USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 505 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+ -105:sc= 0.087 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -2:sc= 1.01 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 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -52:sc= -0.822 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc=-0.00692 X(o=-0.0069,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 113:sc= -0.135 USER MOD Single : A 36 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.4) USER MOD Single : A 37 GLN : amide:sc= -0.924 X(o=-0.92,f=-1.3) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -138:sc= -0.177 (180deg=-0.822) USER MOD Single : A 48 HIS : no HD1:sc= -0.0395 X(o=-0.04,f=-0.0033) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 51 SER OG : rot 39:sc= 0.944 USER MOD Single : A 57 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.9!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.135 K(o=-0.14,f=-0.7) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.527 -4.821 13.461 1.00 0.00 N ATOM 2 CA GLY A 1 10.500 -4.158 14.242 1.00 0.00 C ATOM 3 C GLY A 1 10.036 -2.861 13.608 1.00 0.00 C ATOM 4 O GLY A 1 10.682 -2.343 12.697 1.00 0.00 O ATOM 0 H1 GLY A 1 11.115 -5.639 12.968 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.916 -4.156 12.763 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.288 -5.145 14.092 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.648 -4.827 14.358 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.883 -3.953 15.242 1.00 0.00 H new ATOM 8 N SER A 2 8.914 -2.337 14.089 1.00 0.00 N ATOM 9 CA SER A 2 8.361 -1.096 13.559 1.00 0.00 C ATOM 10 C SER A 2 8.851 0.104 14.364 1.00 0.00 C ATOM 11 O SER A 2 8.053 0.892 14.872 1.00 0.00 O ATOM 12 CB SER A 2 6.832 -1.146 13.576 1.00 0.00 C ATOM 13 OG SER A 2 6.283 -0.275 12.602 1.00 0.00 O ATOM 0 H SER A 2 8.370 -2.752 14.845 1.00 0.00 H new ATOM 0 HA SER A 2 8.702 -0.985 12.530 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.496 -2.166 13.387 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.467 -0.868 14.565 1.00 0.00 H new ATOM 0 HG SER A 2 5.305 -0.326 12.632 1.00 0.00 H new ATOM 19 N SER A 3 10.169 0.235 14.476 1.00 0.00 N ATOM 20 CA SER A 3 10.767 1.336 15.222 1.00 0.00 C ATOM 21 C SER A 3 12.244 1.490 14.874 1.00 0.00 C ATOM 22 O SER A 3 13.064 0.635 15.206 1.00 0.00 O ATOM 23 CB SER A 3 10.607 1.107 16.726 1.00 0.00 C ATOM 24 OG SER A 3 9.257 1.263 17.126 1.00 0.00 O ATOM 0 H SER A 3 10.843 -0.408 14.060 1.00 0.00 H new ATOM 0 HA SER A 3 10.249 2.254 14.944 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.952 0.105 16.983 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.235 1.811 17.273 1.00 0.00 H new ATOM 0 HG SER A 3 8.713 1.513 16.350 1.00 0.00 H new ATOM 30 N GLY A 4 12.576 2.587 14.200 1.00 0.00 N ATOM 31 CA GLY A 4 13.954 2.834 13.817 1.00 0.00 C ATOM 32 C GLY A 4 14.126 2.947 12.315 1.00 0.00 C ATOM 33 O GLY A 4 14.170 4.049 11.769 1.00 0.00 O ATOM 0 H GLY A 4 11.915 3.309 13.912 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.300 3.753 14.290 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.583 2.026 14.192 1.00 0.00 H new ATOM 37 N SER A 5 14.227 1.803 11.645 1.00 0.00 N ATOM 38 CA SER A 5 14.401 1.778 10.198 1.00 0.00 C ATOM 39 C SER A 5 13.055 1.868 9.486 1.00 0.00 C ATOM 40 O SER A 5 12.816 2.784 8.699 1.00 0.00 O ATOM 41 CB SER A 5 15.130 0.502 9.773 1.00 0.00 C ATOM 42 OG SER A 5 16.367 0.371 10.453 1.00 0.00 O ATOM 0 H SER A 5 14.191 0.882 12.082 1.00 0.00 H new ATOM 0 HA SER A 5 15.001 2.643 9.915 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.503 -0.365 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.303 0.519 8.697 1.00 0.00 H new ATOM 0 HG SER A 5 16.813 -0.453 10.165 1.00 0.00 H new ATOM 48 N SER A 6 12.177 0.911 9.770 1.00 0.00 N ATOM 49 CA SER A 6 10.855 0.879 9.156 1.00 0.00 C ATOM 50 C SER A 6 9.959 1.969 9.737 1.00 0.00 C ATOM 51 O SER A 6 10.058 2.307 10.916 1.00 0.00 O ATOM 52 CB SER A 6 10.207 -0.491 9.360 1.00 0.00 C ATOM 53 OG SER A 6 8.974 -0.580 8.668 1.00 0.00 O ATOM 0 H SER A 6 12.358 0.147 10.422 1.00 0.00 H new ATOM 0 HA SER A 6 10.974 1.061 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.882 -1.272 9.009 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.044 -0.665 10.424 1.00 0.00 H new ATOM 0 HG SER A 6 8.581 -1.466 8.813 1.00 0.00 H new ATOM 59 N GLY A 7 9.084 2.517 8.899 1.00 0.00 N ATOM 60 CA GLY A 7 8.183 3.563 9.346 1.00 0.00 C ATOM 61 C GLY A 7 6.759 3.342 8.876 1.00 0.00 C ATOM 62 O GLY A 7 6.024 2.518 9.420 1.00 0.00 O ATOM 0 H GLY A 7 8.983 2.255 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.199 3.612 10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.538 4.526 8.979 1.00 0.00 H new ATOM 66 N PRO A 8 6.351 4.092 7.842 1.00 0.00 N ATOM 67 CA PRO A 8 5.002 3.993 7.276 1.00 0.00 C ATOM 68 C PRO A 8 4.778 2.678 6.537 1.00 0.00 C ATOM 69 O PRO A 8 5.350 2.449 5.471 1.00 0.00 O ATOM 70 CB PRO A 8 4.938 5.171 6.301 1.00 0.00 C ATOM 71 CG PRO A 8 6.357 5.430 5.927 1.00 0.00 C ATOM 72 CD PRO A 8 7.174 5.094 7.144 1.00 0.00 C ATOM 0 HA PRO A 8 4.234 4.019 8.049 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.336 4.928 5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.485 6.046 6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.654 4.817 5.076 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.500 6.471 5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.151 4.694 6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.350 5.972 7.765 1.00 0.00 H new ATOM 80 N CYS A 9 3.944 1.817 7.110 1.00 0.00 N ATOM 81 CA CYS A 9 3.645 0.524 6.506 1.00 0.00 C ATOM 82 C CYS A 9 2.169 0.177 6.667 1.00 0.00 C ATOM 83 O CYS A 9 1.496 0.685 7.565 1.00 0.00 O ATOM 84 CB CYS A 9 4.510 -0.569 7.135 1.00 0.00 C ATOM 85 SG CYS A 9 4.071 -0.966 8.844 1.00 0.00 S ATOM 0 H CYS A 9 3.463 1.991 7.992 1.00 0.00 H new ATOM 0 HA CYS A 9 3.871 0.588 5.441 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.430 -1.473 6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.553 -0.255 7.103 1.00 0.00 H new ATOM 0 HG CYS A 9 4.857 -1.902 9.288 1.00 0.00 H new ATOM 91 N CYS A 10 1.671 -0.690 5.792 1.00 0.00 N ATOM 92 CA CYS A 10 0.273 -1.104 5.836 1.00 0.00 C ATOM 93 C CYS A 10 0.151 -2.620 5.723 1.00 0.00 C ATOM 94 O CYS A 10 1.018 -3.282 5.152 1.00 0.00 O ATOM 95 CB CYS A 10 -0.514 -0.432 4.710 1.00 0.00 C ATOM 96 SG CYS A 10 -0.115 -1.050 3.059 1.00 0.00 S ATOM 0 H CYS A 10 2.215 -1.120 5.044 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.142 -0.795 6.795 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.579 -0.574 4.891 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.325 0.641 4.740 1.00 0.00 H new ATOM 0 HG CYS A 10 1.172 -1.011 2.880 1.00 0.00 H new ATOM 102 N ARG A 11 -0.929 -3.164 6.273 1.00 0.00 N ATOM 103 CA ARG A 11 -1.164 -4.603 6.237 1.00 0.00 C ATOM 104 C ARG A 11 -2.291 -4.946 5.268 1.00 0.00 C ATOM 105 O ARG A 11 -3.238 -4.178 5.105 1.00 0.00 O ATOM 106 CB ARG A 11 -1.503 -5.121 7.636 1.00 0.00 C ATOM 107 CG ARG A 11 -1.670 -6.630 7.703 1.00 0.00 C ATOM 108 CD ARG A 11 -1.534 -7.143 9.128 1.00 0.00 C ATOM 109 NE ARG A 11 -2.305 -8.364 9.346 1.00 0.00 N ATOM 110 CZ ARG A 11 -2.473 -8.924 10.539 1.00 0.00 C ATOM 111 NH1 ARG A 11 -1.928 -8.374 11.615 1.00 0.00 N ATOM 112 NH2 ARG A 11 -3.189 -10.035 10.657 1.00 0.00 N ATOM 0 H ARG A 11 -1.656 -2.630 6.749 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.251 -5.086 5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.715 -4.820 8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.423 -4.647 7.977 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.647 -6.907 7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.923 -7.108 7.070 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.483 -7.334 9.346 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.869 -6.374 9.824 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.738 -8.811 8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.378 -7.519 11.528 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.058 -8.806 12.530 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.611 -10.460 9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.317 -10.464 11.573 1.00 0.00 H new ATOM 126 N ALA A 12 -2.181 -6.105 4.627 1.00 0.00 N ATOM 127 CA ALA A 12 -3.191 -6.550 3.676 1.00 0.00 C ATOM 128 C ALA A 12 -4.265 -7.384 4.365 1.00 0.00 C ATOM 129 O ALA A 12 -3.961 -8.251 5.186 1.00 0.00 O ATOM 130 CB ALA A 12 -2.543 -7.346 2.552 1.00 0.00 C ATOM 0 H ALA A 12 -1.402 -6.752 4.749 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.670 -5.667 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.309 -7.672 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.818 -6.719 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.037 -8.218 2.968 1.00 0.00 H new ATOM 136 N LEU A 13 -5.522 -7.117 4.029 1.00 0.00 N ATOM 137 CA LEU A 13 -6.643 -7.843 4.617 1.00 0.00 C ATOM 138 C LEU A 13 -7.080 -8.993 3.714 1.00 0.00 C ATOM 139 O LEU A 13 -7.594 -10.006 4.188 1.00 0.00 O ATOM 140 CB LEU A 13 -7.818 -6.895 4.861 1.00 0.00 C ATOM 141 CG LEU A 13 -7.678 -5.944 6.050 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.682 -4.807 5.945 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.857 -6.697 7.360 1.00 0.00 C ATOM 0 H LEU A 13 -5.791 -6.403 3.352 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.316 -8.258 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.971 -6.299 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.718 -7.493 5.004 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.675 -5.518 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.568 -4.140 6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.506 -4.250 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.693 -5.214 5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.754 -6.004 8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.847 -7.152 7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.098 -7.475 7.439 1.00 0.00 H new ATOM 155 N TYR A 14 -6.871 -8.829 2.413 1.00 0.00 N ATOM 156 CA TYR A 14 -7.244 -9.853 1.444 1.00 0.00 C ATOM 157 C TYR A 14 -6.215 -9.940 0.321 1.00 0.00 C ATOM 158 O TYR A 14 -5.234 -9.197 0.303 1.00 0.00 O ATOM 159 CB TYR A 14 -8.627 -9.554 0.862 1.00 0.00 C ATOM 160 CG TYR A 14 -9.743 -9.639 1.879 1.00 0.00 C ATOM 161 CD1 TYR A 14 -10.062 -8.549 2.681 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.477 -10.807 2.039 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.080 -8.622 3.612 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.498 -10.888 2.966 1.00 0.00 C ATOM 165 CZ TYR A 14 -11.795 -9.793 3.750 1.00 0.00 C ATOM 166 OH TYR A 14 -12.811 -9.870 4.676 1.00 0.00 O ATOM 0 H TYR A 14 -6.445 -7.997 2.005 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.274 -10.813 1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.620 -8.555 0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.830 -10.255 0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.505 -7.630 2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.246 -11.667 1.428 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.315 -7.767 4.228 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.060 -11.803 3.076 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.214 -10.763 4.646 1.00 0.00 H new ATOM 176 N ASP A 15 -6.448 -10.854 -0.615 1.00 0.00 N ATOM 177 CA ASP A 15 -5.543 -11.040 -1.744 1.00 0.00 C ATOM 178 C ASP A 15 -6.020 -10.248 -2.958 1.00 0.00 C ATOM 179 O ASP A 15 -7.222 -10.105 -3.186 1.00 0.00 O ATOM 180 CB ASP A 15 -5.433 -12.523 -2.098 1.00 0.00 C ATOM 181 CG ASP A 15 -6.527 -12.976 -3.044 1.00 0.00 C ATOM 182 OD1 ASP A 15 -7.715 -12.868 -2.673 1.00 0.00 O ATOM 183 OD2 ASP A 15 -6.196 -13.436 -4.157 1.00 0.00 O ATOM 0 H ASP A 15 -7.255 -11.477 -0.614 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.559 -10.670 -1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.461 -12.713 -2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.478 -13.116 -1.184 1.00 0.00 H new ATOM 188 N PHE A 16 -5.071 -9.736 -3.734 1.00 0.00 N ATOM 189 CA PHE A 16 -5.394 -8.957 -4.923 1.00 0.00 C ATOM 190 C PHE A 16 -4.403 -9.245 -6.048 1.00 0.00 C ATOM 191 O PHE A 16 -3.246 -9.579 -5.798 1.00 0.00 O ATOM 192 CB PHE A 16 -5.391 -7.462 -4.597 1.00 0.00 C ATOM 193 CG PHE A 16 -5.653 -6.587 -5.789 1.00 0.00 C ATOM 194 CD1 PHE A 16 -6.885 -6.608 -6.423 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.668 -5.743 -6.276 1.00 0.00 C ATOM 196 CE1 PHE A 16 -7.128 -5.805 -7.521 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.906 -4.937 -7.373 1.00 0.00 C ATOM 198 CZ PHE A 16 -6.138 -4.967 -7.996 1.00 0.00 C ATOM 0 H PHE A 16 -4.072 -9.847 -3.561 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.390 -9.247 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.147 -7.263 -3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.427 -7.195 -4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.664 -7.259 -6.055 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.703 -5.715 -5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.092 -5.833 -8.008 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.129 -4.284 -7.743 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.327 -4.337 -8.852 1.00 0.00 H new ATOM 208 N GLU A 17 -4.868 -9.113 -7.286 1.00 0.00 N ATOM 209 CA GLU A 17 -4.023 -9.361 -8.449 1.00 0.00 C ATOM 210 C GLU A 17 -4.168 -8.241 -9.475 1.00 0.00 C ATOM 211 O GLU A 17 -5.252 -7.698 -9.690 1.00 0.00 O ATOM 212 CB GLU A 17 -4.380 -10.704 -9.089 1.00 0.00 C ATOM 213 CG GLU A 17 -3.950 -11.905 -8.264 1.00 0.00 C ATOM 214 CD GLU A 17 -2.450 -12.126 -8.293 1.00 0.00 C ATOM 215 OE1 GLU A 17 -1.950 -12.673 -9.298 1.00 0.00 O ATOM 216 OE2 GLU A 17 -1.777 -11.752 -7.310 1.00 0.00 O ATOM 0 H GLU A 17 -5.824 -8.836 -7.510 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.986 -9.391 -8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.458 -10.748 -9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.914 -10.764 -10.072 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.273 -11.767 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.452 -12.797 -8.639 1.00 0.00 H new ATOM 223 N PRO A 18 -3.050 -7.886 -10.124 1.00 0.00 N ATOM 224 CA PRO A 18 -3.025 -6.828 -11.139 1.00 0.00 C ATOM 225 C PRO A 18 -3.755 -7.232 -12.415 1.00 0.00 C ATOM 226 O PRO A 18 -3.546 -8.324 -12.941 1.00 0.00 O ATOM 227 CB PRO A 18 -1.532 -6.635 -11.415 1.00 0.00 C ATOM 228 CG PRO A 18 -0.909 -7.941 -11.059 1.00 0.00 C ATOM 229 CD PRO A 18 -1.723 -8.490 -9.919 1.00 0.00 C ATOM 0 HA PRO A 18 -3.529 -5.924 -10.797 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.352 -6.382 -12.460 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.120 -5.823 -10.815 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.918 -8.623 -11.909 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.133 -7.810 -10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.769 -9.579 -9.946 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.300 -8.213 -8.953 1.00 0.00 H new ATOM 237 N GLU A 19 -4.611 -6.342 -12.908 1.00 0.00 N ATOM 238 CA GLU A 19 -5.372 -6.608 -14.124 1.00 0.00 C ATOM 239 C GLU A 19 -4.528 -6.332 -15.365 1.00 0.00 C ATOM 240 O GLU A 19 -4.624 -7.044 -16.364 1.00 0.00 O ATOM 241 CB GLU A 19 -6.640 -5.752 -14.156 1.00 0.00 C ATOM 242 CG GLU A 19 -7.513 -6.003 -15.374 1.00 0.00 C ATOM 243 CD GLU A 19 -8.586 -4.945 -15.550 1.00 0.00 C ATOM 244 OE1 GLU A 19 -8.240 -3.805 -15.924 1.00 0.00 O ATOM 245 OE2 GLU A 19 -9.772 -5.259 -15.315 1.00 0.00 O ATOM 0 H GLU A 19 -4.795 -5.432 -12.485 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.653 -7.661 -14.123 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.223 -5.947 -13.256 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.358 -4.699 -14.132 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.887 -6.032 -16.266 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.984 -6.982 -15.283 1.00 0.00 H new ATOM 252 N ASN A 20 -3.702 -5.294 -15.293 1.00 0.00 N ATOM 253 CA ASN A 20 -2.842 -4.923 -16.411 1.00 0.00 C ATOM 254 C ASN A 20 -1.418 -4.653 -15.935 1.00 0.00 C ATOM 255 O ASN A 20 -1.148 -4.630 -14.735 1.00 0.00 O ATOM 256 CB ASN A 20 -3.398 -3.686 -17.120 1.00 0.00 C ATOM 257 CG ASN A 20 -4.695 -3.972 -17.851 1.00 0.00 C ATOM 258 OD1 ASN A 20 -4.728 -4.762 -18.794 1.00 0.00 O ATOM 259 ND2 ASN A 20 -5.773 -3.329 -17.417 1.00 0.00 N ATOM 0 H ASN A 20 -3.610 -4.695 -14.473 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.820 -5.757 -17.113 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.563 -2.895 -16.388 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.659 -3.314 -17.830 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.674 -3.482 -17.869 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.699 -2.683 -16.631 1.00 0.00 H new ATOM 266 N GLU A 21 -0.511 -4.449 -16.885 1.00 0.00 N ATOM 267 CA GLU A 21 0.886 -4.181 -16.562 1.00 0.00 C ATOM 268 C GLU A 21 1.024 -2.871 -15.791 1.00 0.00 C ATOM 269 O GLU A 21 0.329 -1.896 -16.072 1.00 0.00 O ATOM 270 CB GLU A 21 1.726 -4.124 -17.840 1.00 0.00 C ATOM 271 CG GLU A 21 1.251 -3.077 -18.834 1.00 0.00 C ATOM 272 CD GLU A 21 2.170 -2.954 -20.034 1.00 0.00 C ATOM 273 OE1 GLU A 21 3.377 -2.700 -19.833 1.00 0.00 O ATOM 274 OE2 GLU A 21 1.684 -3.110 -21.173 1.00 0.00 O ATOM 0 H GLU A 21 -0.718 -4.464 -17.884 1.00 0.00 H new ATOM 0 HA GLU A 21 1.249 -4.993 -15.933 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.763 -3.917 -17.574 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.709 -5.103 -18.320 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.248 -3.333 -19.174 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.181 -2.111 -18.334 1.00 0.00 H new ATOM 281 N GLY A 22 1.928 -2.859 -14.816 1.00 0.00 N ATOM 282 CA GLY A 22 2.141 -1.665 -14.018 1.00 0.00 C ATOM 283 C GLY A 22 1.582 -1.798 -12.615 1.00 0.00 C ATOM 284 O GLY A 22 2.182 -1.320 -11.653 1.00 0.00 O ATOM 0 H GLY A 22 2.516 -3.654 -14.565 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.209 -1.455 -13.962 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.674 -0.813 -14.513 1.00 0.00 H new ATOM 288 N GLU A 23 0.428 -2.448 -12.499 1.00 0.00 N ATOM 289 CA GLU A 23 -0.213 -2.639 -11.203 1.00 0.00 C ATOM 290 C GLU A 23 0.662 -3.486 -10.283 1.00 0.00 C ATOM 291 O GLU A 23 1.565 -4.189 -10.740 1.00 0.00 O ATOM 292 CB GLU A 23 -1.580 -3.303 -11.378 1.00 0.00 C ATOM 293 CG GLU A 23 -2.663 -2.350 -11.854 1.00 0.00 C ATOM 294 CD GLU A 23 -3.316 -1.593 -10.714 1.00 0.00 C ATOM 295 OE1 GLU A 23 -3.845 -2.249 -9.793 1.00 0.00 O ATOM 296 OE2 GLU A 23 -3.298 -0.345 -10.744 1.00 0.00 O ATOM 0 H GLU A 23 -0.081 -2.851 -13.286 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.349 -1.659 -10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.488 -4.121 -12.092 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.886 -3.742 -10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.232 -1.638 -12.558 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.424 -2.912 -12.395 1.00 0.00 H new ATOM 303 N LEU A 24 0.388 -3.414 -8.985 1.00 0.00 N ATOM 304 CA LEU A 24 1.150 -4.174 -7.999 1.00 0.00 C ATOM 305 C LEU A 24 0.234 -5.085 -7.188 1.00 0.00 C ATOM 306 O LEU A 24 -0.633 -4.616 -6.453 1.00 0.00 O ATOM 307 CB LEU A 24 1.901 -3.224 -7.065 1.00 0.00 C ATOM 308 CG LEU A 24 2.669 -3.881 -5.917 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.967 -4.491 -6.423 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.948 -2.869 -4.814 1.00 0.00 C ATOM 0 H LEU A 24 -0.355 -2.838 -8.591 1.00 0.00 H new ATOM 0 HA LEU A 24 1.870 -4.795 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.604 -2.642 -7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.184 -2.521 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 24 2.053 -4.680 -5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.500 -4.954 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.745 -5.246 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.588 -3.711 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.495 -3.354 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.544 -2.049 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.005 -2.479 -4.431 1.00 0.00 H new ATOM 322 N GLY A 25 0.436 -6.392 -7.326 1.00 0.00 N ATOM 323 CA GLY A 25 -0.378 -7.349 -6.599 1.00 0.00 C ATOM 324 C GLY A 25 0.188 -7.668 -5.229 1.00 0.00 C ATOM 325 O GLY A 25 1.375 -7.967 -5.094 1.00 0.00 O ATOM 0 H GLY A 25 1.148 -6.805 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.388 -6.953 -6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.458 -8.268 -7.179 1.00 0.00 H new ATOM 329 N PHE A 26 -0.662 -7.605 -4.210 1.00 0.00 N ATOM 330 CA PHE A 26 -0.239 -7.887 -2.843 1.00 0.00 C ATOM 331 C PHE A 26 -0.798 -9.224 -2.366 1.00 0.00 C ATOM 332 O PHE A 26 -1.483 -9.925 -3.111 1.00 0.00 O ATOM 333 CB PHE A 26 -0.694 -6.768 -1.904 1.00 0.00 C ATOM 334 CG PHE A 26 -2.157 -6.445 -2.021 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.116 -7.404 -1.736 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.572 -5.184 -2.416 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.462 -7.110 -1.841 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.917 -4.885 -2.523 1.00 0.00 C ATOM 339 CZ PHE A 26 -4.863 -5.849 -2.237 1.00 0.00 C ATOM 0 H PHE A 26 -1.648 -7.361 -4.305 1.00 0.00 H new ATOM 0 HA PHE A 26 0.850 -7.942 -2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.475 -7.056 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.114 -5.870 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.808 -8.392 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.837 -4.426 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.200 -7.865 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.228 -3.897 -2.830 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.914 -5.618 -2.323 1.00 0.00 H new ATOM 349 N LYS A 27 -0.499 -9.573 -1.119 1.00 0.00 N ATOM 350 CA LYS A 27 -0.971 -10.825 -0.540 1.00 0.00 C ATOM 351 C LYS A 27 -1.561 -10.595 0.847 1.00 0.00 C ATOM 352 O LYS A 27 -1.176 -9.660 1.548 1.00 0.00 O ATOM 353 CB LYS A 27 0.176 -11.836 -0.457 1.00 0.00 C ATOM 354 CG LYS A 27 -0.274 -13.235 -0.075 1.00 0.00 C ATOM 355 CD LYS A 27 -1.012 -13.915 -1.216 1.00 0.00 C ATOM 356 CE LYS A 27 -1.484 -15.306 -0.824 1.00 0.00 C ATOM 357 NZ LYS A 27 -2.663 -15.739 -1.625 1.00 0.00 N ATOM 0 H LYS A 27 0.069 -9.006 -0.490 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.753 -11.223 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.684 -11.877 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.906 -11.486 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.593 -13.833 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.923 -13.183 0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.869 -13.308 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.357 -13.983 -2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.670 -16.018 -0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.741 -15.317 0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.954 -16.692 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.448 -15.074 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.411 -15.753 -2.634 1.00 0.00 H new ATOM 371 N GLU A 28 -2.497 -11.454 1.237 1.00 0.00 N ATOM 372 CA GLU A 28 -3.140 -11.343 2.541 1.00 0.00 C ATOM 373 C GLU A 28 -2.108 -11.408 3.663 1.00 0.00 C ATOM 374 O GLU A 28 -1.343 -12.367 3.763 1.00 0.00 O ATOM 375 CB GLU A 28 -4.175 -12.456 2.721 1.00 0.00 C ATOM 376 CG GLU A 28 -5.241 -12.134 3.755 1.00 0.00 C ATOM 377 CD GLU A 28 -6.009 -13.362 4.202 1.00 0.00 C ATOM 378 OE1 GLU A 28 -5.362 -14.374 4.545 1.00 0.00 O ATOM 379 OE2 GLU A 28 -7.257 -13.312 4.209 1.00 0.00 O ATOM 0 H GLU A 28 -2.827 -12.234 0.669 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.643 -10.377 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.657 -12.651 1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.663 -13.373 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.772 -11.668 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.937 -11.406 3.339 1.00 0.00 H new ATOM 386 N GLY A 29 -2.093 -10.380 4.506 1.00 0.00 N ATOM 387 CA GLY A 29 -1.151 -10.339 5.610 1.00 0.00 C ATOM 388 C GLY A 29 0.156 -9.669 5.232 1.00 0.00 C ATOM 389 O GLY A 29 0.752 -8.957 6.040 1.00 0.00 O ATOM 0 H GLY A 29 -2.716 -9.575 4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.600 -9.805 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.950 -11.355 5.950 1.00 0.00 H new ATOM 393 N ASP A 30 0.602 -9.899 4.002 1.00 0.00 N ATOM 394 CA ASP A 30 1.847 -9.313 3.519 1.00 0.00 C ATOM 395 C ASP A 30 1.862 -7.805 3.747 1.00 0.00 C ATOM 396 O ASP A 30 0.831 -7.141 3.640 1.00 0.00 O ATOM 397 CB ASP A 30 2.037 -9.619 2.033 1.00 0.00 C ATOM 398 CG ASP A 30 2.652 -10.984 1.796 1.00 0.00 C ATOM 399 OD1 ASP A 30 2.003 -11.995 2.140 1.00 0.00 O ATOM 400 OD2 ASP A 30 3.781 -11.042 1.267 1.00 0.00 O ATOM 0 H ASP A 30 0.120 -10.487 3.322 1.00 0.00 H new ATOM 0 HA ASP A 30 2.670 -9.755 4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.072 -9.566 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.673 -8.855 1.586 1.00 0.00 H new ATOM 405 N ILE A 31 3.037 -7.271 4.062 1.00 0.00 N ATOM 406 CA ILE A 31 3.186 -5.841 4.305 1.00 0.00 C ATOM 407 C ILE A 31 3.773 -5.135 3.088 1.00 0.00 C ATOM 408 O ILE A 31 4.838 -5.509 2.595 1.00 0.00 O ATOM 409 CB ILE A 31 4.083 -5.567 5.526 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.555 -6.316 6.752 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.160 -4.073 5.803 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.319 -5.688 7.357 1.00 0.00 C ATOM 0 H ILE A 31 3.900 -7.807 4.155 1.00 0.00 H new ATOM 0 HA ILE A 31 2.188 -5.449 4.503 1.00 0.00 H new ATOM 0 HB ILE A 31 5.088 -5.928 5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.329 -7.344 6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.339 -6.357 7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.798 -3.896 6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.577 -3.563 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.160 -3.688 6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.001 -6.271 8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.545 -4.669 7.670 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.520 -5.671 6.616 1.00 0.00 H new ATOM 424 N ILE A 32 3.074 -4.111 2.610 1.00 0.00 N ATOM 425 CA ILE A 32 3.529 -3.351 1.452 1.00 0.00 C ATOM 426 C ILE A 32 4.134 -2.016 1.874 1.00 0.00 C ATOM 427 O ILE A 32 3.438 -1.142 2.393 1.00 0.00 O ATOM 428 CB ILE A 32 2.378 -3.090 0.463 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.879 -4.408 -0.133 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.830 -2.143 -0.638 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.826 -5.092 0.711 1.00 0.00 C ATOM 0 H ILE A 32 2.191 -3.789 3.006 1.00 0.00 H new ATOM 0 HA ILE A 32 4.292 -3.953 0.959 1.00 0.00 H new ATOM 0 HB ILE A 32 1.555 -2.622 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.470 -4.217 -1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.725 -5.083 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.005 -1.968 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.141 -1.196 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.668 -2.585 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.519 -6.020 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.237 -5.315 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.037 -4.435 0.818 1.00 0.00 H new ATOM 443 N THR A 33 5.435 -1.864 1.647 1.00 0.00 N ATOM 444 CA THR A 33 6.134 -0.636 2.003 1.00 0.00 C ATOM 445 C THR A 33 5.415 0.587 1.447 1.00 0.00 C ATOM 446 O THR A 33 4.752 0.514 0.412 1.00 0.00 O ATOM 447 CB THR A 33 7.584 -0.645 1.483 1.00 0.00 C ATOM 448 OG1 THR A 33 8.242 -1.851 1.886 1.00 0.00 O ATOM 449 CG2 THR A 33 8.354 0.558 2.007 1.00 0.00 C ATOM 0 H THR A 33 6.026 -2.576 1.218 1.00 0.00 H new ATOM 0 HA THR A 33 6.146 -0.583 3.092 1.00 0.00 H new ATOM 0 HB THR A 33 7.556 -0.593 0.395 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.163 -1.849 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.375 0.530 1.627 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.867 1.475 1.674 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.372 0.532 3.097 1.00 0.00 H new ATOM 457 N LEU A 34 5.549 1.712 2.141 1.00 0.00 N ATOM 458 CA LEU A 34 4.912 2.954 1.716 1.00 0.00 C ATOM 459 C LEU A 34 5.954 4.027 1.417 1.00 0.00 C ATOM 460 O LEU A 34 6.853 4.276 2.220 1.00 0.00 O ATOM 461 CB LEU A 34 3.947 3.450 2.795 1.00 0.00 C ATOM 462 CG LEU A 34 2.687 2.610 3.006 1.00 0.00 C ATOM 463 CD1 LEU A 34 1.989 3.011 4.297 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.744 2.755 1.821 1.00 0.00 C ATOM 0 H LEU A 34 6.093 1.790 3.000 1.00 0.00 H new ATOM 0 HA LEU A 34 4.353 2.753 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.487 3.503 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.644 4.466 2.544 1.00 0.00 H new ATOM 0 HG LEU A 34 2.980 1.563 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.094 2.403 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.663 2.855 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.708 4.063 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.853 2.150 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.457 3.801 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.245 2.418 0.914 1.00 0.00 H new ATOM 476 N THR A 35 5.826 4.661 0.255 1.00 0.00 N ATOM 477 CA THR A 35 6.756 5.707 -0.150 1.00 0.00 C ATOM 478 C THR A 35 6.023 7.014 -0.434 1.00 0.00 C ATOM 479 O THR A 35 6.344 8.054 0.140 1.00 0.00 O ATOM 480 CB THR A 35 7.553 5.297 -1.403 1.00 0.00 C ATOM 481 OG1 THR A 35 6.656 4.998 -2.478 1.00 0.00 O ATOM 482 CG2 THR A 35 8.428 4.086 -1.114 1.00 0.00 C ATOM 0 H THR A 35 5.087 4.468 -0.421 1.00 0.00 H new ATOM 0 HA THR A 35 7.448 5.853 0.680 1.00 0.00 H new ATOM 0 HB THR A 35 8.195 6.131 -1.688 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.758 5.668 -3.186 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.982 3.814 -2.013 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.129 4.326 -0.315 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.801 3.249 -0.807 1.00 0.00 H new ATOM 490 N ASN A 36 5.037 6.953 -1.322 1.00 0.00 N ATOM 491 CA ASN A 36 4.258 8.132 -1.682 1.00 0.00 C ATOM 492 C ASN A 36 2.863 7.739 -2.158 1.00 0.00 C ATOM 493 O ASN A 36 2.561 6.556 -2.313 1.00 0.00 O ATOM 494 CB ASN A 36 4.976 8.930 -2.773 1.00 0.00 C ATOM 495 CG ASN A 36 4.672 10.414 -2.698 1.00 0.00 C ATOM 496 OD1 ASN A 36 3.915 10.946 -3.510 1.00 0.00 O ATOM 497 ND2 ASN A 36 5.264 11.090 -1.720 1.00 0.00 N ATOM 0 H ASN A 36 4.758 6.100 -1.806 1.00 0.00 H new ATOM 0 HA ASN A 36 4.156 8.754 -0.793 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.051 8.777 -2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.681 8.550 -3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.099 12.091 -1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.884 10.608 -1.069 1.00 0.00 H new ATOM 504 N GLN A 37 2.019 8.739 -2.390 1.00 0.00 N ATOM 505 CA GLN A 37 0.656 8.496 -2.849 1.00 0.00 C ATOM 506 C GLN A 37 0.390 9.215 -4.167 1.00 0.00 C ATOM 507 O GLN A 37 0.773 10.372 -4.343 1.00 0.00 O ATOM 508 CB GLN A 37 -0.350 8.956 -1.792 1.00 0.00 C ATOM 509 CG GLN A 37 -1.784 8.995 -2.294 1.00 0.00 C ATOM 510 CD GLN A 37 -2.764 9.437 -1.225 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.450 10.287 -0.391 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.961 8.861 -1.244 1.00 0.00 N ATOM 0 H GLN A 37 2.254 9.724 -2.268 1.00 0.00 H new ATOM 0 HA GLN A 37 0.539 7.424 -3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.293 8.288 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.069 9.950 -1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.849 9.674 -3.144 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.066 8.006 -2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.179 8.161 -1.953 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.662 9.119 -0.549 1.00 0.00 H new ATOM 521 N ILE A 38 -0.268 8.522 -5.091 1.00 0.00 N ATOM 522 CA ILE A 38 -0.585 9.095 -6.393 1.00 0.00 C ATOM 523 C ILE A 38 -2.075 9.399 -6.511 1.00 0.00 C ATOM 524 O ILE A 38 -2.465 10.469 -6.979 1.00 0.00 O ATOM 525 CB ILE A 38 -0.173 8.152 -7.539 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.346 7.968 -7.556 1.00 0.00 C ATOM 527 CG2 ILE A 38 -0.661 8.694 -8.873 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.828 6.839 -6.673 1.00 0.00 C ATOM 0 H ILE A 38 -0.592 7.563 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.019 10.023 -6.476 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.636 7.179 -7.373 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.670 7.781 -8.580 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.820 8.896 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.362 8.016 -9.673 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.748 8.778 -8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.224 9.677 -9.048 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.914 6.767 -6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.535 7.034 -5.641 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.383 5.901 -7.006 1.00 0.00 H new ATOM 540 N ASP A 39 -2.902 8.452 -6.083 1.00 0.00 N ATOM 541 CA ASP A 39 -4.349 8.619 -6.138 1.00 0.00 C ATOM 542 C ASP A 39 -4.917 8.901 -4.750 1.00 0.00 C ATOM 543 O ASP A 39 -4.174 9.002 -3.775 1.00 0.00 O ATOM 544 CB ASP A 39 -5.007 7.370 -6.727 1.00 0.00 C ATOM 545 CG ASP A 39 -6.317 7.680 -7.424 1.00 0.00 C ATOM 546 OD1 ASP A 39 -6.278 8.151 -8.580 1.00 0.00 O ATOM 547 OD2 ASP A 39 -7.383 7.452 -6.813 1.00 0.00 O ATOM 0 H ASP A 39 -2.595 7.560 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.567 9.472 -6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.323 6.903 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.185 6.647 -5.931 1.00 0.00 H new ATOM 552 N GLU A 40 -6.238 9.028 -4.671 1.00 0.00 N ATOM 553 CA GLU A 40 -6.904 9.300 -3.403 1.00 0.00 C ATOM 554 C GLU A 40 -7.186 8.005 -2.648 1.00 0.00 C ATOM 555 O GLU A 40 -7.419 8.016 -1.440 1.00 0.00 O ATOM 556 CB GLU A 40 -8.210 10.061 -3.640 1.00 0.00 C ATOM 557 CG GLU A 40 -8.013 11.424 -4.280 1.00 0.00 C ATOM 558 CD GLU A 40 -9.325 12.092 -4.646 1.00 0.00 C ATOM 559 OE1 GLU A 40 -9.941 12.715 -3.756 1.00 0.00 O ATOM 560 OE2 GLU A 40 -9.735 11.992 -5.821 1.00 0.00 O ATOM 0 H GLU A 40 -6.867 8.947 -5.470 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.239 9.915 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.860 9.461 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.725 10.187 -2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.461 12.067 -3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.402 11.316 -5.176 1.00 0.00 H new ATOM 567 N ASN A 41 -7.165 6.889 -3.370 1.00 0.00 N ATOM 568 CA ASN A 41 -7.420 5.585 -2.769 1.00 0.00 C ATOM 569 C ASN A 41 -6.319 4.593 -3.134 1.00 0.00 C ATOM 570 O ASN A 41 -6.466 3.387 -2.937 1.00 0.00 O ATOM 571 CB ASN A 41 -8.778 5.047 -3.225 1.00 0.00 C ATOM 572 CG ASN A 41 -9.907 5.478 -2.309 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.065 4.949 -1.208 1.00 0.00 O ATOM 574 ND2 ASN A 41 -10.699 6.443 -2.761 1.00 0.00 N ATOM 0 H ASN A 41 -6.974 6.862 -4.372 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.430 5.707 -1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.982 5.395 -4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.740 3.958 -3.263 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.476 6.775 -2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.531 6.853 -3.680 1.00 0.00 H new ATOM 581 N TRP A 42 -5.217 5.111 -3.666 1.00 0.00 N ATOM 582 CA TRP A 42 -4.091 4.271 -4.058 1.00 0.00 C ATOM 583 C TRP A 42 -2.798 4.760 -3.415 1.00 0.00 C ATOM 584 O TRP A 42 -2.599 5.961 -3.235 1.00 0.00 O ATOM 585 CB TRP A 42 -3.945 4.256 -5.580 1.00 0.00 C ATOM 586 CG TRP A 42 -5.156 3.730 -6.289 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.384 4.322 -6.363 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.255 2.503 -7.021 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.241 3.538 -7.097 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.572 2.417 -7.512 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.359 1.471 -7.310 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.012 1.338 -8.275 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -4.798 0.401 -8.067 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.114 0.342 -8.544 1.00 0.00 C ATOM 0 H TRP A 42 -5.080 6.107 -3.836 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.287 3.257 -3.709 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.741 5.269 -5.928 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.082 3.646 -5.849 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.644 5.268 -5.911 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.217 3.755 -7.300 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.342 1.508 -6.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.027 1.289 -8.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.115 -0.404 -8.295 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.425 -0.506 -9.136 1.00 0.00 H new ATOM 605 N TYR A 43 -1.922 3.822 -3.072 1.00 0.00 N ATOM 606 CA TYR A 43 -0.648 4.158 -2.447 1.00 0.00 C ATOM 607 C TYR A 43 0.519 3.590 -3.249 1.00 0.00 C ATOM 608 O TYR A 43 0.359 2.631 -4.002 1.00 0.00 O ATOM 609 CB TYR A 43 -0.604 3.626 -1.013 1.00 0.00 C ATOM 610 CG TYR A 43 -1.420 4.444 -0.038 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.358 5.832 -0.041 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.256 3.828 0.886 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.102 6.582 0.848 1.00 0.00 C ATOM 614 CE2 TYR A 43 -3.005 4.570 1.778 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.924 5.947 1.756 1.00 0.00 C ATOM 616 OH TYR A 43 -3.668 6.691 2.643 1.00 0.00 O ATOM 0 H TYR A 43 -2.071 2.823 -3.216 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.557 5.244 -2.427 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.967 2.598 -1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.432 3.601 -0.675 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.717 6.333 -0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.321 2.750 0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.041 7.660 0.833 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.650 4.075 2.489 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.194 6.091 3.212 1.00 0.00 H new ATOM 626 N GLU A 44 1.693 4.191 -3.079 1.00 0.00 N ATOM 627 CA GLU A 44 2.887 3.745 -3.787 1.00 0.00 C ATOM 628 C GLU A 44 3.843 3.024 -2.841 1.00 0.00 C ATOM 629 O GLU A 44 4.043 3.446 -1.702 1.00 0.00 O ATOM 630 CB GLU A 44 3.596 4.935 -4.436 1.00 0.00 C ATOM 631 CG GLU A 44 4.400 4.565 -5.671 1.00 0.00 C ATOM 632 CD GLU A 44 5.337 5.673 -6.111 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.964 6.303 -5.232 1.00 0.00 O ATOM 634 OE2 GLU A 44 5.444 5.912 -7.332 1.00 0.00 O ATOM 0 H GLU A 44 1.842 4.986 -2.458 1.00 0.00 H new ATOM 0 HA GLU A 44 2.578 3.047 -4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.854 5.685 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.261 5.394 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.979 3.664 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.717 4.327 -6.486 1.00 0.00 H new ATOM 641 N GLY A 45 4.431 1.932 -3.321 1.00 0.00 N ATOM 642 CA GLY A 45 5.358 1.169 -2.506 1.00 0.00 C ATOM 643 C GLY A 45 6.221 0.235 -3.330 1.00 0.00 C ATOM 644 O GLY A 45 6.107 0.193 -4.555 1.00 0.00 O ATOM 0 H GLY A 45 4.282 1.562 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.998 1.855 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.799 0.589 -1.772 1.00 0.00 H new ATOM 648 N MET A 46 7.089 -0.514 -2.658 1.00 0.00 N ATOM 649 CA MET A 46 7.975 -1.452 -3.337 1.00 0.00 C ATOM 650 C MET A 46 7.796 -2.864 -2.789 1.00 0.00 C ATOM 651 O MET A 46 8.103 -3.134 -1.627 1.00 0.00 O ATOM 652 CB MET A 46 9.433 -1.013 -3.180 1.00 0.00 C ATOM 653 CG MET A 46 9.909 -0.083 -4.284 1.00 0.00 C ATOM 654 SD MET A 46 11.471 0.725 -3.885 1.00 0.00 S ATOM 655 CE MET A 46 10.906 2.381 -3.499 1.00 0.00 C ATOM 0 H MET A 46 7.198 -0.490 -1.644 1.00 0.00 H new ATOM 0 HA MET A 46 7.715 -1.457 -4.396 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.552 -0.513 -2.219 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.070 -1.897 -3.161 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.023 -0.650 -5.208 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.148 0.676 -4.468 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.587 3.110 -3.940 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.905 2.528 -3.905 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.882 2.514 -2.417 1.00 0.00 H new ATOM 665 N LEU A 47 7.296 -3.762 -3.632 1.00 0.00 N ATOM 666 CA LEU A 47 7.075 -5.147 -3.232 1.00 0.00 C ATOM 667 C LEU A 47 7.597 -6.110 -4.293 1.00 0.00 C ATOM 668 O LEU A 47 7.335 -5.939 -5.484 1.00 0.00 O ATOM 669 CB LEU A 47 5.586 -5.397 -2.988 1.00 0.00 C ATOM 670 CG LEU A 47 5.228 -6.725 -2.321 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.593 -6.697 -0.845 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.749 -7.032 -2.501 1.00 0.00 C ATOM 0 H LEU A 47 7.036 -3.555 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 47 7.623 -5.324 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.199 -4.587 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.068 -5.343 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 47 5.803 -7.517 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.331 -7.651 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.664 -6.526 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.046 -5.894 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.513 -7.981 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.155 -6.238 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.518 -7.097 -3.564 1.00 0.00 H new ATOM 684 N HIS A 48 8.334 -7.125 -3.853 1.00 0.00 N ATOM 685 CA HIS A 48 8.890 -8.118 -4.766 1.00 0.00 C ATOM 686 C HIS A 48 9.640 -7.444 -5.911 1.00 0.00 C ATOM 687 O HIS A 48 9.527 -7.853 -7.066 1.00 0.00 O ATOM 688 CB HIS A 48 7.779 -9.009 -5.322 1.00 0.00 C ATOM 689 CG HIS A 48 7.491 -10.208 -4.473 1.00 0.00 C ATOM 690 ND1 HIS A 48 7.833 -11.492 -4.842 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.891 -10.313 -3.264 1.00 0.00 C ATOM 692 CE1 HIS A 48 7.455 -12.335 -3.898 1.00 0.00 C ATOM 693 NE2 HIS A 48 6.880 -11.645 -2.929 1.00 0.00 N ATOM 0 H HIS A 48 8.560 -7.282 -2.871 1.00 0.00 H new ATOM 0 HA HIS A 48 9.594 -8.735 -4.208 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.868 -8.419 -5.424 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.057 -9.341 -6.322 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.495 -9.501 -2.673 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.593 -13.406 -3.915 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.491 -12.038 -2.072 1.00 0.00 H new ATOM 702 N GLY A 49 10.404 -6.407 -5.583 1.00 0.00 N ATOM 703 CA GLY A 49 11.160 -5.692 -6.595 1.00 0.00 C ATOM 704 C GLY A 49 10.267 -5.034 -7.628 1.00 0.00 C ATOM 705 O GLY A 49 10.700 -4.756 -8.747 1.00 0.00 O ATOM 0 H GLY A 49 10.513 -6.049 -4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.776 -4.932 -6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.839 -6.384 -7.094 1.00 0.00 H new ATOM 709 N HIS A 50 9.016 -4.785 -7.254 1.00 0.00 N ATOM 710 CA HIS A 50 8.059 -4.156 -8.158 1.00 0.00 C ATOM 711 C HIS A 50 7.474 -2.891 -7.535 1.00 0.00 C ATOM 712 O HIS A 50 7.042 -2.898 -6.383 1.00 0.00 O ATOM 713 CB HIS A 50 6.936 -5.133 -8.506 1.00 0.00 C ATOM 714 CG HIS A 50 7.409 -6.358 -9.226 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.306 -6.316 -10.273 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.107 -7.665 -9.043 1.00 0.00 C ATOM 717 CE1 HIS A 50 8.533 -7.544 -10.704 1.00 0.00 C ATOM 718 NE2 HIS A 50 7.818 -8.381 -9.974 1.00 0.00 N ATOM 0 H HIS A 50 8.641 -5.009 -6.332 1.00 0.00 H new ATOM 0 HA HIS A 50 8.586 -3.880 -9.071 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.430 -5.434 -7.589 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.198 -4.621 -9.124 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.432 -8.069 -8.303 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.191 -7.817 -11.515 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.797 -9.395 -10.084 1.00 0.00 H new ATOM 727 N SER A 51 7.465 -1.808 -8.306 1.00 0.00 N ATOM 728 CA SER A 51 6.938 -0.535 -7.828 1.00 0.00 C ATOM 729 C SER A 51 5.630 -0.190 -8.533 1.00 0.00 C ATOM 730 O SER A 51 5.625 0.201 -9.699 1.00 0.00 O ATOM 731 CB SER A 51 7.961 0.581 -8.052 1.00 0.00 C ATOM 732 OG SER A 51 8.195 0.788 -9.435 1.00 0.00 O ATOM 0 H SER A 51 7.816 -1.787 -9.263 1.00 0.00 H new ATOM 0 HA SER A 51 6.741 -0.629 -6.760 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.601 1.505 -7.598 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.897 0.326 -7.556 1.00 0.00 H new ATOM 0 HG SER A 51 7.351 0.704 -9.926 1.00 0.00 H new ATOM 738 N GLY A 52 4.521 -0.339 -7.815 1.00 0.00 N ATOM 739 CA GLY A 52 3.221 -0.040 -8.387 1.00 0.00 C ATOM 740 C GLY A 52 2.262 0.546 -7.371 1.00 0.00 C ATOM 741 O GLY A 52 2.617 0.733 -6.207 1.00 0.00 O ATOM 0 H GLY A 52 4.500 -0.661 -6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.343 0.661 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.792 -0.952 -8.803 1.00 0.00 H new ATOM 745 N PHE A 53 1.042 0.839 -7.810 1.00 0.00 N ATOM 746 CA PHE A 53 0.029 1.411 -6.931 1.00 0.00 C ATOM 747 C PHE A 53 -1.019 0.366 -6.558 1.00 0.00 C ATOM 748 O PHE A 53 -1.520 -0.361 -7.415 1.00 0.00 O ATOM 749 CB PHE A 53 -0.645 2.608 -7.605 1.00 0.00 C ATOM 750 CG PHE A 53 0.253 3.343 -8.559 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.512 3.764 -8.161 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.162 3.613 -9.853 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.339 4.441 -9.036 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.661 4.290 -10.733 1.00 0.00 C ATOM 755 CZ PHE A 53 1.914 4.703 -10.324 1.00 0.00 C ATOM 0 H PHE A 53 0.731 0.690 -8.770 1.00 0.00 H new ATOM 0 HA PHE A 53 0.522 1.747 -6.019 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.528 2.262 -8.143 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.990 3.300 -6.837 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.850 3.561 -7.156 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.140 3.291 -10.178 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.317 4.765 -8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.325 4.496 -11.739 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.560 5.230 -11.010 1.00 0.00 H new ATOM 765 N PHE A 54 -1.344 0.298 -5.271 1.00 0.00 N ATOM 766 CA PHE A 54 -2.331 -0.659 -4.782 1.00 0.00 C ATOM 767 C PHE A 54 -3.468 0.056 -4.058 1.00 0.00 C ATOM 768 O PHE A 54 -3.304 1.150 -3.518 1.00 0.00 O ATOM 769 CB PHE A 54 -1.670 -1.671 -3.844 1.00 0.00 C ATOM 770 CG PHE A 54 -0.739 -1.044 -2.846 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.495 -0.555 -3.242 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.098 -0.944 -1.511 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.355 0.023 -2.326 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.243 -0.367 -0.591 1.00 0.00 C ATOM 775 CZ PHE A 54 0.985 0.116 -0.999 1.00 0.00 C ATOM 0 H PHE A 54 -0.939 0.893 -4.548 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.746 -1.187 -5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.446 -2.220 -3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.117 -2.398 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.789 -0.626 -4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.056 -1.321 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.314 0.401 -2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.535 -0.294 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.655 0.566 -0.281 1.00 0.00 H new ATOM 785 N PRO A 55 -4.651 -0.577 -4.046 1.00 0.00 N ATOM 786 CA PRO A 55 -5.840 -0.021 -3.393 1.00 0.00 C ATOM 787 C PRO A 55 -5.716 -0.016 -1.873 1.00 0.00 C ATOM 788 O PRO A 55 -4.997 -0.832 -1.297 1.00 0.00 O ATOM 789 CB PRO A 55 -6.961 -0.964 -3.835 1.00 0.00 C ATOM 790 CG PRO A 55 -6.277 -2.252 -4.138 1.00 0.00 C ATOM 791 CD PRO A 55 -4.919 -1.884 -4.670 1.00 0.00 C ATOM 0 HA PRO A 55 -6.008 1.020 -3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.707 -1.087 -3.050 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.481 -0.577 -4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.192 -2.869 -3.243 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.840 -2.830 -4.871 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.166 -2.623 -4.395 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.918 -1.818 -5.758 1.00 0.00 H new ATOM 799 N ILE A 56 -6.422 0.908 -1.230 1.00 0.00 N ATOM 800 CA ILE A 56 -6.393 1.017 0.224 1.00 0.00 C ATOM 801 C ILE A 56 -7.535 0.231 0.858 1.00 0.00 C ATOM 802 O ILE A 56 -7.461 -0.162 2.021 1.00 0.00 O ATOM 803 CB ILE A 56 -6.480 2.485 0.680 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.381 3.315 0.012 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.373 2.576 2.195 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.562 4.807 0.185 1.00 0.00 C ATOM 0 H ILE A 56 -7.021 1.592 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.442 0.599 0.552 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.447 2.887 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.415 3.024 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.356 3.081 -1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.436 3.620 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.187 2.013 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.419 2.160 2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.748 5.333 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.512 5.111 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.557 5.053 1.247 1.00 0.00 H new ATOM 818 N ASN A 57 -8.591 0.003 0.083 1.00 0.00 N ATOM 819 CA ASN A 57 -9.749 -0.738 0.568 1.00 0.00 C ATOM 820 C ASN A 57 -9.370 -2.174 0.915 1.00 0.00 C ATOM 821 O ASN A 57 -10.132 -2.889 1.567 1.00 0.00 O ATOM 822 CB ASN A 57 -10.861 -0.732 -0.483 1.00 0.00 C ATOM 823 CG ASN A 57 -10.733 -1.880 -1.467 1.00 0.00 C ATOM 824 OD1 ASN A 57 -9.893 -1.850 -2.366 1.00 0.00 O ATOM 825 ND2 ASN A 57 -11.568 -2.898 -1.299 1.00 0.00 N ATOM 0 H ASN A 57 -8.668 0.321 -0.883 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.110 -0.248 1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.829 -0.790 0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.839 0.213 -1.026 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.529 -3.699 -1.930 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.248 -2.879 -0.539 1.00 0.00 H new ATOM 832 N TYR A 58 -8.187 -2.591 0.477 1.00 0.00 N ATOM 833 CA TYR A 58 -7.707 -3.942 0.739 1.00 0.00 C ATOM 834 C TYR A 58 -6.658 -3.942 1.847 1.00 0.00 C ATOM 835 O TYR A 58 -6.546 -4.899 2.612 1.00 0.00 O ATOM 836 CB TYR A 58 -7.120 -4.554 -0.534 1.00 0.00 C ATOM 837 CG TYR A 58 -8.142 -5.267 -1.390 1.00 0.00 C ATOM 838 CD1 TYR A 58 -8.930 -6.283 -0.863 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.320 -4.925 -2.724 1.00 0.00 C ATOM 840 CE1 TYR A 58 -9.865 -6.938 -1.642 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.253 -5.574 -3.510 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.022 -6.580 -2.964 1.00 0.00 C ATOM 843 OH TYR A 58 -10.953 -7.229 -3.743 1.00 0.00 O ATOM 0 H TYR A 58 -7.543 -2.012 -0.061 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.555 -4.544 1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.651 -3.766 -1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.334 -5.257 -0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.810 -6.565 0.172 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.719 -4.138 -3.155 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.469 -7.726 -1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.379 -5.295 -4.546 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.938 -6.856 -4.649 1.00 0.00 H new ATOM 853 N VAL A 59 -5.892 -2.858 1.927 1.00 0.00 N ATOM 854 CA VAL A 59 -4.852 -2.730 2.941 1.00 0.00 C ATOM 855 C VAL A 59 -5.174 -1.606 3.919 1.00 0.00 C ATOM 856 O VAL A 59 -5.541 -0.504 3.513 1.00 0.00 O ATOM 857 CB VAL A 59 -3.476 -2.463 2.304 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.292 -3.310 1.054 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.315 -0.984 1.985 1.00 0.00 C ATOM 0 H VAL A 59 -5.972 -2.056 1.302 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.817 -3.677 3.479 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.703 -2.743 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.314 -3.107 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.361 -4.366 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.070 -3.065 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.337 -0.813 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.094 -0.675 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.399 -0.403 2.903 1.00 0.00 H new ATOM 869 N GLU A 60 -5.035 -1.893 5.210 1.00 0.00 N ATOM 870 CA GLU A 60 -5.312 -0.905 6.246 1.00 0.00 C ATOM 871 C GLU A 60 -4.058 -0.102 6.581 1.00 0.00 C ATOM 872 O GLU A 60 -2.956 -0.648 6.638 1.00 0.00 O ATOM 873 CB GLU A 60 -5.843 -1.591 7.506 1.00 0.00 C ATOM 874 CG GLU A 60 -6.789 -0.722 8.319 1.00 0.00 C ATOM 875 CD GLU A 60 -6.057 0.273 9.197 1.00 0.00 C ATOM 876 OE1 GLU A 60 -5.223 -0.160 10.018 1.00 0.00 O ATOM 877 OE2 GLU A 60 -6.320 1.487 9.063 1.00 0.00 O ATOM 0 H GLU A 60 -4.732 -2.801 5.563 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.070 -0.220 5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.360 -2.507 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.001 -1.882 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.454 -0.184 7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.416 -1.359 8.943 1.00 0.00 H new ATOM 884 N ILE A 61 -4.236 1.196 6.800 1.00 0.00 N ATOM 885 CA ILE A 61 -3.120 2.074 7.129 1.00 0.00 C ATOM 886 C ILE A 61 -2.943 2.196 8.639 1.00 0.00 C ATOM 887 O ILE A 61 -3.851 2.630 9.349 1.00 0.00 O ATOM 888 CB ILE A 61 -3.315 3.481 6.532 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.366 3.407 5.005 1.00 0.00 C ATOM 890 CG2 ILE A 61 -2.199 4.409 6.987 1.00 0.00 C ATOM 891 CD1 ILE A 61 -2.191 2.674 4.396 1.00 0.00 C ATOM 0 H ILE A 61 -5.142 1.663 6.756 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.227 1.624 6.695 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.263 3.884 6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.289 2.911 4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.402 4.419 4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.351 5.399 6.557 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.206 4.481 8.075 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.239 4.013 6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.293 2.660 3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.265 3.182 4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.166 1.651 4.771 1.00 0.00 H new ATOM 903 N LEU A 62 -1.768 1.811 9.124 1.00 0.00 N ATOM 904 CA LEU A 62 -1.469 1.878 10.550 1.00 0.00 C ATOM 905 C LEU A 62 -0.667 3.132 10.881 1.00 0.00 C ATOM 906 O LEU A 62 -0.911 3.789 11.893 1.00 0.00 O ATOM 907 CB LEU A 62 -0.695 0.633 10.989 1.00 0.00 C ATOM 908 CG LEU A 62 -1.233 -0.705 10.481 1.00 0.00 C ATOM 909 CD1 LEU A 62 -0.118 -1.737 10.412 1.00 0.00 C ATOM 910 CD2 LEU A 62 -2.364 -1.198 11.372 1.00 0.00 C ATOM 0 H LEU A 62 -1.006 1.449 8.550 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.414 1.920 11.092 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.338 0.736 10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.679 0.605 12.079 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.627 -0.558 9.475 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.520 -2.683 10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.659 -1.388 9.733 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.306 -1.881 11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.735 -2.151 10.995 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.995 -1.328 12.389 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.173 -0.468 11.370 1.00 0.00 H new ATOM 922 N VAL A 63 0.291 3.460 10.019 1.00 0.00 N ATOM 923 CA VAL A 63 1.127 4.638 10.216 1.00 0.00 C ATOM 924 C VAL A 63 0.927 5.649 9.094 1.00 0.00 C ATOM 925 O VAL A 63 1.319 5.411 7.952 1.00 0.00 O ATOM 926 CB VAL A 63 2.619 4.260 10.292 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.487 5.509 10.265 1.00 0.00 C ATOM 928 CG2 VAL A 63 2.896 3.435 11.540 1.00 0.00 C ATOM 0 H VAL A 63 0.507 2.926 9.177 1.00 0.00 H new ATOM 0 HA VAL A 63 0.824 5.086 11.162 1.00 0.00 H new ATOM 0 HB VAL A 63 2.868 3.654 9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.537 5.223 10.319 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.307 6.057 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.239 6.143 11.116 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.954 3.177 11.578 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.632 4.014 12.425 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.301 2.522 11.512 1.00 0.00 H new ATOM 938 N ALA A 64 0.313 6.780 9.426 1.00 0.00 N ATOM 939 CA ALA A 64 0.063 7.830 8.447 1.00 0.00 C ATOM 940 C ALA A 64 1.369 8.371 7.876 1.00 0.00 C ATOM 941 O ALA A 64 2.216 8.880 8.611 1.00 0.00 O ATOM 942 CB ALA A 64 -0.748 8.955 9.074 1.00 0.00 C ATOM 0 H ALA A 64 -0.021 6.992 10.366 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.510 7.398 7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.927 9.732 8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.702 8.563 9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.196 9.377 9.914 1.00 0.00 H new ATOM 948 N LEU A 65 1.526 8.258 6.562 1.00 0.00 N ATOM 949 CA LEU A 65 2.731 8.736 5.891 1.00 0.00 C ATOM 950 C LEU A 65 3.084 10.148 6.348 1.00 0.00 C ATOM 951 O LEU A 65 2.227 10.922 6.773 1.00 0.00 O ATOM 952 CB LEU A 65 2.538 8.711 4.374 1.00 0.00 C ATOM 953 CG LEU A 65 2.762 7.362 3.691 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.913 7.253 2.434 1.00 0.00 C ATOM 955 CD2 LEU A 65 4.235 7.169 3.360 1.00 0.00 C ATOM 0 H LEU A 65 0.835 7.840 5.940 1.00 0.00 H new ATOM 0 HA LEU A 65 3.553 8.072 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.524 9.044 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.218 9.438 3.929 1.00 0.00 H new ATOM 0 HG LEU A 65 2.459 6.573 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.086 6.286 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.859 7.345 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.185 8.049 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.375 6.203 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.565 7.963 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.822 7.202 4.278 1.00 0.00 H new ATOM 967 N PRO A 66 4.377 10.493 6.257 1.00 0.00 N ATOM 968 CA PRO A 66 4.873 11.814 6.653 1.00 0.00 C ATOM 969 C PRO A 66 4.411 12.915 5.705 1.00 0.00 C ATOM 970 O PRO A 66 4.980 13.100 4.628 1.00 0.00 O ATOM 971 CB PRO A 66 6.394 11.656 6.589 1.00 0.00 C ATOM 972 CG PRO A 66 6.620 10.558 5.607 1.00 0.00 C ATOM 973 CD PRO A 66 5.454 9.620 5.760 1.00 0.00 C ATOM 0 HA PRO A 66 4.503 12.111 7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.875 12.580 6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.807 11.405 7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.676 10.948 4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.562 10.046 5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.187 9.153 4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.675 8.815 6.461 1.00 0.00 H new ATOM 981 N HIS A 67 3.377 13.645 6.112 1.00 0.00 N ATOM 982 CA HIS A 67 2.840 14.729 5.298 1.00 0.00 C ATOM 983 C HIS A 67 3.534 16.048 5.623 1.00 0.00 C ATOM 984 O HIS A 67 3.915 16.295 6.768 1.00 0.00 O ATOM 985 CB HIS A 67 1.333 14.864 5.520 1.00 0.00 C ATOM 986 CG HIS A 67 0.572 13.603 5.245 1.00 0.00 C ATOM 987 ND1 HIS A 67 0.121 12.764 6.242 1.00 0.00 N ATOM 988 CD2 HIS A 67 0.181 13.042 4.077 1.00 0.00 C ATOM 989 CE1 HIS A 67 -0.512 11.740 5.699 1.00 0.00 C ATOM 990 NE2 HIS A 67 -0.490 11.885 4.386 1.00 0.00 N ATOM 0 H HIS A 67 2.895 13.505 7.000 1.00 0.00 H new ATOM 0 HA HIS A 67 3.025 14.490 4.251 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.152 15.171 6.550 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.949 15.658 4.879 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.363 13.432 3.086 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -0.970 10.923 6.237 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -0.904 11.242 3.711 1.00 0.00 H new ATOM 999 N SER A 68 3.695 16.893 4.609 1.00 0.00 N ATOM 1000 CA SER A 68 4.347 18.185 4.787 1.00 0.00 C ATOM 1001 C SER A 68 3.350 19.326 4.608 1.00 0.00 C ATOM 1002 O SER A 68 2.368 19.198 3.878 1.00 0.00 O ATOM 1003 CB SER A 68 5.500 18.339 3.793 1.00 0.00 C ATOM 1004 OG SER A 68 6.462 19.265 4.267 1.00 0.00 O ATOM 0 H SER A 68 3.383 16.706 3.656 1.00 0.00 H new ATOM 0 HA SER A 68 4.743 18.228 5.802 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.973 17.371 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.112 18.673 2.831 1.00 0.00 H new ATOM 0 HG SER A 68 7.189 19.344 3.615 1.00 0.00 H new ATOM 1010 N GLY A 69 3.611 20.443 5.281 1.00 0.00 N ATOM 1011 CA GLY A 69 2.729 21.591 5.184 1.00 0.00 C ATOM 1012 C GLY A 69 1.343 21.304 5.728 1.00 0.00 C ATOM 1013 O GLY A 69 0.411 21.000 4.983 1.00 0.00 O ATOM 0 H GLY A 69 4.418 20.573 5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.165 22.427 5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.650 21.898 4.141 1.00 0.00 H new ATOM 1017 N PRO A 70 1.194 21.400 7.057 1.00 0.00 N ATOM 1018 CA PRO A 70 -0.085 21.152 7.730 1.00 0.00 C ATOM 1019 C PRO A 70 -1.114 22.238 7.437 1.00 0.00 C ATOM 1020 O PRO A 70 -1.137 23.278 8.095 1.00 0.00 O ATOM 1021 CB PRO A 70 0.289 21.155 9.214 1.00 0.00 C ATOM 1022 CG PRO A 70 1.519 21.991 9.293 1.00 0.00 C ATOM 1023 CD PRO A 70 2.261 21.759 8.006 1.00 0.00 C ATOM 0 HA PRO A 70 -0.549 20.224 7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.513 21.572 9.823 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.473 20.144 9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.268 23.045 9.414 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.129 21.708 10.151 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.800 22.651 7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.997 20.961 8.105 1.00 0.00 H new ATOM 1031 N SER A 71 -1.965 21.990 6.447 1.00 0.00 N ATOM 1032 CA SER A 71 -2.995 22.949 6.065 1.00 0.00 C ATOM 1033 C SER A 71 -4.386 22.338 6.208 1.00 0.00 C ATOM 1034 O SER A 71 -4.563 21.129 6.061 1.00 0.00 O ATOM 1035 CB SER A 71 -2.777 23.417 4.625 1.00 0.00 C ATOM 1036 OG SER A 71 -1.741 24.381 4.553 1.00 0.00 O ATOM 0 H SER A 71 -1.962 21.133 5.894 1.00 0.00 H new ATOM 0 HA SER A 71 -2.923 23.807 6.733 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.527 22.563 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.701 23.842 4.234 1.00 0.00 H new ATOM 0 HG SER A 71 -1.620 24.663 3.622 1.00 0.00 H new ATOM 1042 N SER A 72 -5.370 23.183 6.497 1.00 0.00 N ATOM 1043 CA SER A 72 -6.745 22.728 6.664 1.00 0.00 C ATOM 1044 C SER A 72 -7.053 21.572 5.717 1.00 0.00 C ATOM 1045 O SER A 72 -7.612 20.554 6.123 1.00 0.00 O ATOM 1046 CB SER A 72 -7.720 23.880 6.416 1.00 0.00 C ATOM 1047 OG SER A 72 -9.058 23.476 6.651 1.00 0.00 O ATOM 0 H SER A 72 -5.240 24.187 6.620 1.00 0.00 H new ATOM 0 HA SER A 72 -6.864 22.377 7.689 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.470 24.718 7.067 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.618 24.232 5.389 1.00 0.00 H new ATOM 0 HG SER A 72 -9.661 24.231 6.487 1.00 0.00 H new ATOM 1053 N GLY A 73 -6.685 21.739 4.450 1.00 0.00 N ATOM 1054 CA GLY A 73 -6.930 20.704 3.464 1.00 0.00 C ATOM 1055 C GLY A 73 -8.403 20.552 3.136 1.00 0.00 C ATOM 1056 O GLY A 73 -9.162 19.975 3.914 1.00 0.00 O ATOM 0 H GLY A 73 -6.222 22.573 4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.380 20.938 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.544 19.755 3.835 1.00 0.00 H new TER 1060 GLY A 73