USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 641 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+ 129:sc= 0.0152 (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 9 LYS NZ :NH3+ -165:sc=-0.00945 (180deg=-0.132) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc=-0.00695 K(o=-0.0069,f=-0.52) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 29 THR OG1 : rot -171:sc= 1.16 USER MOD Single : A 39 ASN : amide:sc= -0.834 K(o=-0.83,f=-1.7!) USER MOD Single : A 50 TYR OH : rot 3:sc= -0.105 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -2.42 K(o=-2.4,f=-3.2!) USER MOD Single : A 60 ASN : amide:sc= -0.367 K(o=-0.37,f=-1.1) USER MOD Single : A 63 GLN : amide:sc= 0.218 K(o=0.22,f=-0.81) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0233 USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= 0.479 (180deg=-0.0938) USER MOD Single : A 74 SER OG : rot 44:sc= 0.94! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 30:sc= 0.992 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.237 25.890 -16.804 1.00 0.00 N ATOM 2 CA GLY A 1 -20.130 25.963 -15.358 1.00 0.00 C ATOM 3 C GLY A 1 -18.852 26.640 -14.905 1.00 0.00 C ATOM 4 O GLY A 1 -17.814 26.522 -15.556 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.452 24.913 -17.087 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.998 26.520 -17.128 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.337 26.185 -17.234 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.987 26.507 -14.960 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.171 24.956 -14.942 1.00 0.00 H new ATOM 8 N SER A 2 -18.927 27.354 -13.786 1.00 0.00 N ATOM 9 CA SER A 2 -17.769 28.057 -13.249 1.00 0.00 C ATOM 10 C SER A 2 -17.338 27.456 -11.915 1.00 0.00 C ATOM 11 O SER A 2 -18.039 26.621 -11.343 1.00 0.00 O ATOM 12 CB SER A 2 -18.085 29.544 -13.073 1.00 0.00 C ATOM 13 OG SER A 2 -16.916 30.334 -13.208 1.00 0.00 O ATOM 0 H SER A 2 -19.778 27.460 -13.234 1.00 0.00 H new ATOM 0 HA SER A 2 -16.948 27.948 -13.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.823 29.852 -13.813 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.529 29.711 -12.092 1.00 0.00 H new ATOM 0 HG SER A 2 -17.145 31.280 -13.093 1.00 0.00 H new ATOM 19 N SER A 3 -16.180 27.886 -11.425 1.00 0.00 N ATOM 20 CA SER A 3 -15.652 27.388 -10.160 1.00 0.00 C ATOM 21 C SER A 3 -14.547 28.300 -9.636 1.00 0.00 C ATOM 22 O SER A 3 -13.910 29.024 -10.399 1.00 0.00 O ATOM 23 CB SER A 3 -15.117 25.965 -10.331 1.00 0.00 C ATOM 24 OG SER A 3 -14.963 25.324 -9.077 1.00 0.00 O ATOM 0 H SER A 3 -15.589 28.579 -11.885 1.00 0.00 H new ATOM 0 HA SER A 3 -16.465 27.378 -9.434 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.800 25.389 -10.956 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.158 25.993 -10.849 1.00 0.00 H new ATOM 0 HG SER A 3 -14.622 24.416 -9.214 1.00 0.00 H new ATOM 30 N GLY A 4 -14.326 28.258 -8.325 1.00 0.00 N ATOM 31 CA GLY A 4 -13.298 29.085 -7.720 1.00 0.00 C ATOM 32 C GLY A 4 -13.852 30.014 -6.658 1.00 0.00 C ATOM 33 O GLY A 4 -14.792 30.767 -6.912 1.00 0.00 O ATOM 0 H GLY A 4 -14.840 27.667 -7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.535 28.445 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.808 29.675 -8.495 1.00 0.00 H new ATOM 37 N SER A 5 -13.269 29.961 -5.465 1.00 0.00 N ATOM 38 CA SER A 5 -13.713 30.802 -4.359 1.00 0.00 C ATOM 39 C SER A 5 -12.663 30.846 -3.254 1.00 0.00 C ATOM 40 O SER A 5 -12.269 29.811 -2.715 1.00 0.00 O ATOM 41 CB SER A 5 -15.039 30.283 -3.798 1.00 0.00 C ATOM 42 OG SER A 5 -15.316 30.855 -2.532 1.00 0.00 O ATOM 0 H SER A 5 -12.488 29.345 -5.239 1.00 0.00 H new ATOM 0 HA SER A 5 -13.857 31.813 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.847 30.517 -4.491 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.000 29.197 -3.709 1.00 0.00 H new ATOM 0 HG SER A 5 -16.169 30.508 -2.196 1.00 0.00 H new ATOM 48 N SER A 6 -12.214 32.051 -2.920 1.00 0.00 N ATOM 49 CA SER A 6 -11.206 32.232 -1.882 1.00 0.00 C ATOM 50 C SER A 6 -11.804 32.917 -0.657 1.00 0.00 C ATOM 51 O SER A 6 -12.711 33.741 -0.774 1.00 0.00 O ATOM 52 CB SER A 6 -10.032 33.053 -2.418 1.00 0.00 C ATOM 53 OG SER A 6 -9.176 32.258 -3.220 1.00 0.00 O ATOM 0 H SER A 6 -12.533 32.918 -3.354 1.00 0.00 H new ATOM 0 HA SER A 6 -10.845 31.247 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.408 33.892 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.468 33.473 -1.585 1.00 0.00 H new ATOM 0 HG SER A 6 -8.435 32.807 -3.551 1.00 0.00 H new ATOM 59 N GLY A 7 -11.290 32.570 0.518 1.00 0.00 N ATOM 60 CA GLY A 7 -11.784 33.160 1.748 1.00 0.00 C ATOM 61 C GLY A 7 -11.668 32.219 2.931 1.00 0.00 C ATOM 62 O GLY A 7 -10.846 32.411 3.826 1.00 0.00 O ATOM 0 H GLY A 7 -10.540 31.890 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.227 34.073 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.828 33.446 1.616 1.00 0.00 H new ATOM 66 N PRO A 8 -12.509 31.174 2.945 1.00 0.00 N ATOM 67 CA PRO A 8 -12.517 30.179 4.021 1.00 0.00 C ATOM 68 C PRO A 8 -11.271 29.301 4.009 1.00 0.00 C ATOM 69 O PRO A 8 -11.089 28.474 3.115 1.00 0.00 O ATOM 70 CB PRO A 8 -13.764 29.342 3.721 1.00 0.00 C ATOM 71 CG PRO A 8 -13.978 29.493 2.255 1.00 0.00 C ATOM 72 CD PRO A 8 -13.516 30.882 1.910 1.00 0.00 C ATOM 0 HA PRO A 8 -12.526 30.645 5.006 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.615 28.297 3.994 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -14.625 29.699 4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.413 28.745 1.699 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.028 29.356 1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.087 30.926 0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.338 31.597 1.936 1.00 0.00 H new ATOM 80 N LYS A 9 -10.413 29.485 5.007 1.00 0.00 N ATOM 81 CA LYS A 9 -9.183 28.709 5.113 1.00 0.00 C ATOM 82 C LYS A 9 -9.487 27.250 5.437 1.00 0.00 C ATOM 83 O LYS A 9 -10.365 26.937 6.241 1.00 0.00 O ATOM 84 CB LYS A 9 -8.273 29.303 6.191 1.00 0.00 C ATOM 85 CG LYS A 9 -7.412 30.452 5.695 1.00 0.00 C ATOM 86 CD LYS A 9 -8.256 31.658 5.318 1.00 0.00 C ATOM 87 CE LYS A 9 -7.452 32.946 5.394 1.00 0.00 C ATOM 88 NZ LYS A 9 -7.191 33.355 6.802 1.00 0.00 N ATOM 0 H LYS A 9 -10.547 30.166 5.755 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.672 28.750 4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.887 29.652 7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.626 28.518 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.698 30.734 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.833 30.127 4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.645 31.530 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.116 31.725 5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.504 32.814 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.991 33.741 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.872 34.345 6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.065 33.261 7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.453 32.745 7.210 1.00 0.00 H new ATOM 102 N PRO A 10 -8.744 26.334 4.798 1.00 0.00 N ATOM 103 CA PRO A 10 -8.915 24.893 5.003 1.00 0.00 C ATOM 104 C PRO A 10 -8.453 24.446 6.386 1.00 0.00 C ATOM 105 O PRO A 10 -7.324 24.722 6.795 1.00 0.00 O ATOM 106 CB PRO A 10 -8.031 24.273 3.918 1.00 0.00 C ATOM 107 CG PRO A 10 -6.999 25.309 3.632 1.00 0.00 C ATOM 108 CD PRO A 10 -7.680 26.635 3.826 1.00 0.00 C ATOM 0 HA PRO A 10 -9.961 24.594 4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.575 23.344 4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.609 24.033 3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.146 25.206 4.303 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.618 25.211 2.615 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.990 27.389 4.206 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.087 27.018 2.890 1.00 0.00 H new ATOM 116 N LEU A 11 -9.331 23.753 7.103 1.00 0.00 N ATOM 117 CA LEU A 11 -9.013 23.266 8.441 1.00 0.00 C ATOM 118 C LEU A 11 -7.912 22.212 8.389 1.00 0.00 C ATOM 119 O LEU A 11 -7.720 21.548 7.370 1.00 0.00 O ATOM 120 CB LEU A 11 -10.262 22.684 9.103 1.00 0.00 C ATOM 121 CG LEU A 11 -10.072 22.112 10.509 1.00 0.00 C ATOM 122 CD1 LEU A 11 -9.947 23.233 11.529 1.00 0.00 C ATOM 123 CD2 LEU A 11 -11.226 21.187 10.869 1.00 0.00 C ATOM 0 H LEU A 11 -10.269 23.516 6.780 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.656 24.109 9.033 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.021 23.465 9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.655 21.895 8.461 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.149 21.532 10.523 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.812 22.807 12.523 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.087 23.856 11.282 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.852 23.841 11.514 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.074 20.789 11.872 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.162 21.744 10.837 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.269 20.364 10.155 1.00 0.00 H new ATOM 135 N LYS A 12 -7.192 22.061 9.496 1.00 0.00 N ATOM 136 CA LYS A 12 -6.112 21.085 9.579 1.00 0.00 C ATOM 137 C LYS A 12 -6.666 19.675 9.759 1.00 0.00 C ATOM 138 O LYS A 12 -7.540 19.444 10.592 1.00 0.00 O ATOM 139 CB LYS A 12 -5.176 21.428 10.740 1.00 0.00 C ATOM 140 CG LYS A 12 -4.217 22.566 10.433 1.00 0.00 C ATOM 141 CD LYS A 12 -4.820 23.915 10.788 1.00 0.00 C ATOM 142 CE LYS A 12 -4.599 24.256 12.253 1.00 0.00 C ATOM 143 NZ LYS A 12 -3.293 24.936 12.473 1.00 0.00 N ATOM 0 H LYS A 12 -7.337 22.602 10.348 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.551 21.120 8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.774 21.693 11.612 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.601 20.541 11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.291 22.423 10.990 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.958 22.549 9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.376 24.689 10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.889 23.905 10.573 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.407 24.899 12.602 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.638 23.344 12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.180 25.152 13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.520 24.312 12.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.265 25.820 11.925 1.00 0.00 H new ATOM 157 N ASN A 13 -6.149 18.737 8.972 1.00 0.00 N ATOM 158 CA ASN A 13 -6.592 17.349 9.045 1.00 0.00 C ATOM 159 C ASN A 13 -8.080 17.235 8.727 1.00 0.00 C ATOM 160 O ASN A 13 -8.820 16.531 9.414 1.00 0.00 O ATOM 161 CB ASN A 13 -6.311 16.775 10.435 1.00 0.00 C ATOM 162 CG ASN A 13 -4.835 16.510 10.664 1.00 0.00 C ATOM 163 OD1 ASN A 13 -4.307 15.477 10.252 1.00 0.00 O ATOM 164 ND2 ASN A 13 -4.161 17.446 11.323 1.00 0.00 N ATOM 0 H ASN A 13 -5.423 18.912 8.277 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.035 16.777 8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.674 17.470 11.192 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.868 15.846 10.561 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.165 17.324 11.506 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.640 18.287 11.646 1.00 0.00 H new ATOM 171 N LEU A 14 -8.510 17.933 7.682 1.00 0.00 N ATOM 172 CA LEU A 14 -9.910 17.910 7.271 1.00 0.00 C ATOM 173 C LEU A 14 -10.081 17.149 5.960 1.00 0.00 C ATOM 174 O LEU A 14 -11.044 16.403 5.785 1.00 0.00 O ATOM 175 CB LEU A 14 -10.441 19.336 7.119 1.00 0.00 C ATOM 176 CG LEU A 14 -11.962 19.491 7.125 1.00 0.00 C ATOM 177 CD1 LEU A 14 -12.576 18.771 5.934 1.00 0.00 C ATOM 178 CD2 LEU A 14 -12.546 18.965 8.428 1.00 0.00 C ATOM 0 H LEU A 14 -7.910 18.522 7.104 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.481 17.397 8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.031 19.943 7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.058 19.747 6.185 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.201 20.551 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.659 18.892 5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.181 19.194 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.328 17.711 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.629 19.083 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.297 17.909 8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.130 19.525 9.265 1.00 0.00 H new ATOM 190 N ASP A 15 -9.139 17.341 5.044 1.00 0.00 N ATOM 191 CA ASP A 15 -9.183 16.670 3.750 1.00 0.00 C ATOM 192 C ASP A 15 -9.339 15.163 3.924 1.00 0.00 C ATOM 193 O ASP A 15 -10.217 14.546 3.322 1.00 0.00 O ATOM 194 CB ASP A 15 -7.915 16.975 2.950 1.00 0.00 C ATOM 195 CG ASP A 15 -7.916 18.378 2.376 1.00 0.00 C ATOM 196 OD1 ASP A 15 -8.554 19.266 2.979 1.00 0.00 O ATOM 197 OD2 ASP A 15 -7.278 18.588 1.323 1.00 0.00 O ATOM 0 H ASP A 15 -8.335 17.956 5.173 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.048 17.046 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.044 16.849 3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.819 16.254 2.139 1.00 0.00 H new ATOM 202 N GLY A 16 -8.479 14.575 4.751 1.00 0.00 N ATOM 203 CA GLY A 16 -8.538 13.145 4.989 1.00 0.00 C ATOM 204 C GLY A 16 -7.361 12.408 4.383 1.00 0.00 C ATOM 205 O GLY A 16 -6.816 11.488 4.993 1.00 0.00 O ATOM 0 H GLY A 16 -7.743 15.064 5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.565 12.959 6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.464 12.748 4.573 1.00 0.00 H new ATOM 209 N GLN A 17 -6.968 12.811 3.179 1.00 0.00 N ATOM 210 CA GLN A 17 -5.849 12.180 2.490 1.00 0.00 C ATOM 211 C GLN A 17 -4.759 11.776 3.478 1.00 0.00 C ATOM 212 O GLN A 17 -4.043 10.798 3.262 1.00 0.00 O ATOM 213 CB GLN A 17 -5.273 13.126 1.435 1.00 0.00 C ATOM 214 CG GLN A 17 -6.194 13.346 0.246 1.00 0.00 C ATOM 215 CD GLN A 17 -5.615 14.310 -0.770 1.00 0.00 C ATOM 216 OE1 GLN A 17 -4.921 15.263 -0.415 1.00 0.00 O ATOM 217 NE2 GLN A 17 -5.897 14.067 -2.045 1.00 0.00 N ATOM 0 H GLN A 17 -7.408 13.571 2.661 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.219 11.281 1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.058 14.088 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.324 12.725 1.079 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.391 12.389 -0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.152 13.728 0.599 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.476 13.266 -2.295 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.534 14.682 -2.774 1.00 0.00 H new ATOM 226 N PHE A 18 -4.639 12.535 4.562 1.00 0.00 N ATOM 227 CA PHE A 18 -3.636 12.257 5.583 1.00 0.00 C ATOM 228 C PHE A 18 -3.836 10.866 6.178 1.00 0.00 C ATOM 229 O PHE A 18 -4.921 10.534 6.658 1.00 0.00 O ATOM 230 CB PHE A 18 -3.698 13.312 6.689 1.00 0.00 C ATOM 231 CG PHE A 18 -3.505 14.716 6.191 1.00 0.00 C ATOM 232 CD1 PHE A 18 -4.583 15.455 5.731 1.00 0.00 C ATOM 233 CD2 PHE A 18 -2.247 15.295 6.182 1.00 0.00 C ATOM 234 CE1 PHE A 18 -4.409 16.748 5.272 1.00 0.00 C ATOM 235 CE2 PHE A 18 -2.067 16.587 5.725 1.00 0.00 C ATOM 236 CZ PHE A 18 -3.150 17.314 5.268 1.00 0.00 C ATOM 0 H PHE A 18 -5.224 13.348 4.756 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.654 12.293 5.112 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.663 13.243 7.192 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.934 13.091 7.434 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.570 15.017 5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.397 14.731 6.536 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.257 17.314 4.917 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.081 17.028 5.725 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.012 18.323 4.908 1.00 0.00 H new ATOM 246 N CYS A 19 -2.783 10.057 6.142 1.00 0.00 N ATOM 247 CA CYS A 19 -2.842 8.702 6.676 1.00 0.00 C ATOM 248 C CYS A 19 -3.323 8.708 8.125 1.00 0.00 C ATOM 249 O CYS A 19 -3.039 9.638 8.879 1.00 0.00 O ATOM 250 CB CYS A 19 -1.467 8.036 6.587 1.00 0.00 C ATOM 251 SG CYS A 19 -1.390 6.384 7.351 1.00 0.00 S ATOM 0 H CYS A 19 -1.878 10.316 5.749 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.554 8.133 6.078 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.183 7.953 5.538 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.731 8.681 7.067 1.00 0.00 H new ATOM 256 N GLU A 20 -4.053 7.664 8.505 1.00 0.00 N ATOM 257 CA GLU A 20 -4.574 7.550 9.862 1.00 0.00 C ATOM 258 C GLU A 20 -3.689 6.640 10.710 1.00 0.00 C ATOM 259 O GLU A 20 -3.397 6.944 11.866 1.00 0.00 O ATOM 260 CB GLU A 20 -6.005 7.010 9.839 1.00 0.00 C ATOM 261 CG GLU A 20 -7.049 8.067 9.518 1.00 0.00 C ATOM 262 CD GLU A 20 -7.531 8.805 10.753 1.00 0.00 C ATOM 263 OE1 GLU A 20 -7.693 8.154 11.806 1.00 0.00 O ATOM 264 OE2 GLU A 20 -7.746 10.032 10.665 1.00 0.00 O ATOM 0 H GLU A 20 -4.297 6.886 7.893 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.576 8.545 10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.071 6.210 9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.233 6.568 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.630 8.784 8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.900 7.595 9.026 1.00 0.00 H new ATOM 271 N ILE A 21 -3.267 5.524 10.125 1.00 0.00 N ATOM 272 CA ILE A 21 -2.416 4.570 10.826 1.00 0.00 C ATOM 273 C ILE A 21 -1.316 5.283 11.605 1.00 0.00 C ATOM 274 O ILE A 21 -1.255 5.200 12.832 1.00 0.00 O ATOM 275 CB ILE A 21 -1.772 3.568 9.850 1.00 0.00 C ATOM 276 CG1 ILE A 21 -2.851 2.816 9.070 1.00 0.00 C ATOM 277 CG2 ILE A 21 -0.880 2.593 10.605 1.00 0.00 C ATOM 278 CD1 ILE A 21 -2.296 1.846 8.050 1.00 0.00 C ATOM 0 H ILE A 21 -3.500 5.258 9.168 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.056 4.027 11.521 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.156 4.120 9.140 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.482 2.271 9.772 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.490 3.538 8.562 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.432 1.891 9.902 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.093 3.144 11.120 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.476 2.045 11.335 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.118 1.349 7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.689 2.388 7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.680 1.101 8.554 1.00 0.00 H new ATOM 290 N CYS A 22 -0.450 5.987 10.884 1.00 0.00 N ATOM 291 CA CYS A 22 0.648 6.717 11.506 1.00 0.00 C ATOM 292 C CYS A 22 0.316 8.202 11.624 1.00 0.00 C ATOM 293 O CYS A 22 0.592 8.831 12.644 1.00 0.00 O ATOM 294 CB CYS A 22 1.934 6.533 10.697 1.00 0.00 C ATOM 295 SG CYS A 22 1.905 7.337 9.063 1.00 0.00 S ATOM 0 H CYS A 22 -0.487 6.067 9.868 1.00 0.00 H new ATOM 0 HA CYS A 22 0.797 6.315 12.508 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.772 6.930 11.271 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.117 5.467 10.562 1.00 0.00 H new ATOM 300 N GLY A 23 -0.279 8.755 10.571 1.00 0.00 N ATOM 301 CA GLY A 23 -0.639 10.160 10.576 1.00 0.00 C ATOM 302 C GLY A 23 -0.049 10.915 9.401 1.00 0.00 C ATOM 303 O GLY A 23 -0.727 11.726 8.772 1.00 0.00 O ATOM 0 H GLY A 23 -0.518 8.254 9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.725 10.254 10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.297 10.616 11.505 1.00 0.00 H new ATOM 307 N ASP A 24 1.219 10.648 9.106 1.00 0.00 N ATOM 308 CA ASP A 24 1.901 11.308 7.999 1.00 0.00 C ATOM 309 C ASP A 24 0.952 11.518 6.823 1.00 0.00 C ATOM 310 O ASP A 24 0.078 10.691 6.564 1.00 0.00 O ATOM 311 CB ASP A 24 3.110 10.485 7.554 1.00 0.00 C ATOM 312 CG ASP A 24 4.196 10.432 8.610 1.00 0.00 C ATOM 313 OD1 ASP A 24 3.855 10.364 9.810 1.00 0.00 O ATOM 314 OD2 ASP A 24 5.388 10.458 8.238 1.00 0.00 O ATOM 0 H ASP A 24 1.795 9.979 9.618 1.00 0.00 H new ATOM 0 HA ASP A 24 2.243 12.284 8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.788 9.471 7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.519 10.912 6.638 1.00 0.00 H new ATOM 319 N GLN A 25 1.130 12.629 6.117 1.00 0.00 N ATOM 320 CA GLN A 25 0.287 12.948 4.970 1.00 0.00 C ATOM 321 C GLN A 25 0.580 12.011 3.803 1.00 0.00 C ATOM 322 O GLN A 25 1.705 11.957 3.305 1.00 0.00 O ATOM 323 CB GLN A 25 0.503 14.400 4.540 1.00 0.00 C ATOM 324 CG GLN A 25 -0.277 14.788 3.294 1.00 0.00 C ATOM 325 CD GLN A 25 0.260 16.044 2.637 1.00 0.00 C ATOM 326 OE1 GLN A 25 0.065 17.152 3.136 1.00 0.00 O ATOM 327 NE2 GLN A 25 0.942 15.877 1.509 1.00 0.00 N ATOM 0 H GLN A 25 1.850 13.323 6.318 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.753 12.815 5.267 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.215 15.059 5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.565 14.562 4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.244 13.966 2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.324 14.940 3.558 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.080 14.940 1.130 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.328 16.686 1.022 1.00 0.00 H new ATOM 336 N ILE A 26 -0.439 11.275 3.372 1.00 0.00 N ATOM 337 CA ILE A 26 -0.291 10.340 2.263 1.00 0.00 C ATOM 338 C ILE A 26 0.129 11.063 0.988 1.00 0.00 C ATOM 339 O ILE A 26 -0.634 11.848 0.427 1.00 0.00 O ATOM 340 CB ILE A 26 -1.598 9.571 1.997 1.00 0.00 C ATOM 341 CG1 ILE A 26 -1.991 8.749 3.227 1.00 0.00 C ATOM 342 CG2 ILE A 26 -1.445 8.672 0.780 1.00 0.00 C ATOM 343 CD1 ILE A 26 -3.321 8.042 3.081 1.00 0.00 C ATOM 0 H ILE A 26 -1.376 11.308 3.774 1.00 0.00 H new ATOM 0 HA ILE A 26 0.486 9.631 2.549 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.391 10.291 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.215 8.009 3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.031 9.406 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.377 8.135 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.206 9.279 -0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.642 7.957 0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.536 7.479 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.108 8.778 2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.279 7.359 2.233 1.00 0.00 H new ATOM 355 N GLY A 27 1.349 10.791 0.534 1.00 0.00 N ATOM 356 CA GLY A 27 1.849 11.422 -0.674 1.00 0.00 C ATOM 357 C GLY A 27 1.084 10.995 -1.910 1.00 0.00 C ATOM 358 O GLY A 27 -0.134 10.814 -1.865 1.00 0.00 O ATOM 0 H GLY A 27 2.000 10.145 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.786 12.505 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.903 11.175 -0.800 1.00 0.00 H new ATOM 362 N LEU A 28 1.798 10.834 -3.019 1.00 0.00 N ATOM 363 CA LEU A 28 1.178 10.427 -4.276 1.00 0.00 C ATOM 364 C LEU A 28 1.764 9.108 -4.770 1.00 0.00 C ATOM 365 O LEU A 28 2.722 8.588 -4.197 1.00 0.00 O ATOM 366 CB LEU A 28 1.370 11.512 -5.337 1.00 0.00 C ATOM 367 CG LEU A 28 0.869 12.908 -4.966 1.00 0.00 C ATOM 368 CD1 LEU A 28 1.339 13.932 -5.987 1.00 0.00 C ATOM 369 CD2 LEU A 28 -0.649 12.919 -4.858 1.00 0.00 C ATOM 0 H LEU A 28 2.806 10.979 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 28 0.112 10.286 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.432 11.579 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.862 11.195 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 28 1.285 13.176 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.973 14.920 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.429 13.943 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.953 13.668 -6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.988 13.921 -4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.084 12.630 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.964 12.214 -4.089 1.00 0.00 H new ATOM 381 N THR A 29 1.183 8.571 -5.838 1.00 0.00 N ATOM 382 CA THR A 29 1.648 7.314 -6.410 1.00 0.00 C ATOM 383 C THR A 29 2.795 7.545 -7.388 1.00 0.00 C ATOM 384 O THR A 29 3.193 8.683 -7.635 1.00 0.00 O ATOM 385 CB THR A 29 0.510 6.573 -7.138 1.00 0.00 C ATOM 386 OG1 THR A 29 0.259 7.186 -8.407 1.00 0.00 O ATOM 387 CG2 THR A 29 -0.762 6.584 -6.304 1.00 0.00 C ATOM 0 H THR A 29 0.389 8.987 -6.324 1.00 0.00 H new ATOM 0 HA THR A 29 1.999 6.701 -5.580 1.00 0.00 H new ATOM 0 HB THR A 29 0.818 5.539 -7.290 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.550 6.799 -8.803 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.552 6.055 -6.838 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.576 6.091 -5.350 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.071 7.614 -6.126 1.00 0.00 H new ATOM 395 N VAL A 30 3.322 6.458 -7.942 1.00 0.00 N ATOM 396 CA VAL A 30 4.422 6.543 -8.895 1.00 0.00 C ATOM 397 C VAL A 30 4.087 7.493 -10.039 1.00 0.00 C ATOM 398 O VAL A 30 4.955 8.208 -10.539 1.00 0.00 O ATOM 399 CB VAL A 30 4.769 5.159 -9.476 1.00 0.00 C ATOM 400 CG1 VAL A 30 5.949 5.261 -10.430 1.00 0.00 C ATOM 401 CG2 VAL A 30 5.062 4.170 -8.358 1.00 0.00 C ATOM 0 H VAL A 30 3.005 5.508 -7.747 1.00 0.00 H new ATOM 0 HA VAL A 30 5.284 6.927 -8.349 1.00 0.00 H new ATOM 0 HB VAL A 30 3.909 4.794 -10.037 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.180 4.274 -10.830 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.698 5.935 -11.249 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.817 5.647 -9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.305 3.198 -8.787 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.906 4.528 -7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.185 4.075 -7.717 1.00 0.00 H new ATOM 411 N GLU A 31 2.822 7.494 -10.449 1.00 0.00 N ATOM 412 CA GLU A 31 2.373 8.357 -11.535 1.00 0.00 C ATOM 413 C GLU A 31 2.197 9.794 -11.051 1.00 0.00 C ATOM 414 O GLU A 31 2.744 10.728 -11.636 1.00 0.00 O ATOM 415 CB GLU A 31 1.056 7.839 -12.116 1.00 0.00 C ATOM 416 CG GLU A 31 1.205 6.551 -12.908 1.00 0.00 C ATOM 417 CD GLU A 31 -0.109 5.812 -13.073 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.965 5.916 -12.170 1.00 0.00 O ATOM 419 OE2 GLU A 31 -0.281 5.130 -14.105 1.00 0.00 O ATOM 0 H GLU A 31 2.091 6.908 -10.046 1.00 0.00 H new ATOM 0 HA GLU A 31 3.136 8.345 -12.314 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.349 7.676 -11.303 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.627 8.605 -12.762 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.615 6.779 -13.892 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.922 5.901 -12.406 1.00 0.00 H new ATOM 426 N GLY A 32 1.430 9.962 -9.979 1.00 0.00 N ATOM 427 CA GLY A 32 1.195 11.287 -9.434 1.00 0.00 C ATOM 428 C GLY A 32 -0.159 11.407 -8.765 1.00 0.00 C ATOM 429 O GLY A 32 -0.439 12.395 -8.087 1.00 0.00 O ATOM 0 H GLY A 32 0.967 9.204 -9.477 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.976 11.523 -8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.268 12.024 -10.234 1.00 0.00 H new ATOM 433 N ASP A 33 -1.003 10.399 -8.957 1.00 0.00 N ATOM 434 CA ASP A 33 -2.337 10.396 -8.367 1.00 0.00 C ATOM 435 C ASP A 33 -2.267 10.124 -6.867 1.00 0.00 C ATOM 436 O ASP A 33 -1.184 9.951 -6.307 1.00 0.00 O ATOM 437 CB ASP A 33 -3.217 9.347 -9.048 1.00 0.00 C ATOM 438 CG ASP A 33 -3.069 7.973 -8.423 1.00 0.00 C ATOM 439 OD1 ASP A 33 -2.180 7.215 -8.862 1.00 0.00 O ATOM 440 OD2 ASP A 33 -3.843 7.657 -7.495 1.00 0.00 O ATOM 0 H ASP A 33 -0.787 9.574 -9.516 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.777 11.382 -8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.260 9.659 -8.990 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.959 9.292 -10.106 1.00 0.00 H new ATOM 445 N LEU A 34 -3.429 10.088 -6.223 1.00 0.00 N ATOM 446 CA LEU A 34 -3.500 9.838 -4.788 1.00 0.00 C ATOM 447 C LEU A 34 -3.409 8.344 -4.490 1.00 0.00 C ATOM 448 O LEU A 34 -4.141 7.540 -5.067 1.00 0.00 O ATOM 449 CB LEU A 34 -4.800 10.405 -4.215 1.00 0.00 C ATOM 450 CG LEU A 34 -4.851 10.563 -2.695 1.00 0.00 C ATOM 451 CD1 LEU A 34 -4.768 9.206 -2.014 1.00 0.00 C ATOM 452 CD2 LEU A 34 -3.729 11.472 -2.215 1.00 0.00 C ATOM 0 H LEU A 34 -4.334 10.229 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.654 10.337 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.978 11.380 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.621 9.757 -4.521 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.803 11.023 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.806 9.339 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.606 8.587 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.832 8.718 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.781 11.573 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.767 11.041 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.834 12.454 -2.676 1.00 0.00 H new ATOM 464 N PHE A 35 -2.507 7.981 -3.584 1.00 0.00 N ATOM 465 CA PHE A 35 -2.322 6.584 -3.208 1.00 0.00 C ATOM 466 C PHE A 35 -3.515 6.073 -2.406 1.00 0.00 C ATOM 467 O PHE A 35 -3.571 6.230 -1.187 1.00 0.00 O ATOM 468 CB PHE A 35 -1.037 6.420 -2.394 1.00 0.00 C ATOM 469 CG PHE A 35 -0.717 4.990 -2.061 1.00 0.00 C ATOM 470 CD1 PHE A 35 -0.656 4.030 -3.058 1.00 0.00 C ATOM 471 CD2 PHE A 35 -0.475 4.607 -0.752 1.00 0.00 C ATOM 472 CE1 PHE A 35 -0.363 2.714 -2.755 1.00 0.00 C ATOM 473 CE2 PHE A 35 -0.181 3.292 -0.442 1.00 0.00 C ATOM 474 CZ PHE A 35 -0.123 2.345 -1.446 1.00 0.00 C ATOM 0 H PHE A 35 -1.893 8.634 -3.097 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.243 5.995 -4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.205 6.850 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.127 6.989 -1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.840 4.313 -4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.516 5.344 0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.322 1.975 -3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.003 3.006 0.583 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.110 1.318 -1.208 1.00 0.00 H new ATOM 484 N VAL A 36 -4.469 5.461 -3.101 1.00 0.00 N ATOM 485 CA VAL A 36 -5.661 4.926 -2.455 1.00 0.00 C ATOM 486 C VAL A 36 -5.430 3.500 -1.968 1.00 0.00 C ATOM 487 O VAL A 36 -5.625 2.540 -2.713 1.00 0.00 O ATOM 488 CB VAL A 36 -6.871 4.941 -3.408 1.00 0.00 C ATOM 489 CG1 VAL A 36 -8.093 4.339 -2.731 1.00 0.00 C ATOM 490 CG2 VAL A 36 -7.158 6.358 -3.882 1.00 0.00 C ATOM 0 H VAL A 36 -4.439 5.324 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.873 5.569 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.632 4.332 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.937 4.359 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.881 3.308 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.338 4.918 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.016 6.350 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.376 6.992 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.288 6.749 -4.409 1.00 0.00 H new ATOM 500 N ALA A 37 -5.014 3.370 -0.713 1.00 0.00 N ATOM 501 CA ALA A 37 -4.758 2.061 -0.125 1.00 0.00 C ATOM 502 C ALA A 37 -6.025 1.213 -0.101 1.00 0.00 C ATOM 503 O ALA A 37 -5.995 0.024 -0.423 1.00 0.00 O ATOM 504 CB ALA A 37 -4.196 2.214 1.281 1.00 0.00 C ATOM 0 H ALA A 37 -4.847 4.155 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.021 1.550 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.010 1.228 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.262 2.774 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.913 2.749 1.903 1.00 0.00 H new ATOM 510 N CYS A 38 -7.137 1.830 0.283 1.00 0.00 N ATOM 511 CA CYS A 38 -8.415 1.132 0.350 1.00 0.00 C ATOM 512 C CYS A 38 -9.500 1.911 -0.389 1.00 0.00 C ATOM 513 O CYS A 38 -9.490 3.141 -0.410 1.00 0.00 O ATOM 514 CB CYS A 38 -8.828 0.920 1.808 1.00 0.00 C ATOM 515 SG CYS A 38 -10.334 -0.083 2.016 1.00 0.00 S ATOM 0 H CYS A 38 -7.179 2.813 0.553 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.296 0.162 -0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.008 0.439 2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.985 1.892 2.275 1.00 0.00 H new ATOM 520 N ASN A 39 -10.435 1.184 -0.992 1.00 0.00 N ATOM 521 CA ASN A 39 -11.527 1.806 -1.733 1.00 0.00 C ATOM 522 C ASN A 39 -12.877 1.425 -1.133 1.00 0.00 C ATOM 523 O ASN A 39 -13.778 2.257 -1.030 1.00 0.00 O ATOM 524 CB ASN A 39 -11.474 1.392 -3.204 1.00 0.00 C ATOM 525 CG ASN A 39 -12.773 1.680 -3.933 1.00 0.00 C ATOM 526 OD1 ASN A 39 -13.510 2.597 -3.571 1.00 0.00 O ATOM 527 ND2 ASN A 39 -13.058 0.896 -4.966 1.00 0.00 N ATOM 0 H ASN A 39 -10.459 0.164 -0.982 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.411 2.888 -1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.658 1.920 -3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.251 0.327 -3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.918 1.042 -5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.417 0.148 -5.230 1.00 0.00 H new ATOM 534 N GLU A 40 -13.008 0.162 -0.740 1.00 0.00 N ATOM 535 CA GLU A 40 -14.249 -0.328 -0.151 1.00 0.00 C ATOM 536 C GLU A 40 -14.771 0.642 0.905 1.00 0.00 C ATOM 537 O GLU A 40 -15.848 1.221 0.754 1.00 0.00 O ATOM 538 CB GLU A 40 -14.032 -1.709 0.473 1.00 0.00 C ATOM 539 CG GLU A 40 -15.281 -2.575 0.482 1.00 0.00 C ATOM 540 CD GLU A 40 -15.541 -3.237 -0.857 1.00 0.00 C ATOM 541 OE1 GLU A 40 -15.614 -2.515 -1.873 1.00 0.00 O ATOM 542 OE2 GLU A 40 -15.673 -4.479 -0.889 1.00 0.00 O ATOM 0 H GLU A 40 -12.272 -0.539 -0.819 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.991 -0.407 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.245 -2.227 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.679 -1.585 1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.181 -3.343 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.141 -1.963 0.754 1.00 0.00 H new ATOM 549 N CYS A 41 -14.001 0.815 1.974 1.00 0.00 N ATOM 550 CA CYS A 41 -14.385 1.713 3.056 1.00 0.00 C ATOM 551 C CYS A 41 -13.728 3.080 2.886 1.00 0.00 C ATOM 552 O CYS A 41 -14.342 4.113 3.153 1.00 0.00 O ATOM 553 CB CYS A 41 -13.995 1.113 4.408 1.00 0.00 C ATOM 554 SG CYS A 41 -12.302 1.520 4.942 1.00 0.00 S ATOM 0 H CYS A 41 -13.107 0.345 2.114 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.467 1.841 3.022 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.697 1.463 5.165 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -14.097 0.029 4.355 1.00 0.00 H new ATOM 559 N GLY A 42 -12.476 3.078 2.440 1.00 0.00 N ATOM 560 CA GLY A 42 -11.757 4.323 2.242 1.00 0.00 C ATOM 561 C GLY A 42 -10.801 4.628 3.379 1.00 0.00 C ATOM 562 O GLY A 42 -10.656 5.780 3.786 1.00 0.00 O ATOM 0 H GLY A 42 -11.947 2.236 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.200 4.272 1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.472 5.140 2.143 1.00 0.00 H new ATOM 566 N PHE A 43 -10.148 3.591 3.894 1.00 0.00 N ATOM 567 CA PHE A 43 -9.203 3.753 4.993 1.00 0.00 C ATOM 568 C PHE A 43 -7.895 4.367 4.500 1.00 0.00 C ATOM 569 O PHE A 43 -7.206 3.816 3.642 1.00 0.00 O ATOM 570 CB PHE A 43 -8.926 2.404 5.659 1.00 0.00 C ATOM 571 CG PHE A 43 -8.138 2.514 6.933 1.00 0.00 C ATOM 572 CD1 PHE A 43 -8.545 3.371 7.943 1.00 0.00 C ATOM 573 CD2 PHE A 43 -6.990 1.760 7.120 1.00 0.00 C ATOM 574 CE1 PHE A 43 -7.821 3.475 9.115 1.00 0.00 C ATOM 575 CE2 PHE A 43 -6.262 1.860 8.291 1.00 0.00 C ATOM 576 CZ PHE A 43 -6.679 2.718 9.290 1.00 0.00 C ATOM 0 H PHE A 43 -10.256 2.630 3.568 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.648 4.427 5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.875 1.910 5.870 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.384 1.767 4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.438 3.964 7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.661 1.087 6.342 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.148 4.148 9.894 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.369 1.268 8.425 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.113 2.797 10.206 1.00 0.00 H new ATOM 586 N PRO A 44 -7.546 5.537 5.055 1.00 0.00 N ATOM 587 CA PRO A 44 -6.320 6.252 4.688 1.00 0.00 C ATOM 588 C PRO A 44 -5.064 5.536 5.172 1.00 0.00 C ATOM 589 O PRO A 44 -4.910 5.269 6.363 1.00 0.00 O ATOM 590 CB PRO A 44 -6.471 7.602 5.395 1.00 0.00 C ATOM 591 CG PRO A 44 -7.376 7.327 6.547 1.00 0.00 C ATOM 592 CD PRO A 44 -8.320 6.252 6.084 1.00 0.00 C ATOM 0 HA PRO A 44 -6.203 6.332 3.607 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.507 7.983 5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.895 8.353 4.728 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.810 7.000 7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.920 8.225 6.839 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.608 5.591 6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.239 6.673 5.675 1.00 0.00 H new ATOM 600 N ALA A 45 -4.168 5.227 4.239 1.00 0.00 N ATOM 601 CA ALA A 45 -2.924 4.544 4.572 1.00 0.00 C ATOM 602 C ALA A 45 -1.826 4.885 3.570 1.00 0.00 C ATOM 603 O ALA A 45 -1.916 4.538 2.392 1.00 0.00 O ATOM 604 CB ALA A 45 -3.146 3.039 4.622 1.00 0.00 C ATOM 0 H ALA A 45 -4.281 5.439 3.248 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.602 4.886 5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.209 2.541 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.894 2.807 5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.494 2.690 3.650 1.00 0.00 H new ATOM 610 N CYS A 46 -0.790 5.568 4.045 1.00 0.00 N ATOM 611 CA CYS A 46 0.326 5.958 3.192 1.00 0.00 C ATOM 612 C CYS A 46 0.949 4.738 2.520 1.00 0.00 C ATOM 613 O CYS A 46 0.454 3.620 2.659 1.00 0.00 O ATOM 614 CB CYS A 46 1.384 6.701 4.009 1.00 0.00 C ATOM 615 SG CYS A 46 2.037 5.750 5.419 1.00 0.00 S ATOM 0 H CYS A 46 -0.700 5.863 5.017 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.056 6.622 2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.211 6.971 3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.954 7.631 4.380 1.00 0.00 H new ATOM 620 N ARG A 47 2.038 4.962 1.792 1.00 0.00 N ATOM 621 CA ARG A 47 2.729 3.882 1.099 1.00 0.00 C ATOM 622 C ARG A 47 3.394 2.935 2.093 1.00 0.00 C ATOM 623 O ARG A 47 3.190 1.721 2.063 1.00 0.00 O ATOM 624 CB ARG A 47 3.777 4.451 0.141 1.00 0.00 C ATOM 625 CG ARG A 47 3.895 3.677 -1.162 1.00 0.00 C ATOM 626 CD ARG A 47 4.298 4.585 -2.314 1.00 0.00 C ATOM 627 NE ARG A 47 5.193 5.654 -1.882 1.00 0.00 N ATOM 628 CZ ARG A 47 6.019 6.297 -2.700 1.00 0.00 C ATOM 629 NH1 ARG A 47 6.061 5.982 -3.987 1.00 0.00 N ATOM 630 NH2 ARG A 47 6.803 7.259 -2.231 1.00 0.00 N ATOM 0 H ARG A 47 2.461 5.882 1.667 1.00 0.00 H new ATOM 0 HA ARG A 47 1.990 3.320 0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.527 5.488 -0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.747 4.458 0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.632 2.882 -1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.942 3.199 -1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.787 3.993 -3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.405 5.020 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 47 5.184 5.922 -0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.458 5.244 -4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.696 6.477 -4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.772 7.505 -1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.437 7.752 -2.860 1.00 0.00 H new ATOM 644 N PRO A 48 4.209 3.501 2.996 1.00 0.00 N ATOM 645 CA PRO A 48 4.920 2.725 4.016 1.00 0.00 C ATOM 646 C PRO A 48 3.979 2.159 5.074 1.00 0.00 C ATOM 647 O PRO A 48 4.419 1.706 6.132 1.00 0.00 O ATOM 648 CB PRO A 48 5.873 3.748 4.639 1.00 0.00 C ATOM 649 CG PRO A 48 5.220 5.066 4.403 1.00 0.00 C ATOM 650 CD PRO A 48 4.498 4.941 3.090 1.00 0.00 C ATOM 0 HA PRO A 48 5.424 1.857 3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.014 3.561 5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.858 3.705 4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.526 5.308 5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.959 5.867 4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.585 5.536 3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.114 5.282 2.258 1.00 0.00 H new ATOM 658 N CYS A 49 2.683 2.187 4.783 1.00 0.00 N ATOM 659 CA CYS A 49 1.680 1.677 5.710 1.00 0.00 C ATOM 660 C CYS A 49 0.873 0.549 5.072 1.00 0.00 C ATOM 661 O CYS A 49 0.517 -0.425 5.735 1.00 0.00 O ATOM 662 CB CYS A 49 0.742 2.804 6.149 1.00 0.00 C ATOM 663 SG CYS A 49 1.255 3.642 7.683 1.00 0.00 S ATOM 0 H CYS A 49 2.303 2.558 3.912 1.00 0.00 H new ATOM 0 HA CYS A 49 2.197 1.281 6.584 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.678 3.541 5.349 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.259 2.396 6.288 1.00 0.00 H new ATOM 668 N TYR A 50 0.590 0.689 3.782 1.00 0.00 N ATOM 669 CA TYR A 50 -0.176 -0.316 3.054 1.00 0.00 C ATOM 670 C TYR A 50 0.719 -1.472 2.618 1.00 0.00 C ATOM 671 O TYR A 50 0.401 -2.638 2.850 1.00 0.00 O ATOM 672 CB TYR A 50 -0.849 0.311 1.832 1.00 0.00 C ATOM 673 CG TYR A 50 -1.479 -0.701 0.902 1.00 0.00 C ATOM 674 CD1 TYR A 50 -0.697 -1.467 0.046 1.00 0.00 C ATOM 675 CD2 TYR A 50 -2.855 -0.891 0.879 1.00 0.00 C ATOM 676 CE1 TYR A 50 -1.268 -2.392 -0.807 1.00 0.00 C ATOM 677 CE2 TYR A 50 -3.434 -1.815 0.031 1.00 0.00 C ATOM 678 CZ TYR A 50 -2.637 -2.563 -0.810 1.00 0.00 C ATOM 679 OH TYR A 50 -3.209 -3.484 -1.657 1.00 0.00 O ATOM 0 H TYR A 50 0.879 1.489 3.219 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.943 -0.706 3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.615 1.009 2.168 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.110 0.890 1.278 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.375 -1.337 0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.483 -0.306 1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.646 -2.978 -1.468 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.505 -1.951 0.027 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.505 -3.962 -2.144 1.00 0.00 H new ATOM 689 N GLU A 51 1.840 -1.138 1.986 1.00 0.00 N ATOM 690 CA GLU A 51 2.782 -2.149 1.518 1.00 0.00 C ATOM 691 C GLU A 51 3.165 -3.101 2.647 1.00 0.00 C ATOM 692 O GLU A 51 3.376 -4.293 2.424 1.00 0.00 O ATOM 693 CB GLU A 51 4.037 -1.483 0.949 1.00 0.00 C ATOM 694 CG GLU A 51 3.821 -0.838 -0.410 1.00 0.00 C ATOM 695 CD GLU A 51 5.123 -0.492 -1.105 1.00 0.00 C ATOM 696 OE1 GLU A 51 6.158 -1.104 -0.766 1.00 0.00 O ATOM 697 OE2 GLU A 51 5.107 0.390 -1.988 1.00 0.00 O ATOM 0 H GLU A 51 2.118 -0.177 1.786 1.00 0.00 H new ATOM 0 HA GLU A 51 2.296 -2.725 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.385 -0.725 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.828 -2.228 0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.245 -1.514 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.227 0.068 -0.288 1.00 0.00 H new ATOM 704 N TYR A 52 3.254 -2.565 3.859 1.00 0.00 N ATOM 705 CA TYR A 52 3.615 -3.365 5.024 1.00 0.00 C ATOM 706 C TYR A 52 2.443 -4.234 5.473 1.00 0.00 C ATOM 707 O TYR A 52 2.609 -5.419 5.759 1.00 0.00 O ATOM 708 CB TYR A 52 4.062 -2.460 6.172 1.00 0.00 C ATOM 709 CG TYR A 52 3.789 -3.039 7.542 1.00 0.00 C ATOM 710 CD1 TYR A 52 4.722 -3.851 8.174 1.00 0.00 C ATOM 711 CD2 TYR A 52 2.597 -2.773 8.205 1.00 0.00 C ATOM 712 CE1 TYR A 52 4.476 -4.383 9.425 1.00 0.00 C ATOM 713 CE2 TYR A 52 2.342 -3.299 9.457 1.00 0.00 C ATOM 714 CZ TYR A 52 3.285 -4.104 10.062 1.00 0.00 C ATOM 715 OH TYR A 52 3.036 -4.630 11.309 1.00 0.00 O ATOM 0 H TYR A 52 3.081 -1.580 4.061 1.00 0.00 H new ATOM 0 HA TYR A 52 4.441 -4.018 4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.130 -2.266 6.075 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.554 -1.499 6.085 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.656 -4.070 7.679 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.857 -2.144 7.733 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.212 -5.014 9.901 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.411 -3.081 9.959 1.00 0.00 H new ATOM 0 HH TYR A 52 2.154 -4.336 11.618 1.00 0.00 H new ATOM 725 N GLU A 53 1.258 -3.633 5.530 1.00 0.00 N ATOM 726 CA GLU A 53 0.058 -4.351 5.944 1.00 0.00 C ATOM 727 C GLU A 53 -0.129 -5.619 5.117 1.00 0.00 C ATOM 728 O GLU A 53 -0.729 -6.591 5.578 1.00 0.00 O ATOM 729 CB GLU A 53 -1.173 -3.453 5.807 1.00 0.00 C ATOM 730 CG GLU A 53 -2.463 -4.114 6.263 1.00 0.00 C ATOM 731 CD GLU A 53 -2.733 -3.910 7.741 1.00 0.00 C ATOM 732 OE1 GLU A 53 -2.794 -2.742 8.178 1.00 0.00 O ATOM 733 OE2 GLU A 53 -2.883 -4.920 8.461 1.00 0.00 O ATOM 0 H GLU A 53 1.104 -2.652 5.295 1.00 0.00 H new ATOM 0 HA GLU A 53 0.177 -4.634 6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.016 -2.544 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.278 -3.151 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.296 -3.712 5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.414 -5.182 6.051 1.00 0.00 H new ATOM 740 N ARG A 54 0.386 -5.602 3.892 1.00 0.00 N ATOM 741 CA ARG A 54 0.274 -6.749 2.999 1.00 0.00 C ATOM 742 C ARG A 54 1.531 -7.612 3.063 1.00 0.00 C ATOM 743 O ARG A 54 1.489 -8.809 2.777 1.00 0.00 O ATOM 744 CB ARG A 54 0.035 -6.282 1.562 1.00 0.00 C ATOM 745 CG ARG A 54 -1.436 -6.158 1.199 1.00 0.00 C ATOM 746 CD ARG A 54 -1.617 -5.611 -0.209 1.00 0.00 C ATOM 747 NE ARG A 54 -1.505 -6.658 -1.221 1.00 0.00 N ATOM 748 CZ ARG A 54 -0.352 -7.032 -1.766 1.00 0.00 C ATOM 749 NH1 ARG A 54 0.780 -6.449 -1.397 1.00 0.00 N ATOM 750 NH2 ARG A 54 -0.331 -7.992 -2.682 1.00 0.00 N ATOM 0 H ARG A 54 0.885 -4.806 3.495 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.575 -7.350 3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.519 -5.316 1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.512 -6.983 0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.915 -7.134 1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.934 -5.502 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.593 -5.132 -0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.868 -4.842 -0.398 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.358 -7.128 -1.526 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.768 -5.711 -0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.663 -6.738 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.200 -8.443 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.554 -8.279 -3.100 1.00 0.00 H new ATOM 764 N ARG A 55 2.647 -6.996 3.438 1.00 0.00 N ATOM 765 CA ARG A 55 3.916 -7.707 3.537 1.00 0.00 C ATOM 766 C ARG A 55 4.012 -8.465 4.858 1.00 0.00 C ATOM 767 O ARG A 55 3.954 -9.694 4.885 1.00 0.00 O ATOM 768 CB ARG A 55 5.085 -6.729 3.412 1.00 0.00 C ATOM 769 CG ARG A 55 6.387 -7.386 2.985 1.00 0.00 C ATOM 770 CD ARG A 55 6.943 -8.283 4.079 1.00 0.00 C ATOM 771 NE ARG A 55 8.201 -8.912 3.685 1.00 0.00 N ATOM 772 CZ ARG A 55 8.663 -10.034 4.226 1.00 0.00 C ATOM 773 NH1 ARG A 55 7.974 -10.648 5.177 1.00 0.00 N ATOM 774 NH2 ARG A 55 9.817 -10.544 3.814 1.00 0.00 N ATOM 0 H ARG A 55 2.698 -6.006 3.678 1.00 0.00 H new ATOM 0 HA ARG A 55 3.965 -8.427 2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.825 -5.955 2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.236 -6.232 4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.221 -7.973 2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.119 -6.618 2.736 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.099 -7.696 4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.212 -9.055 4.321 1.00 0.00 H new ATOM 0 HE ARG A 55 8.755 -8.465 2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.086 -10.259 5.496 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.331 -11.509 5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.350 -10.074 3.082 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.171 -11.405 4.230 1.00 0.00 H new ATOM 788 N GLU A 56 4.162 -7.723 5.951 1.00 0.00 N ATOM 789 CA GLU A 56 4.268 -8.326 7.274 1.00 0.00 C ATOM 790 C GLU A 56 2.916 -8.324 7.983 1.00 0.00 C ATOM 791 O GLU A 56 2.718 -9.035 8.968 1.00 0.00 O ATOM 792 CB GLU A 56 5.300 -7.576 8.120 1.00 0.00 C ATOM 793 CG GLU A 56 6.696 -7.582 7.522 1.00 0.00 C ATOM 794 CD GLU A 56 7.037 -6.281 6.821 1.00 0.00 C ATOM 795 OE1 GLU A 56 6.118 -5.657 6.251 1.00 0.00 O ATOM 796 OE2 GLU A 56 8.222 -5.888 6.843 1.00 0.00 O ATOM 0 H GLU A 56 4.213 -6.704 5.946 1.00 0.00 H new ATOM 0 HA GLU A 56 4.592 -9.359 7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.973 -6.544 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.337 -8.023 9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.424 -7.766 8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.780 -8.405 6.812 1.00 0.00 H new ATOM 803 N GLY A 57 1.988 -7.520 7.474 1.00 0.00 N ATOM 804 CA GLY A 57 0.667 -7.440 8.070 1.00 0.00 C ATOM 805 C GLY A 57 -0.176 -8.664 7.776 1.00 0.00 C ATOM 806 O GLY A 57 0.343 -9.777 7.678 1.00 0.00 O ATOM 0 H GLY A 57 2.127 -6.922 6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.765 -7.321 9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.156 -6.552 7.696 1.00 0.00 H new ATOM 810 N THR A 58 -1.483 -8.462 7.638 1.00 0.00 N ATOM 811 CA THR A 58 -2.401 -9.558 7.357 1.00 0.00 C ATOM 812 C THR A 58 -2.993 -9.435 5.958 1.00 0.00 C ATOM 813 O THR A 58 -3.669 -10.345 5.479 1.00 0.00 O ATOM 814 CB THR A 58 -3.547 -9.608 8.385 1.00 0.00 C ATOM 815 OG1 THR A 58 -4.243 -8.357 8.404 1.00 0.00 O ATOM 816 CG2 THR A 58 -3.014 -9.920 9.775 1.00 0.00 C ATOM 0 H THR A 58 -1.929 -7.548 7.716 1.00 0.00 H new ATOM 0 HA THR A 58 -1.823 -10.480 7.423 1.00 0.00 H new ATOM 0 HB THR A 58 -4.235 -10.401 8.091 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.971 -8.398 9.059 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.842 -9.950 10.484 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.511 -10.887 9.763 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.307 -9.147 10.076 1.00 0.00 H new ATOM 824 N GLN A 59 -2.733 -8.306 5.308 1.00 0.00 N ATOM 825 CA GLN A 59 -3.242 -8.065 3.963 1.00 0.00 C ATOM 826 C GLN A 59 -4.736 -7.760 3.991 1.00 0.00 C ATOM 827 O GLN A 59 -5.448 -8.004 3.018 1.00 0.00 O ATOM 828 CB GLN A 59 -2.974 -9.278 3.069 1.00 0.00 C ATOM 829 CG GLN A 59 -1.605 -9.903 3.286 1.00 0.00 C ATOM 830 CD GLN A 59 -1.595 -11.394 3.012 1.00 0.00 C ATOM 831 OE1 GLN A 59 -2.640 -12.001 2.777 1.00 0.00 O ATOM 832 NE2 GLN A 59 -0.410 -11.993 3.040 1.00 0.00 N ATOM 0 H GLN A 59 -2.173 -7.544 5.690 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.721 -7.199 3.555 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.741 -10.031 3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.066 -8.977 2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.879 -9.413 2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.286 -9.724 4.313 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.431 -11.451 3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.341 -12.995 2.862 1.00 0.00 H new ATOM 841 N ASN A 60 -5.204 -7.225 5.115 1.00 0.00 N ATOM 842 CA ASN A 60 -6.614 -6.887 5.271 1.00 0.00 C ATOM 843 C ASN A 60 -6.776 -5.539 5.966 1.00 0.00 C ATOM 844 O ASN A 60 -6.161 -5.285 7.002 1.00 0.00 O ATOM 845 CB ASN A 60 -7.335 -7.976 6.068 1.00 0.00 C ATOM 846 CG ASN A 60 -6.958 -9.372 5.612 1.00 0.00 C ATOM 847 OD1 ASN A 60 -7.026 -9.688 4.424 1.00 0.00 O ATOM 848 ND2 ASN A 60 -6.559 -10.215 6.557 1.00 0.00 N ATOM 0 H ASN A 60 -4.627 -7.017 5.930 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.059 -6.819 4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.097 -7.866 7.126 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.412 -7.843 5.968 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.293 -11.168 6.311 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.518 -9.909 7.529 1.00 0.00 H new ATOM 855 N CYS A 61 -7.609 -4.679 5.391 1.00 0.00 N ATOM 856 CA CYS A 61 -7.854 -3.357 5.954 1.00 0.00 C ATOM 857 C CYS A 61 -8.265 -3.458 7.420 1.00 0.00 C ATOM 858 O CYS A 61 -9.260 -4.094 7.769 1.00 0.00 O ATOM 859 CB CYS A 61 -8.941 -2.633 5.157 1.00 0.00 C ATOM 860 SG CYS A 61 -9.266 -0.931 5.719 1.00 0.00 S ATOM 0 H CYS A 61 -8.127 -4.874 4.534 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.927 -2.786 5.893 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.651 -2.608 4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.865 -3.207 5.219 1.00 0.00 H new ATOM 865 N PRO A 62 -7.482 -2.817 8.300 1.00 0.00 N ATOM 866 CA PRO A 62 -7.744 -2.819 9.742 1.00 0.00 C ATOM 867 C PRO A 62 -8.984 -2.009 10.107 1.00 0.00 C ATOM 868 O PRO A 62 -9.309 -1.852 11.283 1.00 0.00 O ATOM 869 CB PRO A 62 -6.490 -2.170 10.332 1.00 0.00 C ATOM 870 CG PRO A 62 -5.950 -1.321 9.233 1.00 0.00 C ATOM 871 CD PRO A 62 -6.280 -2.040 7.954 1.00 0.00 C ATOM 0 HA PRO A 62 -7.939 -3.823 10.119 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.730 -1.573 11.212 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.765 -2.922 10.644 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.400 -0.328 9.250 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.874 -1.185 9.338 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.473 -1.342 7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.462 -2.686 7.634 1.00 0.00 H new ATOM 879 N GLN A 63 -9.671 -1.498 9.091 1.00 0.00 N ATOM 880 CA GLN A 63 -10.875 -0.704 9.306 1.00 0.00 C ATOM 881 C GLN A 63 -12.113 -1.447 8.813 1.00 0.00 C ATOM 882 O GLN A 63 -13.162 -1.421 9.456 1.00 0.00 O ATOM 883 CB GLN A 63 -10.757 0.644 8.592 1.00 0.00 C ATOM 884 CG GLN A 63 -12.064 1.418 8.532 1.00 0.00 C ATOM 885 CD GLN A 63 -11.855 2.919 8.523 1.00 0.00 C ATOM 886 OE1 GLN A 63 -11.221 3.474 9.421 1.00 0.00 O ATOM 887 NE2 GLN A 63 -12.386 3.585 7.505 1.00 0.00 N ATOM 0 H GLN A 63 -9.415 -1.619 8.111 1.00 0.00 H new ATOM 0 HA GLN A 63 -10.979 -0.532 10.377 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.008 1.251 9.101 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.396 0.478 7.577 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.613 1.126 7.637 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.682 1.146 9.388 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.904 3.084 6.783 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.276 4.597 7.445 1.00 0.00 H new ATOM 896 N CYS A 64 -11.982 -2.108 7.667 1.00 0.00 N ATOM 897 CA CYS A 64 -13.090 -2.857 7.086 1.00 0.00 C ATOM 898 C CYS A 64 -12.716 -4.325 6.904 1.00 0.00 C ATOM 899 O CYS A 64 -13.581 -5.201 6.885 1.00 0.00 O ATOM 900 CB CYS A 64 -13.493 -2.251 5.741 1.00 0.00 C ATOM 901 SG CYS A 64 -12.180 -2.301 4.479 1.00 0.00 S ATOM 0 H CYS A 64 -11.120 -2.140 7.123 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.936 -2.797 7.771 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -14.366 -2.782 5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.793 -1.215 5.897 1.00 0.00 H new ATOM 906 N LYS A 65 -11.420 -4.588 6.769 1.00 0.00 N ATOM 907 CA LYS A 65 -10.929 -5.949 6.590 1.00 0.00 C ATOM 908 C LYS A 65 -11.373 -6.515 5.244 1.00 0.00 C ATOM 909 O LYS A 65 -11.816 -7.660 5.156 1.00 0.00 O ATOM 910 CB LYS A 65 -11.430 -6.848 7.723 1.00 0.00 C ATOM 911 CG LYS A 65 -11.158 -6.288 9.108 1.00 0.00 C ATOM 912 CD LYS A 65 -9.729 -6.561 9.548 1.00 0.00 C ATOM 913 CE LYS A 65 -9.563 -6.376 11.049 1.00 0.00 C ATOM 914 NZ LYS A 65 -8.221 -6.819 11.517 1.00 0.00 N ATOM 0 H LYS A 65 -10.690 -3.875 6.780 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.840 -5.921 6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.503 -7.002 7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.957 -7.826 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.341 -5.214 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.851 -6.731 9.823 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.450 -7.578 9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.050 -5.891 9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.708 -5.326 11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.335 -6.941 11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.147 -6.677 12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.092 -7.827 11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.485 -6.263 11.037 1.00 0.00 H new ATOM 928 N THR A 66 -11.251 -5.704 4.198 1.00 0.00 N ATOM 929 CA THR A 66 -11.639 -6.124 2.857 1.00 0.00 C ATOM 930 C THR A 66 -10.446 -6.678 2.087 1.00 0.00 C ATOM 931 O THR A 66 -9.311 -6.244 2.286 1.00 0.00 O ATOM 932 CB THR A 66 -12.254 -4.958 2.059 1.00 0.00 C ATOM 933 OG1 THR A 66 -13.352 -4.394 2.784 1.00 0.00 O ATOM 934 CG2 THR A 66 -12.730 -5.429 0.693 1.00 0.00 C ATOM 0 H THR A 66 -10.887 -4.753 4.253 1.00 0.00 H new ATOM 0 HA THR A 66 -12.387 -6.908 2.976 1.00 0.00 H new ATOM 0 HB THR A 66 -11.485 -4.199 1.916 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.016 -3.729 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.160 -4.589 0.148 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.886 -5.831 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.485 -6.205 0.818 1.00 0.00 H new ATOM 942 N ARG A 67 -10.710 -7.638 1.207 1.00 0.00 N ATOM 943 CA ARG A 67 -9.657 -8.252 0.407 1.00 0.00 C ATOM 944 C ARG A 67 -8.778 -7.187 -0.244 1.00 0.00 C ATOM 945 O ARG A 67 -9.278 -6.193 -0.772 1.00 0.00 O ATOM 946 CB ARG A 67 -10.264 -9.155 -0.668 1.00 0.00 C ATOM 947 CG ARG A 67 -11.367 -8.486 -1.473 1.00 0.00 C ATOM 948 CD ARG A 67 -11.941 -9.428 -2.520 1.00 0.00 C ATOM 949 NE ARG A 67 -12.941 -8.770 -3.358 1.00 0.00 N ATOM 950 CZ ARG A 67 -13.763 -9.424 -4.171 1.00 0.00 C ATOM 951 NH1 ARG A 67 -13.704 -10.746 -4.256 1.00 0.00 N ATOM 952 NH2 ARG A 67 -14.646 -8.755 -4.901 1.00 0.00 N ATOM 0 H ARG A 67 -11.644 -8.008 1.030 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.037 -8.855 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.475 -9.478 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.664 -10.051 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.161 -8.158 -0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.973 -7.594 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.135 -9.807 -3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.392 -10.289 -2.026 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.012 -7.753 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.026 -11.263 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.336 -11.246 -4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.694 -7.738 -4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.277 -9.258 -5.525 1.00 0.00 H new ATOM 966 N TYR A 68 -7.468 -7.403 -0.202 1.00 0.00 N ATOM 967 CA TYR A 68 -6.520 -6.461 -0.785 1.00 0.00 C ATOM 968 C TYR A 68 -5.889 -7.035 -2.049 1.00 0.00 C ATOM 969 O TYR A 68 -5.906 -8.246 -2.272 1.00 0.00 O ATOM 970 CB TYR A 68 -5.429 -6.110 0.229 1.00 0.00 C ATOM 971 CG TYR A 68 -5.720 -4.855 1.021 1.00 0.00 C ATOM 972 CD1 TYR A 68 -7.027 -4.448 1.259 1.00 0.00 C ATOM 973 CD2 TYR A 68 -4.689 -4.077 1.531 1.00 0.00 C ATOM 974 CE1 TYR A 68 -7.298 -3.302 1.982 1.00 0.00 C ATOM 975 CE2 TYR A 68 -4.950 -2.931 2.256 1.00 0.00 C ATOM 976 CZ TYR A 68 -6.256 -2.547 2.479 1.00 0.00 C ATOM 977 OH TYR A 68 -6.521 -1.405 3.199 1.00 0.00 O ATOM 0 H TYR A 68 -7.039 -8.222 0.229 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.064 -5.555 -1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.304 -6.944 0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.482 -5.987 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.845 -5.037 0.872 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.665 -4.373 1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.320 -2.999 2.157 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.136 -2.338 2.646 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.678 -0.991 3.478 1.00 0.00 H new ATOM 987 N LYS A 69 -5.331 -6.157 -2.875 1.00 0.00 N ATOM 988 CA LYS A 69 -4.691 -6.574 -4.118 1.00 0.00 C ATOM 989 C LYS A 69 -3.308 -5.945 -4.256 1.00 0.00 C ATOM 990 O LYS A 69 -2.826 -5.277 -3.341 1.00 0.00 O ATOM 991 CB LYS A 69 -5.560 -6.189 -5.317 1.00 0.00 C ATOM 992 CG LYS A 69 -6.034 -4.747 -5.287 1.00 0.00 C ATOM 993 CD LYS A 69 -5.023 -3.814 -5.934 1.00 0.00 C ATOM 994 CE LYS A 69 -5.276 -3.669 -7.427 1.00 0.00 C ATOM 995 NZ LYS A 69 -4.648 -4.771 -8.206 1.00 0.00 N ATOM 0 H LYS A 69 -5.309 -5.151 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.577 -7.658 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.995 -6.358 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.428 -6.847 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.989 -4.666 -5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.205 -4.441 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.073 -2.835 -5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.016 -4.197 -5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.350 -3.658 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.883 -2.712 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.589 -4.498 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.692 -4.954 -7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.224 -5.632 -8.116 1.00 0.00 H new ATOM 1009 N ARG A 70 -2.677 -6.161 -5.405 1.00 0.00 N ATOM 1010 CA ARG A 70 -1.350 -5.614 -5.662 1.00 0.00 C ATOM 1011 C ARG A 70 -1.445 -4.207 -6.246 1.00 0.00 C ATOM 1012 O ARG A 70 -2.265 -3.943 -7.127 1.00 0.00 O ATOM 1013 CB ARG A 70 -0.577 -6.523 -6.619 1.00 0.00 C ATOM 1014 CG ARG A 70 0.245 -7.590 -5.915 1.00 0.00 C ATOM 1015 CD ARG A 70 0.344 -8.858 -6.749 1.00 0.00 C ATOM 1016 NE ARG A 70 -0.959 -9.490 -6.941 1.00 0.00 N ATOM 1017 CZ ARG A 70 -1.623 -10.112 -5.974 1.00 0.00 C ATOM 1018 NH1 ARG A 70 -1.110 -10.185 -4.753 1.00 0.00 N ATOM 1019 NH2 ARG A 70 -2.803 -10.663 -6.226 1.00 0.00 N ATOM 0 H ARG A 70 -3.063 -6.711 -6.173 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.817 -5.560 -4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.281 -7.007 -7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.085 -5.912 -7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.245 -7.206 -5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.207 -7.822 -4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.778 -8.620 -7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.019 -9.561 -6.261 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.382 -9.451 -7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.203 -9.763 -4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.623 -10.664 -4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.201 -10.609 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.312 -11.141 -5.482 1.00 0.00 H new ATOM 1033 N LEU A 71 -0.604 -3.308 -5.748 1.00 0.00 N ATOM 1034 CA LEU A 71 -0.593 -1.927 -6.219 1.00 0.00 C ATOM 1035 C LEU A 71 0.715 -1.606 -6.935 1.00 0.00 C ATOM 1036 O LEU A 71 1.600 -2.455 -7.041 1.00 0.00 O ATOM 1037 CB LEU A 71 -0.795 -0.966 -5.046 1.00 0.00 C ATOM 1038 CG LEU A 71 -1.780 -1.420 -3.968 1.00 0.00 C ATOM 1039 CD1 LEU A 71 -2.045 -0.295 -2.980 1.00 0.00 C ATOM 1040 CD2 LEU A 71 -3.080 -1.895 -4.600 1.00 0.00 C ATOM 0 H LEU A 71 0.079 -3.510 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.413 -1.804 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.172 -0.791 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.135 -0.009 -5.441 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.337 -2.255 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.748 -0.636 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.110 -0.002 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.467 0.560 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.769 -2.214 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.528 -1.079 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.875 -2.732 -5.268 1.00 0.00 H new ATOM 1052 N ARG A 72 0.831 -0.375 -7.422 1.00 0.00 N ATOM 1053 CA ARG A 72 2.031 0.058 -8.126 1.00 0.00 C ATOM 1054 C ARG A 72 3.287 -0.348 -7.361 1.00 0.00 C ATOM 1055 O ARG A 72 4.208 -0.937 -7.925 1.00 0.00 O ATOM 1056 CB ARG A 72 2.011 1.575 -8.327 1.00 0.00 C ATOM 1057 CG ARG A 72 1.026 2.035 -9.388 1.00 0.00 C ATOM 1058 CD ARG A 72 0.835 3.544 -9.355 1.00 0.00 C ATOM 1059 NE ARG A 72 -0.296 3.971 -10.173 1.00 0.00 N ATOM 1060 CZ ARG A 72 -1.556 3.950 -9.754 1.00 0.00 C ATOM 1061 NH1 ARG A 72 -1.844 3.526 -8.531 1.00 0.00 N ATOM 1062 NH2 ARG A 72 -2.531 4.356 -10.558 1.00 0.00 N ATOM 0 H ARG A 72 0.108 0.340 -7.342 1.00 0.00 H new ATOM 0 HA ARG A 72 2.046 -0.431 -9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.763 2.055 -7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.011 1.910 -8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.383 1.734 -10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.066 1.542 -9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.680 3.867 -8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.743 4.032 -9.709 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.108 4.304 -11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.097 3.215 -7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.813 3.511 -8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.313 4.685 -11.499 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.498 4.339 -10.235 1.00 0.00 H new ATOM 1076 N GLY A 73 3.318 -0.027 -6.071 1.00 0.00 N ATOM 1077 CA GLY A 73 4.465 -0.365 -5.249 1.00 0.00 C ATOM 1078 C GLY A 73 4.319 -1.716 -4.577 1.00 0.00 C ATOM 1079 O GLY A 73 5.060 -2.651 -4.880 1.00 0.00 O ATOM 0 H GLY A 73 2.569 0.461 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.363 -0.365 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.602 0.403 -4.488 1.00 0.00 H new ATOM 1083 N SER A 74 3.362 -1.819 -3.661 1.00 0.00 N ATOM 1084 CA SER A 74 3.125 -3.065 -2.940 1.00 0.00 C ATOM 1085 C SER A 74 3.354 -4.270 -3.847 1.00 0.00 C ATOM 1086 O SER A 74 2.604 -4.519 -4.791 1.00 0.00 O ATOM 1087 CB SER A 74 1.700 -3.094 -2.384 1.00 0.00 C ATOM 1088 OG SER A 74 0.765 -3.432 -3.395 1.00 0.00 O ATOM 0 H SER A 74 2.738 -1.055 -3.400 1.00 0.00 H new ATOM 0 HA SER A 74 3.832 -3.117 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.638 -3.817 -1.571 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.450 -2.120 -1.964 1.00 0.00 H new ATOM 0 HG SER A 74 1.117 -4.173 -3.931 1.00 0.00 H new ATOM 1094 N PRO A 75 4.416 -5.036 -3.555 1.00 0.00 N ATOM 1095 CA PRO A 75 4.769 -6.227 -4.332 1.00 0.00 C ATOM 1096 C PRO A 75 3.772 -7.364 -4.136 1.00 0.00 C ATOM 1097 O PRO A 75 2.682 -7.161 -3.600 1.00 0.00 O ATOM 1098 CB PRO A 75 6.141 -6.618 -3.777 1.00 0.00 C ATOM 1099 CG PRO A 75 6.163 -6.063 -2.395 1.00 0.00 C ATOM 1100 CD PRO A 75 5.352 -4.797 -2.445 1.00 0.00 C ATOM 0 HA PRO A 75 4.767 -6.029 -5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.272 -7.700 -3.771 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.946 -6.203 -4.383 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.738 -6.771 -1.683 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.184 -5.860 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.826 -4.619 -1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.979 -3.925 -2.629 1.00 0.00 H new ATOM 1108 N ARG A 76 4.152 -8.561 -4.572 1.00 0.00 N ATOM 1109 CA ARG A 76 3.290 -9.729 -4.444 1.00 0.00 C ATOM 1110 C ARG A 76 3.484 -10.403 -3.088 1.00 0.00 C ATOM 1111 O ARG A 76 4.588 -10.421 -2.545 1.00 0.00 O ATOM 1112 CB ARG A 76 3.578 -10.728 -5.567 1.00 0.00 C ATOM 1113 CG ARG A 76 2.675 -11.950 -5.543 1.00 0.00 C ATOM 1114 CD ARG A 76 2.843 -12.792 -6.798 1.00 0.00 C ATOM 1115 NE ARG A 76 2.318 -12.119 -7.983 1.00 0.00 N ATOM 1116 CZ ARG A 76 1.024 -12.038 -8.269 1.00 0.00 C ATOM 1117 NH1 ARG A 76 0.127 -12.585 -7.460 1.00 0.00 N ATOM 1118 NH2 ARG A 76 0.624 -11.408 -9.366 1.00 0.00 N ATOM 0 H ARG A 76 5.051 -8.747 -5.017 1.00 0.00 H new ATOM 0 HA ARG A 76 2.255 -9.395 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.467 -10.224 -6.527 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.616 -11.053 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.902 -12.554 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.636 -11.634 -5.452 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.900 -13.015 -6.946 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.331 -13.745 -6.666 1.00 0.00 H new ATOM 0 HE ARG A 76 2.982 -11.688 -8.626 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.430 -13.070 -6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.866 -12.521 -7.682 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.311 -10.985 -9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.370 -11.346 -9.585 1.00 0.00 H new ATOM 1132 N VAL A 77 2.402 -10.954 -2.547 1.00 0.00 N ATOM 1133 CA VAL A 77 2.453 -11.629 -1.256 1.00 0.00 C ATOM 1134 C VAL A 77 1.617 -12.904 -1.269 1.00 0.00 C ATOM 1135 O VAL A 77 0.984 -13.233 -2.271 1.00 0.00 O ATOM 1136 CB VAL A 77 1.953 -10.712 -0.124 1.00 0.00 C ATOM 1137 CG1 VAL A 77 2.925 -9.565 0.104 1.00 0.00 C ATOM 1138 CG2 VAL A 77 0.560 -10.187 -0.440 1.00 0.00 C ATOM 0 H VAL A 77 1.480 -10.946 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 77 3.497 -11.884 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 77 1.897 -11.296 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.554 -8.928 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.901 -9.965 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.017 -8.979 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.222 -9.541 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.588 -9.619 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.129 -11.025 -0.547 1.00 0.00 H new ATOM 1148 N GLU A 78 1.621 -13.619 -0.148 1.00 0.00 N ATOM 1149 CA GLU A 78 0.863 -14.859 -0.031 1.00 0.00 C ATOM 1150 C GLU A 78 0.874 -15.630 -1.348 1.00 0.00 C ATOM 1151 O GLU A 78 -0.166 -16.080 -1.826 1.00 0.00 O ATOM 1152 CB GLU A 78 -0.579 -14.564 0.387 1.00 0.00 C ATOM 1153 CG GLU A 78 -1.305 -13.617 -0.554 1.00 0.00 C ATOM 1154 CD GLU A 78 -2.730 -13.340 -0.118 1.00 0.00 C ATOM 1155 OE1 GLU A 78 -3.056 -13.618 1.055 1.00 0.00 O ATOM 1156 OE2 GLU A 78 -3.520 -12.846 -0.950 1.00 0.00 O ATOM 0 H GLU A 78 2.140 -13.361 0.691 1.00 0.00 H new ATOM 0 HA GLU A 78 1.337 -15.473 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.131 -15.502 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.577 -14.136 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.757 -12.676 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.312 -14.043 -1.557 1.00 0.00 H new ATOM 1163 N GLY A 79 2.060 -15.777 -1.931 1.00 0.00 N ATOM 1164 CA GLY A 79 2.186 -16.492 -3.187 1.00 0.00 C ATOM 1165 C GLY A 79 3.528 -16.262 -3.853 1.00 0.00 C ATOM 1166 O GLY A 79 3.964 -17.065 -4.679 1.00 0.00 O ATOM 0 H GLY A 79 2.936 -15.413 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.050 -17.559 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.390 -16.177 -3.862 1.00 0.00 H new ATOM 1170 N ASP A 80 4.184 -15.164 -3.496 1.00 0.00 N ATOM 1171 CA ASP A 80 5.484 -14.830 -4.066 1.00 0.00 C ATOM 1172 C ASP A 80 6.613 -15.391 -3.208 1.00 0.00 C ATOM 1173 O ASP A 80 6.649 -15.179 -1.996 1.00 0.00 O ATOM 1174 CB ASP A 80 5.632 -13.313 -4.198 1.00 0.00 C ATOM 1175 CG ASP A 80 7.082 -12.880 -4.294 1.00 0.00 C ATOM 1176 OD1 ASP A 80 7.704 -13.120 -5.350 1.00 0.00 O ATOM 1177 OD2 ASP A 80 7.593 -12.299 -3.314 1.00 0.00 O ATOM 0 H ASP A 80 3.837 -14.489 -2.814 1.00 0.00 H new ATOM 0 HA ASP A 80 5.546 -15.281 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.095 -12.974 -5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.167 -12.829 -3.339 1.00 0.00 H new ATOM 1182 N GLU A 81 7.533 -16.108 -3.845 1.00 0.00 N ATOM 1183 CA GLU A 81 8.663 -16.702 -3.138 1.00 0.00 C ATOM 1184 C GLU A 81 9.807 -15.701 -3.005 1.00 0.00 C ATOM 1185 O GLU A 81 10.129 -14.980 -3.950 1.00 0.00 O ATOM 1186 CB GLU A 81 9.149 -17.955 -3.869 1.00 0.00 C ATOM 1187 CG GLU A 81 9.820 -18.969 -2.958 1.00 0.00 C ATOM 1188 CD GLU A 81 10.884 -19.780 -3.672 1.00 0.00 C ATOM 1189 OE1 GLU A 81 11.641 -19.192 -4.473 1.00 0.00 O ATOM 1190 OE2 GLU A 81 10.959 -21.003 -3.432 1.00 0.00 O ATOM 0 H GLU A 81 7.519 -16.292 -4.848 1.00 0.00 H new ATOM 0 HA GLU A 81 8.328 -16.981 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.301 -18.429 -4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.850 -17.661 -4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.271 -18.450 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.065 -19.643 -2.553 1.00 0.00 H new ATOM 1197 N ASP A 82 10.418 -15.664 -1.826 1.00 0.00 N ATOM 1198 CA ASP A 82 11.527 -14.753 -1.568 1.00 0.00 C ATOM 1199 C ASP A 82 12.832 -15.315 -2.124 1.00 0.00 C ATOM 1200 O ASP A 82 12.873 -16.440 -2.619 1.00 0.00 O ATOM 1201 CB ASP A 82 11.666 -14.496 -0.067 1.00 0.00 C ATOM 1202 CG ASP A 82 12.204 -13.112 0.237 1.00 0.00 C ATOM 1203 OD1 ASP A 82 11.886 -12.173 -0.522 1.00 0.00 O ATOM 1204 OD2 ASP A 82 12.944 -12.967 1.232 1.00 0.00 O ATOM 0 H ASP A 82 10.164 -16.254 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 82 11.315 -13.810 -2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.694 -14.618 0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 82 12.330 -15.244 0.367 1.00 0.00 H new ATOM 1209 N GLU A 83 13.896 -14.522 -2.038 1.00 0.00 N ATOM 1210 CA GLU A 83 15.202 -14.941 -2.534 1.00 0.00 C ATOM 1211 C GLU A 83 16.324 -14.254 -1.760 1.00 0.00 C ATOM 1212 O GLU A 83 16.470 -13.033 -1.813 1.00 0.00 O ATOM 1213 CB GLU A 83 15.330 -14.627 -4.026 1.00 0.00 C ATOM 1214 CG GLU A 83 14.839 -15.748 -4.927 1.00 0.00 C ATOM 1215 CD GLU A 83 15.857 -16.862 -5.079 1.00 0.00 C ATOM 1216 OE1 GLU A 83 15.892 -17.756 -4.209 1.00 0.00 O ATOM 1217 OE2 GLU A 83 16.617 -16.839 -6.070 1.00 0.00 O ATOM 0 H GLU A 83 13.879 -13.587 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 83 15.290 -16.018 -2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.767 -13.721 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.375 -14.418 -4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.915 -16.158 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.601 -15.341 -5.910 1.00 0.00 H new ATOM 1224 N GLU A 84 17.112 -15.047 -1.042 1.00 0.00 N ATOM 1225 CA GLU A 84 18.219 -14.515 -0.257 1.00 0.00 C ATOM 1226 C GLU A 84 19.457 -15.397 -0.393 1.00 0.00 C ATOM 1227 O GLU A 84 19.380 -16.519 -0.895 1.00 0.00 O ATOM 1228 CB GLU A 84 17.821 -14.401 1.216 1.00 0.00 C ATOM 1229 CG GLU A 84 17.649 -15.744 1.906 1.00 0.00 C ATOM 1230 CD GLU A 84 18.962 -16.483 2.079 1.00 0.00 C ATOM 1231 OE1 GLU A 84 19.851 -15.957 2.780 1.00 0.00 O ATOM 1232 OE2 GLU A 84 19.099 -17.588 1.514 1.00 0.00 O ATOM 0 H GLU A 84 17.004 -16.060 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 84 18.457 -13.523 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.580 -13.825 1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.888 -13.842 1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.191 -15.590 2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.963 -16.361 1.326 1.00 0.00 H new ATOM 1239 N ASP A 85 20.596 -14.883 0.056 1.00 0.00 N ATOM 1240 CA ASP A 85 21.850 -15.623 -0.015 1.00 0.00 C ATOM 1241 C ASP A 85 22.555 -15.628 1.338 1.00 0.00 C ATOM 1242 O ASP A 85 23.067 -14.602 1.786 1.00 0.00 O ATOM 1243 CB ASP A 85 22.766 -15.015 -1.078 1.00 0.00 C ATOM 1244 CG ASP A 85 23.708 -16.037 -1.684 1.00 0.00 C ATOM 1245 OD1 ASP A 85 23.217 -17.060 -2.207 1.00 0.00 O ATOM 1246 OD2 ASP A 85 24.936 -15.814 -1.635 1.00 0.00 O ATOM 0 H ASP A 85 20.677 -13.956 0.473 1.00 0.00 H new ATOM 0 HA ASP A 85 21.621 -16.653 -0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 85 22.158 -14.573 -1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.348 -14.208 -0.633 1.00 0.00 H new ATOM 1251 N ILE A 86 22.576 -16.790 1.984 1.00 0.00 N ATOM 1252 CA ILE A 86 23.218 -16.928 3.285 1.00 0.00 C ATOM 1253 C ILE A 86 24.671 -16.467 3.233 1.00 0.00 C ATOM 1254 O ILE A 86 25.338 -16.597 2.207 1.00 0.00 O ATOM 1255 CB ILE A 86 23.171 -18.385 3.784 1.00 0.00 C ATOM 1256 CG1 ILE A 86 23.512 -19.348 2.645 1.00 0.00 C ATOM 1257 CG2 ILE A 86 21.800 -18.703 4.361 1.00 0.00 C ATOM 1258 CD1 ILE A 86 23.804 -20.757 3.112 1.00 0.00 C ATOM 0 H ILE A 86 22.156 -17.648 1.627 1.00 0.00 H new ATOM 0 HA ILE A 86 22.664 -16.296 3.979 1.00 0.00 H new ATOM 0 HB ILE A 86 23.913 -18.508 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 86 22.681 -19.372 1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 86 24.378 -18.966 2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 86 21.782 -19.736 4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 86 21.593 -18.035 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 86 21.041 -18.567 3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 86 24.038 -21.384 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 86 24.654 -20.745 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 86 22.931 -21.158 3.627 1.00 0.00 H new ATOM 1270 N ASP A 87 25.155 -15.930 4.348 1.00 0.00 N ATOM 1271 CA ASP A 87 26.530 -15.452 4.431 1.00 0.00 C ATOM 1272 C ASP A 87 27.000 -15.399 5.882 1.00 0.00 C ATOM 1273 O ASP A 87 26.247 -15.010 6.775 1.00 0.00 O ATOM 1274 CB ASP A 87 26.651 -14.068 3.792 1.00 0.00 C ATOM 1275 CG ASP A 87 25.471 -13.174 4.119 1.00 0.00 C ATOM 1276 OD1 ASP A 87 25.513 -12.496 5.167 1.00 0.00 O ATOM 1277 OD2 ASP A 87 24.505 -13.153 3.328 1.00 0.00 O ATOM 0 H ASP A 87 24.616 -15.815 5.206 1.00 0.00 H new ATOM 0 HA ASP A 87 27.165 -16.151 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 87 27.570 -13.592 4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 87 26.732 -14.176 2.710 1.00 0.00 H new ATOM 1282 N SER A 88 28.249 -15.795 6.109 1.00 0.00 N ATOM 1283 CA SER A 88 28.817 -15.797 7.451 1.00 0.00 C ATOM 1284 C SER A 88 29.529 -14.479 7.742 1.00 0.00 C ATOM 1285 O SER A 88 30.279 -13.969 6.911 1.00 0.00 O ATOM 1286 CB SER A 88 29.794 -16.964 7.612 1.00 0.00 C ATOM 1287 OG SER A 88 30.764 -16.963 6.580 1.00 0.00 O ATOM 0 H SER A 88 28.886 -16.118 5.381 1.00 0.00 H new ATOM 0 HA SER A 88 28.001 -15.914 8.164 1.00 0.00 H new ATOM 0 HB2 SER A 88 30.289 -16.897 8.581 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.246 -17.906 7.599 1.00 0.00 H new ATOM 0 HG SER A 88 31.377 -17.717 6.707 1.00 0.00 H new ATOM 1293 N GLY A 89 29.287 -13.933 8.930 1.00 0.00 N ATOM 1294 CA GLY A 89 29.911 -12.679 9.311 1.00 0.00 C ATOM 1295 C GLY A 89 29.844 -12.428 10.804 1.00 0.00 C ATOM 1296 O GLY A 89 29.693 -13.351 11.605 1.00 0.00 O ATOM 0 H GLY A 89 28.670 -14.336 9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 89 30.954 -12.684 8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 89 29.422 -11.859 8.786 1.00 0.00 H new ATOM 1300 N PRO A 90 29.958 -11.151 11.199 1.00 0.00 N ATOM 1301 CA PRO A 90 29.913 -10.751 12.609 1.00 0.00 C ATOM 1302 C PRO A 90 28.523 -10.917 13.214 1.00 0.00 C ATOM 1303 O PRO A 90 27.723 -9.981 13.221 1.00 0.00 O ATOM 1304 CB PRO A 90 30.307 -9.273 12.571 1.00 0.00 C ATOM 1305 CG PRO A 90 29.932 -8.816 11.204 1.00 0.00 C ATOM 1306 CD PRO A 90 30.139 -9.999 10.300 1.00 0.00 C ATOM 0 HA PRO A 90 30.567 -11.365 13.228 1.00 0.00 H new ATOM 0 HB2 PRO A 90 29.781 -8.703 13.337 1.00 0.00 H new ATOM 0 HB3 PRO A 90 31.374 -9.143 12.753 1.00 0.00 H new ATOM 0 HG2 PRO A 90 28.895 -8.480 11.176 1.00 0.00 H new ATOM 0 HG3 PRO A 90 30.549 -7.973 10.891 1.00 0.00 H new ATOM 0 HD2 PRO A 90 29.419 -10.011 9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 90 31.132 -9.992 9.850 1.00 0.00 H new ATOM 1314 N SER A 91 28.242 -12.113 13.722 1.00 0.00 N ATOM 1315 CA SER A 91 26.948 -12.401 14.327 1.00 0.00 C ATOM 1316 C SER A 91 27.113 -12.849 15.776 1.00 0.00 C ATOM 1317 O SER A 91 27.567 -13.960 16.047 1.00 0.00 O ATOM 1318 CB SER A 91 26.217 -13.482 13.528 1.00 0.00 C ATOM 1319 OG SER A 91 25.019 -13.874 14.176 1.00 0.00 O ATOM 0 H SER A 91 28.894 -12.898 13.726 1.00 0.00 H new ATOM 0 HA SER A 91 26.357 -11.486 14.313 1.00 0.00 H new ATOM 0 HB2 SER A 91 25.989 -13.109 12.530 1.00 0.00 H new ATOM 0 HB3 SER A 91 26.867 -14.348 13.403 1.00 0.00 H new ATOM 0 HG SER A 91 24.570 -14.564 13.644 1.00 0.00 H new ATOM 1325 N SER A 92 26.740 -11.974 16.705 1.00 0.00 N ATOM 1326 CA SER A 92 26.850 -12.276 18.128 1.00 0.00 C ATOM 1327 C SER A 92 25.543 -11.966 18.851 1.00 0.00 C ATOM 1328 O SER A 92 25.162 -10.805 18.998 1.00 0.00 O ATOM 1329 CB SER A 92 27.995 -11.477 18.753 1.00 0.00 C ATOM 1330 OG SER A 92 27.687 -10.094 18.797 1.00 0.00 O ATOM 0 H SER A 92 26.359 -11.051 16.498 1.00 0.00 H new ATOM 0 HA SER A 92 27.060 -13.340 18.234 1.00 0.00 H new ATOM 0 HB2 SER A 92 28.189 -11.842 19.762 1.00 0.00 H new ATOM 0 HB3 SER A 92 28.907 -11.632 18.177 1.00 0.00 H new ATOM 0 HG SER A 92 26.717 -9.977 18.878 1.00 0.00 H new ATOM 1336 N GLY A 93 24.860 -13.014 19.302 1.00 0.00 N ATOM 1337 CA GLY A 93 23.603 -12.834 20.005 1.00 0.00 C ATOM 1338 C GLY A 93 22.401 -13.044 19.106 1.00 0.00 C ATOM 1339 O GLY A 93 22.226 -12.287 18.152 1.00 0.00 O ATOM 0 H GLY A 93 25.155 -13.984 19.193 1.00 0.00 H new ATOM 0 HA2 GLY A 93 23.554 -13.532 20.841 1.00 0.00 H new ATOM 0 HA3 GLY A 93 23.567 -11.829 20.427 1.00 0.00 H new TER 1343 GLY A 93 HETATM 1344 ZN ZN A 201 0.899 5.973 7.425 1.00 0.00 ZN HETATM 1345 ZN ZN A 401 -10.999 -0.287 4.254 1.00 0.00 ZN