.789 -4.273 -0.559 1.00 0.00 C ATOM 850 C GLN A 57 -11.687 -4.779 -1.484 1.00 0.00 C ATOM 851 O GLN A 57 -11.270 -5.933 -1.394 1.00 0.00 O ATOM 852 CB GLN A 57 -12.173 -3.648 0.694 1.00 0.00 C ATOM 853 CG GLN A 57 -13.194 -2.997 1.614 1.00 0.00 C ATOM 854 CD GLN A 57 -12.581 -2.505 2.910 1.00 0.00 C ATOM 855 OE1 GLN A 57 -11.899 -3.254 3.611 1.00 0.00 O ATOM 856 NE2 GLN A 57 -12.821 -1.241 3.237 1.00 0.00 N ATOM 0 H GLN A 57 -13.265 -6.278 -0.172 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.364 -3.514 -1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.636 -4.418 1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.438 -2.901 0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.662 -2.159 1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.984 -3.714 1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.392 -0.656 2.627 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.435 -0.855 4.099 1.00 0.00 H new ATOM 865 N GLN A 58 -11.220 -3.907 -2.372 1.00 0.00 N ATOM 866 CA GLN A 58 -10.166 -4.266 -3.313 1.00 0.00 C ATOM 867 C GLN A 58 -8.884 -4.644 -2.578 1.00 0.00 C ATOM 868 O GLN A 58 -8.810 -4.555 -1.352 1.00 0.00 O ATOM 869 CB GLN A 58 -9.895 -3.107 -4.274 1.00 0.00 C ATOM 870 CG GLN A 58 -9.211 -1.920 -3.617 1.00 0.00 C ATOM 871 CD GLN A 58 -9.425 -0.627 -4.380 1.00 0.00 C ATOM 872 OE1 GLN A 58 -9.842 -0.638 -5.538 1.00 0.00 O ATOM 873 NE2 GLN A 58 -9.140 0.497 -3.732 1.00 0.00 N ATOM 0 H GLN A 58 -11.555 -2.947 -2.459 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.503 -5.131 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.274 -3.465 -5.095 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.839 -2.777 -4.708 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.589 -1.805 -2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.142 -2.119 -3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.797 0.459 -2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.265 1.398 -4.194 1.00 0.00 H new ATOM 882 N LEU A 59 -7.877 -5.066 -3.335 1.00 0.00 N ATOM 883 CA LEU A 59 -6.597 -5.458 -2.755 1.00 0.00 C ATOM 884 C LEU A 59 -5.578 -4.330 -2.874 1.00 0.00 C ATOM 885 O LEU A 59 -4.737 -4.145 -1.994 1.00 0.00 O ATOM 886 CB LEU A 59 -6.066 -6.715 -3.446 1.00 0.00 C ATOM 887 CG LEU A 59 -5.803 -6.596 -4.947 1.00 0.00 C ATOM 888 CD1 LEU A 59 -4.387 -6.105 -5.204 1.00 0.00 C ATOM 889 CD2 LEU A 59 -6.039 -7.932 -5.638 1.00 0.00 C ATOM 0 H LEU A 59 -7.922 -5.145 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.754 -5.671 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.137 -7.009 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.780 -7.523 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.499 -5.867 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.218 -6.027 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.252 -5.127 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.674 -6.809 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.847 -7.828 -6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.367 -8.682 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.072 -8.244 -5.484 1.00 0.00 H new ATOM 901 N GLN A 60 -5.660 -3.577 -3.966 1.00 0.00 N ATOM 902 CA GLN A 60 -4.745 -2.466 -4.198 1.00 0.00 C ATOM 903 C GLN A 60 -5.510 -1.160 -4.382 1.00 0.00 C ATOM 904 O GLN A 60 -6.524 -1.115 -5.077 1.00 0.00 O ATOM 905 CB GLN A 60 -3.877 -2.740 -5.428 1.00 0.00 C ATOM 906 CG GLN A 60 -4.658 -2.753 -6.732 1.00 0.00 C ATOM 907 CD GLN A 60 -3.781 -3.042 -7.935 1.00 0.00 C ATOM 908 OE1 GLN A 60 -3.331 -4.171 -8.132 1.00 0.00 O ATOM 909 NE2 GLN A 60 -3.533 -2.020 -8.746 1.00 0.00 N ATOM 0 H GLN A 60 -6.350 -3.716 -4.704 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.102 -2.369 -3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.097 -1.981 -5.489 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.378 -3.701 -5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.445 -3.505 -6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.148 -1.789 -6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.927 -1.101 -8.544 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.949 -2.154 -9.571 1.00 0.00 H new ATOM 918 N GLY A 61 -5.018 -0.097 -3.753 1.00 0.00 N ATOM 919 CA GLY A 61 -5.668 1.196 -3.860 1.00 0.00 C ATOM 920 C GLY A 61 -4.751 2.340 -3.477 1.00 0.00 C ATOM 921 O GLY A 61 -3.536 2.165 -3.379 1.00 0.00 O ATOM 0 H GLY A 61 -4.180 -0.108 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.016 1.340 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.549 1.210 -3.218 1.00 0.00 H new ATOM 925 N TYR A 62 -5.332 3.515 -3.261 1.00 0.00 N ATOM 926 CA TYR A 62 -4.558 4.694 -2.891 1.00 0.00 C ATOM 927 C TYR A 62 -4.259 4.701 -1.395 1.00 0.00 C ATOM 928 O TYR A 62 -5.166 4.597 -0.569 1.00 0.00 O ATOM 929 CB TYR A 62 -5.312 5.967 -3.278 1.00 0.00 C ATOM 930 CG TYR A 62 -5.388 6.196 -4.771 1.00 0.00 C ATOM 931 CD1 TYR A 62 -4.237 6.234 -5.547 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.612 6.372 -5.404 1.00 0.00 C ATOM 933 CE1 TYR A 62 -4.303 6.444 -6.911 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.687 6.580 -6.768 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.530 6.616 -7.517 1.00 0.00 C ATOM 936 OH TYR A 62 -5.599 6.823 -8.875 1.00 0.00 O ATOM 0 H TYR A 62 -6.336 3.676 -3.336 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.612 4.662 -3.432 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.323 5.917 -2.875 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.825 6.824 -2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.275 6.097 -5.077 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.520 6.346 -4.820 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.398 6.473 -7.500 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.647 6.714 -7.245 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.536 6.924 -9.143 1.00 0.00 H new ATOM 946 N ILE A 63 -2.980 4.826 -1.054 1.00 0.00 N ATOM 947 CA ILE A 63 -2.561 4.849 0.341 1.00 0.00 C ATOM 948 C ILE A 63 -1.548 5.961 0.593 1.00 0.00 C ATOM 949 O ILE A 63 -0.707 6.271 -0.251 1.00 0.00 O ATOM 950 CB ILE A 63 -1.944 3.503 0.766 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.676 3.221 -0.043 1.00 0.00 C ATOM 952 CG2 ILE A 63 -2.953 2.378 0.589 1.00 0.00 C ATOM 953 CD1 ILE A 63 0.236 2.198 0.600 1.00 0.00 C ATOM 0 H ILE A 63 -2.217 4.913 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.456 5.034 0.936 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.675 3.560 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.958 2.871 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.126 4.152 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.502 1.434 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.831 2.576 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.250 2.317 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.114 2.048 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.548 2.555 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.297 1.254 0.710 1.00 0.00 H new ATOM 965 N PRO A 64 -1.628 6.576 1.782 1.00 0.00 N ATOM 966 CA PRO A 64 -0.725 7.663 2.174 1.00 0.00 C ATOM 967 C PRO A 64 0.699 7.174 2.412 1.00 0.00 C ATOM 968 O PRO A 64 0.916 6.162 3.078 1.00 0.00 O ATOM 969 CB PRO A 64 -1.338 8.181 3.477 1.00 0.00 C ATOM 970 CG PRO A 64 -2.096 7.022 4.027 1.00 0.00 C ATOM 971 CD PRO A 64 -2.606 6.259 2.836 1.00 0.00 C ATOM 0 HA PRO A 64 -0.639 8.422 1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.567 8.515 4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.994 9.032 3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.455 6.395 4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.919 7.358 4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.650 5.188 3.034 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.612 6.574 2.558 1.00 0.00 H new ATOM 979 N SER A 65 1.669 7.901 1.864 1.00 0.00 N ATOM 980 CA SER A 65 3.073 7.539 2.015 1.00 0.00 C ATOM 981 C SER A 65 3.558 7.824 3.433 1.00 0.00 C ATOM 982 O SER A 65 4.164 6.968 4.077 1.00 0.00 O ATOM 983 CB SER A 65 3.930 8.307 1.007 1.00 0.00 C ATOM 984 OG SER A 65 5.308 8.196 1.319 1.00 0.00 O ATOM 0 H SER A 65 1.508 8.743 1.312 1.00 0.00 H new ATOM 0 HA SER A 65 3.170 6.470 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.749 7.922 0.003 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.638 9.357 1.003 1.00 0.00 H new ATOM 0 HG SER A 65 5.752 7.637 0.647 1.00 0.00 H new ATOM 990 N ASN A 66 3.287 9.033 3.913 1.00 0.00 N ATOM 991 CA ASN A 66 3.696 9.432 5.255 1.00 0.00 C ATOM 992 C ASN A 66 3.368 8.342 6.270 1.00 0.00 C ATOM 993 O ASN A 66 4.062 8.186 7.275 1.00 0.00 O ATOM 994 CB ASN A 66 3.008 10.740 5.652 1.00 0.00 C ATOM 995 CG ASN A 66 3.668 11.954 5.028 1.00 0.00 C ATOM 996 OD1 ASN A 66 4.729 12.394 5.471 1.00 0.00 O ATOM 997 ND2 ASN A 66 3.041 12.501 3.993 1.00 0.00 N ATOM 0 H ASN A 66 2.786 9.753 3.393 1.00 0.00 H new ATOM 0 HA ASN A 66 4.775 9.584 5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.962 10.703 5.349 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.022 10.840 6.737 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.437 13.320 3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.163 12.102 3.660 1.00 0.00 H new ATOM 1004 N TYR A 67 2.306 7.591 6.001 1.00 0.00 N ATOM 1005 CA TYR A 67 1.884 6.517 6.892 1.00 0.00 C ATOM 1006 C TYR A 67 2.849 5.338 6.819 1.00 0.00 C ATOM 1007 O TYR A 67 3.089 4.654 7.814 1.00 0.00 O ATOM 1008 CB TYR A 67 0.470 6.055 6.535 1.00 0.00 C ATOM 1009 CG TYR A 67 -0.618 6.908 7.147 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -0.718 8.262 6.848 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -1.546 6.361 8.024 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -1.710 9.045 7.406 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -2.543 7.136 8.585 1.00 0.00 C ATOM 1014 CZ TYR A 67 -2.620 8.478 8.273 1.00 0.00 C ATOM 1015 OH TYR A 67 -3.610 9.254 8.831 1.00 0.00 O ATOM 0 H TYR A 67 1.722 7.706 5.173 1.00 0.00 H new ATOM 0 HA TYR A 67 1.887 6.903 7.911 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.358 6.061 5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.340 5.024 6.864 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.008 8.709 6.168 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.487 5.311 8.272 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.772 10.096 7.164 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.258 6.694 9.264 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.167 8.701 9.418 1.00 0.00 H new ATOM 1025 N VAL A 68 3.402 5.106 5.632 1.00 0.00 N ATOM 1026 CA VAL A 68 4.343 4.012 5.428 1.00 0.00 C ATOM 1027 C VAL A 68 5.762 4.536 5.235 1.00 0.00 C ATOM 1028 O VAL A 68 5.994 5.744 5.241 1.00 0.00 O ATOM 1029 CB VAL A 68 3.953 3.157 4.208 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.485 2.766 4.277 1.00 0.00 C ATOM 1031 CG2 VAL A 68 4.254 3.903 2.916 1.00 0.00 C ATOM 0 H VAL A 68 3.214 5.662 4.798 1.00 0.00 H new ATOM 0 HA VAL A 68 4.307 3.392 6.324 1.00 0.00 H new ATOM 0 HB VAL A 68 4.549 2.244 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.228 2.162 3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.304 2.190 5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.869 3.665 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.972 3.284 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.686 4.833 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.320 4.127 2.865 1.00 0.00 H new ATOM 1041 N ALA A 69 6.707 3.618 5.062 1.00 0.00 N ATOM 1042 CA ALA A 69 8.103 3.988 4.864 1.00 0.00 C ATOM 1043 C ALA A 69 8.895 2.836 4.254 1.00 0.00 C ATOM 1044 O ALA A 69 8.360 1.748 4.042 1.00 0.00 O ATOM 1045 CB ALA A 69 8.727 4.419 6.183 1.00 0.00 C ATOM 0 H ALA A 69 6.531 2.613 5.055 1.00 0.00 H new ATOM 0 HA ALA A 69 8.136 4.826 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.769 4.692 6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.184 5.277 6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.675 3.596 6.896 1.00 0.00 H new ATOM 1051 N GLU A 70 10.171 3.083 3.974 1.00 0.00 N ATOM 1052 CA GLU A 70 11.034 2.066 3.387 1.00 0.00 C ATOM 1053 C GLU A 70 11.484 1.059 4.442 1.00 0.00 C ATOM 1054 O GLU A 70 12.321 1.366 5.291 1.00 0.00 O ATOM 1055 CB GLU A 70 12.255 2.717 2.733 1.00 0.00 C ATOM 1056 CG GLU A 70 12.044 3.077 1.273 1.00 0.00 C ATOM 1057 CD GLU A 70 13.290 3.653 0.628 1.00 0.00 C ATOM 1058 OE1 GLU A 70 14.403 3.227 1.000 1.00 0.00 O ATOM 1059 OE2 GLU A 70 13.151 4.532 -0.249 1.00 0.00 O ATOM 0 H GLU A 70 10.629 3.978 4.144 1.00 0.00 H new ATOM 0 HA GLU A 70 10.462 1.536 2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.516 3.619 3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.104 2.038 2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.734 2.188 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.232 3.800 1.195 1.00 0.00 H new ATOM 1066 N ASP A 71 10.922 -0.143 4.381 1.00 0.00 N ATOM 1067 CA ASP A 71 11.265 -1.196 5.330 1.00 0.00 C ATOM 1068 C ASP A 71 12.379 -2.081 4.781 1.00 0.00 C ATOM 1069 O ASP A 71 12.704 -2.023 3.595 1.00 0.00 O ATOM 1070 CB ASP A 71 10.033 -2.044 5.650 1.00 0.00 C ATOM 1071 CG ASP A 71 10.076 -2.622 7.051 1.00 0.00 C ATOM 1072 OD1 ASP A 71 10.759 -2.033 7.915 1.00 0.00 O ATOM 1073 OD2 ASP A 71 9.427 -3.664 7.284 1.00 0.00 O ATOM 0 H ASP A 71 10.227 -0.413 3.685 1.00 0.00 H new ATOM 0 HA ASP A 71 11.620 -0.724 6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.137 -1.434 5.539 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.957 -2.856 4.927 1.00 0.00 H new ATOM 1078 N SER A 72 12.961 -2.900 5.651 1.00 0.00 N ATOM 1079 CA SER A 72 14.042 -3.795 5.254 1.00 0.00 C ATOM 1080 C SER A 72 13.542 -4.848 4.270 1.00 0.00 C ATOM 1081 O SER A 72 14.106 -5.023 3.190 1.00 0.00 O ATOM 1082 CB SER A 72 14.647 -4.475 6.483 1.00 0.00 C ATOM 1083 OG SER A 72 15.818 -5.197 6.142 1.00 0.00 O ATOM 0 H SER A 72 12.702 -2.962 6.636 1.00 0.00 H new ATOM 0 HA SER A 72 14.811 -3.200 4.762 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.885 -3.725 7.237 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.915 -5.151 6.926 1.00 0.00 H new ATOM 0 HG SER A 72 16.186 -5.621 6.945 1.00 0.00 H new ATOM 1089 N GLY A 73 12.479 -5.549 4.652 1.00 0.00 N ATOM 1090 CA GLY A 73 11.920 -6.577 3.794 1.00 0.00 C ATOM 1091 C GLY A 73 12.520 -7.943 4.060 1.00 0.00 C ATOM 1092 O GLY A 73 13.410 -8.102 4.895 1.00 0.00 O ATOM 0 H GLY A 73 11.995 -5.423 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.841 -6.622 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.088 -6.307 2.751 1.00 0.00 H new ATOM 1096 N PRO A 74 12.026 -8.961 3.339 1.00 0.00 N ATOM 1097 CA PRO A 74 12.503 -10.339 3.485 1.00 0.00 C ATOM 1098 C PRO A 74 13.921 -10.521 2.952 1.00 0.00 C ATOM 1099 O PRO A 74 14.616 -11.468 3.321 1.00 0.00 O ATOM 1100 CB PRO A 74 11.510 -11.149 2.648 1.00 0.00 C ATOM 1101 CG PRO A 74 10.986 -10.183 1.642 1.00 0.00 C ATOM 1102 CD PRO A 74 10.964 -8.844 2.326 1.00 0.00 C ATOM 0 HA PRO A 74 12.550 -10.645 4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.997 -11.997 2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.707 -11.552 3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.621 -10.159 0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.988 -10.468 1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.164 -8.032 1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.995 -8.641 2.782 1.00 0.00 H new ATOM 1110 N SER A 75 14.343 -9.608 2.084 1.00 0.00 N ATOM 1111 CA SER A 75 15.677 -9.670 1.498 1.00 0.00 C ATOM 1112 C SER A 75 16.747 -9.414 2.555 1.00 0.00 C ATOM 1113 O SER A 75 17.208 -8.285 2.727 1.00 0.00 O ATOM 1114 CB SER A 75 15.808 -8.649 0.366 1.00 0.00 C ATOM 1115 OG SER A 75 14.698 -8.717 -0.512 1.00 0.00 O ATOM 0 H SER A 75 13.781 -8.817 1.771 1.00 0.00 H new ATOM 0 HA SER A 75 15.823 -10.671 1.093 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.884 -7.645 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 75 16.727 -8.833 -0.190 1.00 0.00 H new ATOM 0 HG SER A 75 14.804 -8.054 -1.226 1.00 0.00 H new ATOM 1121 N SER A 76 17.138 -10.470 3.261 1.00 0.00 N ATOM 1122 CA SER A 76 18.151 -10.361 4.304 1.00 0.00 C ATOM 1123 C SER A 76 19.436 -9.754 3.751 1.00 0.00 C ATOM 1124 O SER A 76 20.141 -10.379 2.960 1.00 0.00 O ATOM 1125 CB SER A 76 18.441 -11.736 4.909 1.00 0.00 C ATOM 1126 OG SER A 76 19.226 -11.621 6.083 1.00 0.00 O ATOM 0 H SER A 76 16.768 -11.411 3.129 1.00 0.00 H new ATOM 0 HA SER A 76 17.766 -9.704 5.084 1.00 0.00 H new ATOM 0 HB2 SER A 76 17.503 -12.239 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.962 -12.356 4.179 1.00 0.00 H new ATOM 0 HG SER A 76 19.396 -12.513 6.451 1.00 0.00 H new ATOM 1132 N GLY A 77 19.736 -8.529 4.175 1.00 0.00 N ATOM 1133 CA GLY A 77 20.936 -7.857 3.713 1.00 0.00 C ATOM 1134 C GLY A 77 21.091 -6.473 4.311 1.00 0.00 C ATOM 1135 O GLY A 77 22.208 -5.982 4.474 1.00 0.00 O ATOM 0 H GLY A 77 19.169 -7.991 4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.808 -8.460 3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 77 20.910 -7.779 2.626 1.00 0.00 H new TER 1139 GLY A 77