USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 45:sc= 0.781 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 117:sc= 0.74 USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0004) USER MOD Single : A 11 LYS NZ :NH3+ -105:sc= -0.212 (180deg=-1.7!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= -0.409 (180deg=-0.495) USER MOD Single : A 19 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.458) USER MOD Single : A 20 ASN : amide:sc= -0.545 K(o=-0.55,f=-2.1!) USER MOD Single : A 22 MET CE :methyl 176:sc= 0 (180deg=-0.0259) USER MOD Single : A 24 GLN : amide:sc=-0.00398 X(o=-0.004,f=-0.004) USER MOD Single : A 31 GLN :FLIP amide:sc=-0.00752 F(o=-0.66,f=-0.0075) USER MOD Single : A 33 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -32:sc= 0.728 USER MOD Single : A 40 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.8!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.053) USER MOD Single : A 53 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.2!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 66:sc= 1.24 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.127 10.024 18.272 1.00 0.00 N ATOM 2 CA GLY A 1 -9.432 9.722 19.658 1.00 0.00 C ATOM 3 C GLY A 1 -10.353 10.749 20.286 1.00 0.00 C ATOM 4 O GLY A 1 -11.545 10.499 20.461 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.495 9.293 17.888 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.008 10.045 17.719 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.660 10.951 18.213 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.896 8.737 19.719 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.505 9.673 20.229 1.00 0.00 H new ATOM 8 N SER A 2 -9.799 11.908 20.628 1.00 0.00 N ATOM 9 CA SER A 2 -10.578 12.975 21.246 1.00 0.00 C ATOM 10 C SER A 2 -11.598 13.541 20.263 1.00 0.00 C ATOM 11 O SER A 2 -11.251 14.303 19.360 1.00 0.00 O ATOM 12 CB SER A 2 -9.654 14.090 21.739 1.00 0.00 C ATOM 13 OG SER A 2 -8.660 13.581 22.611 1.00 0.00 O ATOM 0 H SER A 2 -8.814 12.132 20.488 1.00 0.00 H new ATOM 0 HA SER A 2 -11.114 12.555 22.097 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.180 14.577 20.887 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.240 14.851 22.255 1.00 0.00 H new ATOM 0 HG SER A 2 -8.082 14.313 22.911 1.00 0.00 H new ATOM 19 N SER A 3 -12.859 13.163 20.445 1.00 0.00 N ATOM 20 CA SER A 3 -13.931 13.629 19.573 1.00 0.00 C ATOM 21 C SER A 3 -13.749 15.105 19.230 1.00 0.00 C ATOM 22 O SER A 3 -13.997 15.981 20.057 1.00 0.00 O ATOM 23 CB SER A 3 -15.291 13.413 20.240 1.00 0.00 C ATOM 24 OG SER A 3 -15.377 14.122 21.464 1.00 0.00 O ATOM 0 H SER A 3 -13.164 12.535 21.189 1.00 0.00 H new ATOM 0 HA SER A 3 -13.892 13.051 18.650 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.085 13.742 19.569 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.446 12.349 20.421 1.00 0.00 H new ATOM 0 HG SER A 3 -15.028 15.030 21.341 1.00 0.00 H new ATOM 30 N GLY A 4 -13.313 15.371 18.002 1.00 0.00 N ATOM 31 CA GLY A 4 -13.105 16.741 17.570 1.00 0.00 C ATOM 32 C GLY A 4 -12.231 16.832 16.335 1.00 0.00 C ATOM 33 O GLY A 4 -11.008 16.719 16.421 1.00 0.00 O ATOM 0 H GLY A 4 -13.100 14.663 17.299 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.070 17.204 17.364 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.646 17.308 18.379 1.00 0.00 H new ATOM 37 N SER A 5 -12.859 17.036 15.181 1.00 0.00 N ATOM 38 CA SER A 5 -12.131 17.137 13.922 1.00 0.00 C ATOM 39 C SER A 5 -12.639 18.313 13.094 1.00 0.00 C ATOM 40 O SER A 5 -13.708 18.861 13.364 1.00 0.00 O ATOM 41 CB SER A 5 -12.269 15.839 13.123 1.00 0.00 C ATOM 42 OG SER A 5 -11.299 14.888 13.526 1.00 0.00 O ATOM 0 H SER A 5 -13.870 17.135 15.092 1.00 0.00 H new ATOM 0 HA SER A 5 -11.079 17.304 14.152 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.268 15.426 13.263 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.157 16.049 12.059 1.00 0.00 H new ATOM 0 HG SER A 5 -11.409 14.067 13.002 1.00 0.00 H new ATOM 48 N SER A 6 -11.865 18.696 12.083 1.00 0.00 N ATOM 49 CA SER A 6 -12.233 19.809 11.217 1.00 0.00 C ATOM 50 C SER A 6 -12.099 19.422 9.747 1.00 0.00 C ATOM 51 O SER A 6 -12.849 19.899 8.897 1.00 0.00 O ATOM 52 CB SER A 6 -11.358 21.028 11.517 1.00 0.00 C ATOM 53 OG SER A 6 -10.042 20.844 11.025 1.00 0.00 O ATOM 0 H SER A 6 -10.979 18.251 11.844 1.00 0.00 H new ATOM 0 HA SER A 6 -13.275 20.061 11.415 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.798 21.916 11.064 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.327 21.201 12.593 1.00 0.00 H new ATOM 0 HG SER A 6 -9.851 21.519 10.340 1.00 0.00 H new ATOM 59 N GLY A 7 -11.136 18.552 9.457 1.00 0.00 N ATOM 60 CA GLY A 7 -10.920 18.114 8.090 1.00 0.00 C ATOM 61 C GLY A 7 -11.121 19.230 7.085 1.00 0.00 C ATOM 62 O GLY A 7 -12.228 19.434 6.586 1.00 0.00 O ATOM 0 H GLY A 7 -10.502 18.143 10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.908 17.720 7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.603 17.296 7.862 1.00 0.00 H new ATOM 66 N PHE A 8 -10.049 19.957 6.787 1.00 0.00 N ATOM 67 CA PHE A 8 -10.113 21.061 5.837 1.00 0.00 C ATOM 68 C PHE A 8 -9.878 20.567 4.413 1.00 0.00 C ATOM 69 O PHE A 8 -9.431 19.440 4.200 1.00 0.00 O ATOM 70 CB PHE A 8 -9.080 22.131 6.195 1.00 0.00 C ATOM 71 CG PHE A 8 -9.154 22.581 7.626 1.00 0.00 C ATOM 72 CD1 PHE A 8 -10.146 23.456 8.041 1.00 0.00 C ATOM 73 CD2 PHE A 8 -8.233 22.129 8.557 1.00 0.00 C ATOM 74 CE1 PHE A 8 -10.216 23.872 9.357 1.00 0.00 C ATOM 75 CE2 PHE A 8 -8.299 22.541 9.875 1.00 0.00 C ATOM 76 CZ PHE A 8 -9.292 23.413 10.275 1.00 0.00 C ATOM 0 H PHE A 8 -9.125 19.801 7.190 1.00 0.00 H new ATOM 0 HA PHE A 8 -11.111 21.497 5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.082 21.742 5.996 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.221 22.993 5.544 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.872 23.817 7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.454 21.447 8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.993 24.555 9.667 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.575 22.181 10.591 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.346 23.736 11.304 1.00 0.00 H new ATOM 86 N LYS A 9 -10.182 21.419 3.439 1.00 0.00 N ATOM 87 CA LYS A 9 -10.004 21.072 2.035 1.00 0.00 C ATOM 88 C LYS A 9 -8.536 20.797 1.724 1.00 0.00 C ATOM 89 O LYS A 9 -7.647 21.493 2.216 1.00 0.00 O ATOM 90 CB LYS A 9 -10.523 22.199 1.140 1.00 0.00 C ATOM 91 CG LYS A 9 -9.865 23.541 1.408 1.00 0.00 C ATOM 92 CD LYS A 9 -10.378 24.613 0.461 1.00 0.00 C ATOM 93 CE LYS A 9 -9.474 25.837 0.462 1.00 0.00 C ATOM 94 NZ LYS A 9 -8.247 25.620 -0.353 1.00 0.00 N ATOM 0 H LYS A 9 -10.553 22.356 3.597 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.575 20.165 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.362 21.927 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.599 22.297 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.057 23.842 2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.785 23.446 1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.442 24.208 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.387 24.904 0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.023 26.694 0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.192 26.079 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.665 26.482 -0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.702 24.829 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.516 25.397 -1.333 1.00 0.00 H new ATOM 108 N ARG A 10 -8.289 19.780 0.905 1.00 0.00 N ATOM 109 CA ARG A 10 -6.929 19.415 0.529 1.00 0.00 C ATOM 110 C ARG A 10 -6.891 18.838 -0.884 1.00 0.00 C ATOM 111 O ARG A 10 -7.582 17.865 -1.187 1.00 0.00 O ATOM 112 CB ARG A 10 -6.358 18.400 1.521 1.00 0.00 C ATOM 113 CG ARG A 10 -5.783 19.034 2.777 1.00 0.00 C ATOM 114 CD ARG A 10 -5.693 18.030 3.916 1.00 0.00 C ATOM 115 NE ARG A 10 -6.990 17.805 4.550 1.00 0.00 N ATOM 116 CZ ARG A 10 -7.277 16.729 5.274 1.00 0.00 C ATOM 117 NH1 ARG A 10 -6.364 15.785 5.455 1.00 0.00 N ATOM 118 NH2 ARG A 10 -8.479 16.596 5.818 1.00 0.00 N ATOM 0 H ARG A 10 -9.013 19.194 0.489 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.318 20.318 0.551 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.144 17.700 1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.578 17.821 1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.792 19.433 2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.407 19.875 3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.306 17.084 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.983 18.389 4.661 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.715 18.513 4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.438 15.884 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.587 14.960 6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.184 17.320 5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.699 15.769 6.374 1.00 0.00 H new ATOM 132 N LYS A 11 -6.081 19.446 -1.744 1.00 0.00 N ATOM 133 CA LYS A 11 -5.952 18.994 -3.124 1.00 0.00 C ATOM 134 C LYS A 11 -4.720 18.111 -3.295 1.00 0.00 C ATOM 135 O LYS A 11 -4.780 17.063 -3.936 1.00 0.00 O ATOM 136 CB LYS A 11 -5.868 20.194 -4.070 1.00 0.00 C ATOM 137 CG LYS A 11 -4.689 21.109 -3.788 1.00 0.00 C ATOM 138 CD LYS A 11 -4.731 22.356 -4.656 1.00 0.00 C ATOM 139 CE LYS A 11 -4.330 22.050 -6.090 1.00 0.00 C ATOM 140 NZ LYS A 11 -5.495 21.624 -6.914 1.00 0.00 N ATOM 0 H LYS A 11 -5.504 20.254 -1.509 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.836 18.406 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.800 19.833 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.790 20.770 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.693 21.396 -2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.758 20.571 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.736 22.778 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.062 23.111 -4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.874 22.934 -6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.575 21.264 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.453 20.597 -7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.377 21.863 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.470 22.114 -7.831 1.00 0.00 H new ATOM 154 N ALA A 12 -3.604 18.542 -2.715 1.00 0.00 N ATOM 155 CA ALA A 12 -2.359 17.789 -2.800 1.00 0.00 C ATOM 156 C ALA A 12 -2.509 16.407 -2.173 1.00 0.00 C ATOM 157 O ALA A 12 -3.149 16.253 -1.134 1.00 0.00 O ATOM 158 CB ALA A 12 -1.231 18.557 -2.126 1.00 0.00 C ATOM 0 H ALA A 12 -3.537 19.409 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.115 17.656 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.307 17.983 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.099 19.519 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.478 18.719 -1.077 1.00 0.00 H new ATOM 164 N ASN A 13 -1.916 15.405 -2.813 1.00 0.00 N ATOM 165 CA ASN A 13 -1.985 14.034 -2.318 1.00 0.00 C ATOM 166 C ASN A 13 -0.716 13.667 -1.556 1.00 0.00 C ATOM 167 O ASN A 13 -0.168 12.577 -1.728 1.00 0.00 O ATOM 168 CB ASN A 13 -2.196 13.061 -3.479 1.00 0.00 C ATOM 169 CG ASN A 13 -3.583 13.174 -4.083 1.00 0.00 C ATOM 170 OD1 ASN A 13 -3.811 13.969 -4.995 1.00 0.00 O ATOM 171 ND2 ASN A 13 -4.516 12.377 -3.576 1.00 0.00 N ATOM 0 H ASN A 13 -1.382 15.516 -3.675 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.831 13.962 -1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.450 13.253 -4.250 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.037 12.041 -3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.467 12.408 -3.942 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.281 11.733 -2.820 1.00 0.00 H new ATOM 178 N LYS A 14 -0.252 14.582 -0.712 1.00 0.00 N ATOM 179 CA LYS A 14 0.951 14.355 0.080 1.00 0.00 C ATOM 180 C LYS A 14 0.997 12.923 0.602 1.00 0.00 C ATOM 181 O LYS A 14 2.035 12.266 0.546 1.00 0.00 O ATOM 182 CB LYS A 14 1.010 15.339 1.250 1.00 0.00 C ATOM 183 CG LYS A 14 2.424 15.697 1.674 1.00 0.00 C ATOM 184 CD LYS A 14 3.072 14.570 2.460 1.00 0.00 C ATOM 185 CE LYS A 14 4.459 14.958 2.949 1.00 0.00 C ATOM 186 NZ LYS A 14 5.217 13.781 3.459 1.00 0.00 N ATOM 0 H LYS A 14 -0.692 15.489 -0.559 1.00 0.00 H new ATOM 0 HA LYS A 14 1.815 14.515 -0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.481 16.251 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.482 14.910 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.024 15.919 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.405 16.602 2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.444 14.311 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.141 13.681 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.015 15.422 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.370 15.703 3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.195 14.064 3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.764 13.424 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.222 13.032 2.737 1.00 0.00 H new ATOM 200 N GLU A 15 -0.136 12.447 1.109 1.00 0.00 N ATOM 201 CA GLU A 15 -0.224 11.092 1.641 1.00 0.00 C ATOM 202 C GLU A 15 0.381 10.085 0.667 1.00 0.00 C ATOM 203 O GLU A 15 1.240 9.284 1.038 1.00 0.00 O ATOM 204 CB GLU A 15 -1.682 10.726 1.928 1.00 0.00 C ATOM 205 CG GLU A 15 -2.232 11.366 3.192 1.00 0.00 C ATOM 206 CD GLU A 15 -2.390 12.869 3.064 1.00 0.00 C ATOM 207 OE1 GLU A 15 -3.263 13.310 2.287 1.00 0.00 O ATOM 208 OE2 GLU A 15 -1.640 13.603 3.740 1.00 0.00 O ATOM 0 H GLU A 15 -1.005 12.979 1.163 1.00 0.00 H new ATOM 0 HA GLU A 15 0.342 11.058 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.297 11.028 1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.766 9.643 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.199 10.922 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.566 11.144 4.026 1.00 0.00 H new ATOM 215 N LEU A 16 -0.073 10.131 -0.581 1.00 0.00 N ATOM 216 CA LEU A 16 0.423 9.222 -1.609 1.00 0.00 C ATOM 217 C LEU A 16 1.946 9.147 -1.581 1.00 0.00 C ATOM 218 O LEU A 16 2.524 8.061 -1.598 1.00 0.00 O ATOM 219 CB LEU A 16 -0.051 9.677 -2.991 1.00 0.00 C ATOM 220 CG LEU A 16 -1.404 9.132 -3.449 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.243 7.746 -4.055 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.387 9.097 -2.288 1.00 0.00 C ATOM 0 H LEU A 16 -0.783 10.787 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 16 0.025 8.228 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.100 10.766 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.702 9.388 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.802 9.798 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.216 7.374 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.574 7.800 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.823 7.070 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.344 8.706 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.996 8.454 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.526 10.105 -1.898 1.00 0.00 H new ATOM 234 N GLU A 17 2.590 10.310 -1.536 1.00 0.00 N ATOM 235 CA GLU A 17 4.047 10.374 -1.504 1.00 0.00 C ATOM 236 C GLU A 17 4.603 9.547 -0.349 1.00 0.00 C ATOM 237 O GLU A 17 5.586 8.825 -0.507 1.00 0.00 O ATOM 238 CB GLU A 17 4.512 11.826 -1.376 1.00 0.00 C ATOM 239 CG GLU A 17 4.709 12.522 -2.712 1.00 0.00 C ATOM 240 CD GLU A 17 4.525 14.025 -2.620 1.00 0.00 C ATOM 241 OE1 GLU A 17 4.988 14.620 -1.625 1.00 0.00 O ATOM 242 OE2 GLU A 17 3.917 14.605 -3.544 1.00 0.00 O ATOM 0 H GLU A 17 2.127 11.219 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 17 4.424 9.960 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.780 12.383 -0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.450 11.851 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.709 12.304 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.002 12.117 -3.436 1.00 0.00 H new ATOM 249 N GLU A 18 3.965 9.659 0.813 1.00 0.00 N ATOM 250 CA GLU A 18 4.397 8.922 1.995 1.00 0.00 C ATOM 251 C GLU A 18 4.188 7.422 1.807 1.00 0.00 C ATOM 252 O GLU A 18 5.146 6.650 1.770 1.00 0.00 O ATOM 253 CB GLU A 18 3.634 9.404 3.230 1.00 0.00 C ATOM 254 CG GLU A 18 3.274 10.880 3.186 1.00 0.00 C ATOM 255 CD GLU A 18 3.105 11.481 4.568 1.00 0.00 C ATOM 256 OE1 GLU A 18 3.709 10.951 5.524 1.00 0.00 O ATOM 257 OE2 GLU A 18 2.369 12.482 4.693 1.00 0.00 O ATOM 0 H GLU A 18 3.148 10.252 0.960 1.00 0.00 H new ATOM 0 HA GLU A 18 5.461 9.107 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.720 8.819 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.237 9.212 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.052 11.424 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.350 11.008 2.623 1.00 0.00 H new ATOM 264 N LYS A 19 2.928 7.016 1.691 1.00 0.00 N ATOM 265 CA LYS A 19 2.591 5.610 1.507 1.00 0.00 C ATOM 266 C LYS A 19 3.425 4.992 0.389 1.00 0.00 C ATOM 267 O LYS A 19 3.767 3.812 0.437 1.00 0.00 O ATOM 268 CB LYS A 19 1.101 5.459 1.190 1.00 0.00 C ATOM 269 CG LYS A 19 0.662 6.224 -0.046 1.00 0.00 C ATOM 270 CD LYS A 19 -0.849 6.202 -0.208 1.00 0.00 C ATOM 271 CE LYS A 19 -1.537 7.031 0.866 1.00 0.00 C ATOM 272 NZ LYS A 19 -3.006 7.121 0.641 1.00 0.00 N ATOM 0 H LYS A 19 2.123 7.642 1.721 1.00 0.00 H new ATOM 0 HA LYS A 19 2.814 5.084 2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.873 4.402 1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.519 5.803 2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.007 7.256 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.130 5.789 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.116 6.586 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.206 5.173 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.346 6.589 1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.110 8.034 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.357 8.031 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.206 7.051 -0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.482 6.344 1.142 1.00 0.00 H new ATOM 286 N ASN A 20 3.749 5.799 -0.616 1.00 0.00 N ATOM 287 CA ASN A 20 4.543 5.331 -1.746 1.00 0.00 C ATOM 288 C ASN A 20 5.996 5.108 -1.334 1.00 0.00 C ATOM 289 O ASN A 20 6.524 4.003 -1.459 1.00 0.00 O ATOM 290 CB ASN A 20 4.477 6.339 -2.895 1.00 0.00 C ATOM 291 CG ASN A 20 3.212 6.193 -3.719 1.00 0.00 C ATOM 292 OD1 ASN A 20 2.630 5.111 -3.797 1.00 0.00 O ATOM 293 ND2 ASN A 20 2.781 7.285 -4.339 1.00 0.00 N ATOM 0 H ASN A 20 3.474 6.780 -0.671 1.00 0.00 H new ATOM 0 HA ASN A 20 4.128 4.380 -2.081 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.530 7.350 -2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.345 6.208 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.935 7.248 -4.908 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.295 8.161 -4.246 1.00 0.00 H new ATOM 300 N ARG A 21 6.635 6.164 -0.843 1.00 0.00 N ATOM 301 CA ARG A 21 8.025 6.084 -0.413 1.00 0.00 C ATOM 302 C ARG A 21 8.213 4.976 0.619 1.00 0.00 C ATOM 303 O ARG A 21 9.185 4.224 0.567 1.00 0.00 O ATOM 304 CB ARG A 21 8.479 7.423 0.172 1.00 0.00 C ATOM 305 CG ARG A 21 9.977 7.505 0.417 1.00 0.00 C ATOM 306 CD ARG A 21 10.359 8.807 1.103 1.00 0.00 C ATOM 307 NE ARG A 21 10.440 9.920 0.161 1.00 0.00 N ATOM 308 CZ ARG A 21 10.444 11.196 0.529 1.00 0.00 C ATOM 309 NH1 ARG A 21 10.371 11.519 1.812 1.00 0.00 N ATOM 310 NH2 ARG A 21 10.521 12.152 -0.388 1.00 0.00 N ATOM 0 H ARG A 21 6.212 7.086 -0.733 1.00 0.00 H new ATOM 0 HA ARG A 21 8.635 5.851 -1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.186 8.224 -0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.956 7.595 1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.293 6.662 1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.507 7.423 -0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.625 9.039 1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.320 8.685 1.603 1.00 0.00 H new ATOM 0 HE ARG A 21 10.497 9.705 -0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.312 10.787 2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.374 12.500 2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.577 11.907 -1.377 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.524 13.132 -0.104 1.00 0.00 H new ATOM 324 N MET A 22 7.275 4.883 1.556 1.00 0.00 N ATOM 325 CA MET A 22 7.337 3.867 2.600 1.00 0.00 C ATOM 326 C MET A 22 7.445 2.471 1.995 1.00 0.00 C ATOM 327 O MET A 22 8.297 1.675 2.393 1.00 0.00 O ATOM 328 CB MET A 22 6.100 3.951 3.498 1.00 0.00 C ATOM 329 CG MET A 22 6.051 5.210 4.348 1.00 0.00 C ATOM 330 SD MET A 22 4.385 5.598 4.920 1.00 0.00 S ATOM 331 CE MET A 22 4.045 4.178 5.957 1.00 0.00 C ATOM 0 H MET A 22 6.464 5.498 1.614 1.00 0.00 H new ATOM 0 HA MET A 22 8.227 4.054 3.201 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.206 3.907 2.876 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.076 3.080 4.152 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.707 5.088 5.210 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.437 6.049 3.770 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.077 4.305 6.441 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.030 3.276 5.345 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.821 4.088 6.717 1.00 0.00 H new ATOM 341 N LEU A 23 6.578 2.180 1.031 1.00 0.00 N ATOM 342 CA LEU A 23 6.577 0.880 0.370 1.00 0.00 C ATOM 343 C LEU A 23 7.984 0.493 -0.074 1.00 0.00 C ATOM 344 O LEU A 23 8.460 -0.602 0.224 1.00 0.00 O ATOM 345 CB LEU A 23 5.637 0.899 -0.836 1.00 0.00 C ATOM 346 CG LEU A 23 4.142 0.818 -0.523 1.00 0.00 C ATOM 347 CD1 LEU A 23 3.319 1.151 -1.758 1.00 0.00 C ATOM 348 CD2 LEU A 23 3.782 -0.563 0.004 1.00 0.00 C ATOM 0 H LEU A 23 5.867 2.827 0.690 1.00 0.00 H new ATOM 0 HA LEU A 23 6.225 0.137 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.821 1.813 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.897 0.065 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 23 3.912 1.551 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.258 1.088 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.556 2.161 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.552 0.442 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.715 -0.603 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.028 -1.314 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.346 -0.763 0.915 1.00 0.00 H new ATOM 360 N GLN A 24 8.644 1.400 -0.787 1.00 0.00 N ATOM 361 CA GLN A 24 9.998 1.154 -1.270 1.00 0.00 C ATOM 362 C GLN A 24 10.898 0.662 -0.142 1.00 0.00 C ATOM 363 O GLN A 24 11.441 -0.440 -0.206 1.00 0.00 O ATOM 364 CB GLN A 24 10.581 2.427 -1.886 1.00 0.00 C ATOM 365 CG GLN A 24 9.858 2.882 -3.143 1.00 0.00 C ATOM 366 CD GLN A 24 10.189 2.025 -4.349 1.00 0.00 C ATOM 367 OE1 GLN A 24 11.337 1.975 -4.794 1.00 0.00 O ATOM 368 NE2 GLN A 24 9.184 1.344 -4.886 1.00 0.00 N ATOM 0 H GLN A 24 8.264 2.311 -1.043 1.00 0.00 H new ATOM 0 HA GLN A 24 9.949 0.378 -2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.545 3.227 -1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.632 2.258 -2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.782 2.857 -2.968 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.122 3.918 -3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.249 1.414 -4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.347 0.750 -5.699 1.00 0.00 H new ATOM 377 N GLU A 25 11.050 1.486 0.889 1.00 0.00 N ATOM 378 CA GLU A 25 11.886 1.134 2.031 1.00 0.00 C ATOM 379 C GLU A 25 11.386 -0.144 2.698 1.00 0.00 C ATOM 380 O GLU A 25 12.174 -0.940 3.209 1.00 0.00 O ATOM 381 CB GLU A 25 11.908 2.277 3.048 1.00 0.00 C ATOM 382 CG GLU A 25 12.810 3.432 2.645 1.00 0.00 C ATOM 383 CD GLU A 25 13.346 4.198 3.840 1.00 0.00 C ATOM 384 OE1 GLU A 25 13.593 3.564 4.887 1.00 0.00 O ATOM 385 OE2 GLU A 25 13.518 5.429 3.727 1.00 0.00 O ATOM 0 H GLU A 25 10.606 2.402 0.957 1.00 0.00 H new ATOM 0 HA GLU A 25 12.899 0.962 1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.893 2.650 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.238 1.889 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.646 3.048 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.255 4.114 2.000 1.00 0.00 H new ATOM 392 N ASP A 26 10.071 -0.333 2.688 1.00 0.00 N ATOM 393 CA ASP A 26 9.464 -1.514 3.291 1.00 0.00 C ATOM 394 C ASP A 26 8.932 -2.460 2.219 1.00 0.00 C ATOM 395 O ASP A 26 7.741 -2.479 1.908 1.00 0.00 O ATOM 396 CB ASP A 26 8.332 -1.107 4.236 1.00 0.00 C ATOM 397 CG ASP A 26 8.833 -0.759 5.624 1.00 0.00 C ATOM 398 OD1 ASP A 26 9.820 -0.002 5.725 1.00 0.00 O ATOM 399 OD2 ASP A 26 8.238 -1.245 6.609 1.00 0.00 O ATOM 0 H ASP A 26 9.405 0.316 2.269 1.00 0.00 H new ATOM 0 HA ASP A 26 10.233 -2.035 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.804 -0.250 3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.611 -1.922 4.307 1.00 0.00 H new ATOM 404 N PRO A 27 9.835 -3.263 1.637 1.00 0.00 N ATOM 405 CA PRO A 27 9.481 -4.225 0.590 1.00 0.00 C ATOM 406 C PRO A 27 8.649 -5.386 1.126 1.00 0.00 C ATOM 407 O PRO A 27 7.937 -6.052 0.374 1.00 0.00 O ATOM 408 CB PRO A 27 10.839 -4.726 0.093 1.00 0.00 C ATOM 409 CG PRO A 27 11.761 -4.525 1.246 1.00 0.00 C ATOM 410 CD PRO A 27 11.272 -3.294 1.958 1.00 0.00 C ATOM 0 HA PRO A 27 8.868 -3.771 -0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.792 -5.775 -0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 27 11.171 -4.167 -0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 27 11.750 -5.390 1.910 1.00 0.00 H new ATOM 0 HG3 PRO A 27 12.789 -4.397 0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.442 -3.357 3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 27 11.782 -2.397 1.606 1.00 0.00 H new ATOM 418 N VAL A 28 8.743 -5.622 2.431 1.00 0.00 N ATOM 419 CA VAL A 28 7.998 -6.701 3.068 1.00 0.00 C ATOM 420 C VAL A 28 6.542 -6.307 3.290 1.00 0.00 C ATOM 421 O VAL A 28 5.632 -7.115 3.100 1.00 0.00 O ATOM 422 CB VAL A 28 8.623 -7.093 4.420 1.00 0.00 C ATOM 423 CG1 VAL A 28 7.767 -8.135 5.123 1.00 0.00 C ATOM 424 CG2 VAL A 28 10.042 -7.604 4.221 1.00 0.00 C ATOM 0 H VAL A 28 9.328 -5.080 3.067 1.00 0.00 H new ATOM 0 HA VAL A 28 8.042 -7.556 2.394 1.00 0.00 H new ATOM 0 HB VAL A 28 8.665 -6.206 5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.225 -8.399 6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.771 -7.729 5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.691 -9.025 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.469 -7.877 5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.026 -8.479 3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.649 -6.823 3.763 1.00 0.00 H new ATOM 434 N LEU A 29 6.327 -5.059 3.693 1.00 0.00 N ATOM 435 CA LEU A 29 4.980 -4.556 3.940 1.00 0.00 C ATOM 436 C LEU A 29 4.137 -4.611 2.671 1.00 0.00 C ATOM 437 O LEU A 29 2.941 -4.899 2.719 1.00 0.00 O ATOM 438 CB LEU A 29 5.040 -3.121 4.466 1.00 0.00 C ATOM 439 CG LEU A 29 3.734 -2.327 4.399 1.00 0.00 C ATOM 440 CD1 LEU A 29 2.897 -2.572 5.645 1.00 0.00 C ATOM 441 CD2 LEU A 29 4.020 -0.842 4.230 1.00 0.00 C ATOM 0 H LEU A 29 7.068 -4.377 3.856 1.00 0.00 H new ATOM 0 HA LEU A 29 4.512 -5.192 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.372 -3.149 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.800 -2.580 3.903 1.00 0.00 H new ATOM 0 HG LEU A 29 3.168 -2.668 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.972 -1.999 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.662 -3.634 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.456 -2.259 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.079 -0.293 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.607 -0.486 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.579 -0.682 3.308 1.00 0.00 H new ATOM 453 N PHE A 30 4.768 -4.334 1.535 1.00 0.00 N ATOM 454 CA PHE A 30 4.076 -4.352 0.251 1.00 0.00 C ATOM 455 C PHE A 30 3.338 -5.673 0.051 1.00 0.00 C ATOM 456 O PHE A 30 2.168 -5.689 -0.333 1.00 0.00 O ATOM 457 CB PHE A 30 5.069 -4.132 -0.891 1.00 0.00 C ATOM 458 CG PHE A 30 4.450 -3.517 -2.114 1.00 0.00 C ATOM 459 CD1 PHE A 30 3.392 -4.139 -2.758 1.00 0.00 C ATOM 460 CD2 PHE A 30 4.926 -2.318 -2.619 1.00 0.00 C ATOM 461 CE1 PHE A 30 2.821 -3.576 -3.883 1.00 0.00 C ATOM 462 CE2 PHE A 30 4.358 -1.750 -3.745 1.00 0.00 C ATOM 463 CZ PHE A 30 3.304 -2.379 -4.377 1.00 0.00 C ATOM 0 H PHE A 30 5.758 -4.094 1.477 1.00 0.00 H new ATOM 0 HA PHE A 30 3.346 -3.543 0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.877 -3.490 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.517 -5.088 -1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.010 -5.074 -2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.750 -1.821 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.998 -4.071 -4.376 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.739 -0.815 -4.129 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.858 -1.937 -5.255 1.00 0.00 H new ATOM 473 N GLN A 31 4.030 -6.776 0.312 1.00 0.00 N ATOM 474 CA GLN A 31 3.441 -8.101 0.160 1.00 0.00 C ATOM 475 C GLN A 31 2.050 -8.154 0.783 1.00 0.00 C ATOM 476 O GLN A 31 1.118 -8.711 0.201 1.00 0.00 O ATOM 477 CB GLN A 31 4.340 -9.160 0.801 1.00 0.00 C ATOM 478 CG GLN A 31 3.729 -10.552 0.812 1.00 0.00 C ATOM 479 CD GLN A 31 3.362 -11.039 -0.576 1.00 0.00 C ATOM 480 OE1 GLN A 31 2.075 -11.274 -0.800 1.00 0.00 O flip ATOM 481 NE2 GLN A 31 4.226 -11.202 -1.438 1.00 0.00 N flip ATOM 0 H GLN A 31 4.999 -6.779 0.630 1.00 0.00 H new ATOM 0 HA GLN A 31 3.350 -8.309 -0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.288 -9.193 0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.564 -8.863 1.825 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.434 -11.250 1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.838 -10.548 1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.204 -11.009 -1.223 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.964 -11.530 -2.368 1.00 0.00 H new ATOM 490 N LEU A 32 1.916 -7.571 1.969 1.00 0.00 N ATOM 491 CA LEU A 32 0.638 -7.551 2.672 1.00 0.00 C ATOM 492 C LEU A 32 -0.403 -6.759 1.887 1.00 0.00 C ATOM 493 O LEU A 32 -1.492 -7.258 1.601 1.00 0.00 O ATOM 494 CB LEU A 32 0.810 -6.947 4.067 1.00 0.00 C ATOM 495 CG LEU A 32 1.234 -7.917 5.170 1.00 0.00 C ATOM 496 CD1 LEU A 32 0.090 -8.853 5.527 1.00 0.00 C ATOM 497 CD2 LEU A 32 2.460 -8.710 4.741 1.00 0.00 C ATOM 0 H LEU A 32 2.677 -7.106 2.464 1.00 0.00 H new ATOM 0 HA LEU A 32 0.288 -8.579 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.551 -6.150 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.133 -6.485 4.360 1.00 0.00 H new ATOM 0 HG LEU A 32 1.492 -7.338 6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.411 -9.536 6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.761 -8.270 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.200 -9.425 4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.747 -9.395 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.229 -9.278 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.283 -8.025 4.537 1.00 0.00 H new ATOM 509 N TYR A 33 -0.061 -5.523 1.541 1.00 0.00 N ATOM 510 CA TYR A 33 -0.965 -4.661 0.789 1.00 0.00 C ATOM 511 C TYR A 33 -1.513 -5.385 -0.438 1.00 0.00 C ATOM 512 O TYR A 33 -2.658 -5.174 -0.838 1.00 0.00 O ATOM 513 CB TYR A 33 -0.246 -3.381 0.361 1.00 0.00 C ATOM 514 CG TYR A 33 -0.966 -2.617 -0.727 1.00 0.00 C ATOM 515 CD1 TYR A 33 -0.916 -3.039 -2.049 1.00 0.00 C ATOM 516 CD2 TYR A 33 -1.697 -1.473 -0.432 1.00 0.00 C ATOM 517 CE1 TYR A 33 -1.572 -2.343 -3.047 1.00 0.00 C ATOM 518 CE2 TYR A 33 -2.358 -0.771 -1.422 1.00 0.00 C ATOM 519 CZ TYR A 33 -2.291 -1.210 -2.728 1.00 0.00 C ATOM 520 OH TYR A 33 -2.947 -0.515 -3.718 1.00 0.00 O ATOM 0 H TYR A 33 0.836 -5.095 1.770 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.801 -4.400 1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.126 -2.734 1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.755 -3.636 0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.355 -3.926 -2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.750 -1.126 0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.522 -2.684 -4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.923 0.115 -1.175 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.217 -1.134 -4.428 1.00 0.00 H new ATOM 530 N LYS A 34 -0.686 -6.239 -1.031 1.00 0.00 N ATOM 531 CA LYS A 34 -1.085 -6.996 -2.211 1.00 0.00 C ATOM 532 C LYS A 34 -1.995 -8.160 -1.829 1.00 0.00 C ATOM 533 O LYS A 34 -3.165 -8.196 -2.210 1.00 0.00 O ATOM 534 CB LYS A 34 0.150 -7.521 -2.947 1.00 0.00 C ATOM 535 CG LYS A 34 1.027 -6.423 -3.522 1.00 0.00 C ATOM 536 CD LYS A 34 2.403 -6.948 -3.899 1.00 0.00 C ATOM 537 CE LYS A 34 2.324 -7.951 -5.040 1.00 0.00 C ATOM 538 NZ LYS A 34 2.322 -7.280 -6.369 1.00 0.00 N ATOM 0 H LYS A 34 0.265 -6.424 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.637 -6.327 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.742 -8.125 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.171 -8.179 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.546 -5.995 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.130 -5.619 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.044 -6.116 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.864 -7.419 -3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.170 -8.636 -4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.420 -8.551 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.267 -7.997 -7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.501 -6.645 -6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.196 -6.728 -6.481 1.00 0.00 H new ATOM 552 N ASP A 35 -1.450 -9.107 -1.073 1.00 0.00 N ATOM 553 CA ASP A 35 -2.214 -10.270 -0.637 1.00 0.00 C ATOM 554 C ASP A 35 -3.621 -9.867 -0.208 1.00 0.00 C ATOM 555 O ASP A 35 -4.547 -10.679 -0.235 1.00 0.00 O ATOM 556 CB ASP A 35 -1.497 -10.974 0.516 1.00 0.00 C ATOM 557 CG ASP A 35 -1.863 -12.442 0.616 1.00 0.00 C ATOM 558 OD1 ASP A 35 -1.259 -13.255 -0.115 1.00 0.00 O ATOM 559 OD2 ASP A 35 -2.753 -12.778 1.425 1.00 0.00 O ATOM 0 H ASP A 35 -0.483 -9.092 -0.750 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.294 -10.958 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.419 -10.880 0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.746 -10.476 1.453 1.00 0.00 H new ATOM 564 N LEU A 36 -3.775 -8.609 0.189 1.00 0.00 N ATOM 565 CA LEU A 36 -5.070 -8.097 0.625 1.00 0.00 C ATOM 566 C LEU A 36 -5.764 -7.339 -0.502 1.00 0.00 C ATOM 567 O LEU A 36 -6.864 -7.699 -0.920 1.00 0.00 O ATOM 568 CB LEU A 36 -4.896 -7.183 1.839 1.00 0.00 C ATOM 569 CG LEU A 36 -4.263 -7.821 3.076 1.00 0.00 C ATOM 570 CD1 LEU A 36 -3.632 -6.758 3.962 1.00 0.00 C ATOM 571 CD2 LEU A 36 -5.299 -8.621 3.853 1.00 0.00 C ATOM 0 H LEU A 36 -3.019 -7.924 0.218 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.694 -8.946 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.285 -6.331 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.875 -6.792 2.117 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.478 -8.503 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.187 -7.231 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.860 -6.230 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.397 -6.050 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.831 -9.068 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.106 -7.960 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.703 -9.408 3.217 1.00 0.00 H new ATOM 583 N VAL A 37 -5.112 -6.289 -0.991 1.00 0.00 N ATOM 584 CA VAL A 37 -5.664 -5.482 -2.072 1.00 0.00 C ATOM 585 C VAL A 37 -5.669 -6.254 -3.387 1.00 0.00 C ATOM 586 O VAL A 37 -6.699 -6.362 -4.052 1.00 0.00 O ATOM 587 CB VAL A 37 -4.871 -4.175 -2.259 1.00 0.00 C ATOM 588 CG1 VAL A 37 -5.472 -3.341 -3.380 1.00 0.00 C ATOM 589 CG2 VAL A 37 -4.830 -3.386 -0.959 1.00 0.00 C ATOM 0 H VAL A 37 -4.201 -5.977 -0.655 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.689 -5.239 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.848 -4.428 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.898 -2.422 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.443 -3.908 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.506 -3.095 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.266 -2.466 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.846 -3.142 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.349 -3.984 -0.185 1.00 0.00 H new ATOM 599 N VAL A 38 -4.510 -6.790 -3.756 1.00 0.00 N ATOM 600 CA VAL A 38 -4.380 -7.553 -4.991 1.00 0.00 C ATOM 601 C VAL A 38 -5.265 -8.794 -4.966 1.00 0.00 C ATOM 602 O VAL A 38 -5.503 -9.421 -5.998 1.00 0.00 O ATOM 603 CB VAL A 38 -2.921 -7.982 -5.235 1.00 0.00 C ATOM 604 CG1 VAL A 38 -2.851 -9.045 -6.321 1.00 0.00 C ATOM 605 CG2 VAL A 38 -2.066 -6.778 -5.600 1.00 0.00 C ATOM 0 H VAL A 38 -3.648 -6.710 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.699 -6.899 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.528 -8.412 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.812 -9.335 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.429 -9.917 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.261 -8.645 -7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.038 -7.099 -5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.456 -6.317 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.091 -6.054 -4.786 1.00 0.00 H new ATOM 615 N SER A 39 -5.751 -9.143 -3.779 1.00 0.00 N ATOM 616 CA SER A 39 -6.609 -10.312 -3.618 1.00 0.00 C ATOM 617 C SER A 39 -8.080 -9.928 -3.744 1.00 0.00 C ATOM 618 O SER A 39 -8.966 -10.766 -3.582 1.00 0.00 O ATOM 619 CB SER A 39 -6.357 -10.972 -2.261 1.00 0.00 C ATOM 620 OG SER A 39 -7.208 -12.089 -2.072 1.00 0.00 O ATOM 0 H SER A 39 -5.566 -8.634 -2.915 1.00 0.00 H new ATOM 0 HA SER A 39 -6.368 -11.021 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.316 -11.288 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.521 -10.247 -1.464 1.00 0.00 H new ATOM 0 HG SER A 39 -8.060 -11.932 -2.529 1.00 0.00 H new ATOM 626 N GLN A 40 -8.330 -8.655 -4.033 1.00 0.00 N ATOM 627 CA GLN A 40 -9.693 -8.159 -4.180 1.00 0.00 C ATOM 628 C GLN A 40 -10.487 -8.357 -2.892 1.00 0.00 C ATOM 629 O GLN A 40 -11.702 -8.550 -2.923 1.00 0.00 O ATOM 630 CB GLN A 40 -10.394 -8.868 -5.339 1.00 0.00 C ATOM 631 CG GLN A 40 -9.641 -8.773 -6.656 1.00 0.00 C ATOM 632 CD GLN A 40 -9.958 -7.502 -7.419 1.00 0.00 C ATOM 633 OE1 GLN A 40 -10.827 -6.726 -7.022 1.00 0.00 O ATOM 634 NE2 GLN A 40 -9.253 -7.282 -8.523 1.00 0.00 N ATOM 0 H GLN A 40 -7.607 -7.949 -4.170 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.643 -7.091 -4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.529 -9.919 -5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.388 -8.441 -5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.569 -8.818 -6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.889 -9.635 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.542 -7.952 -8.816 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.423 -6.443 -9.078 1.00 0.00 H new ATOM 643 N VAL A 41 -9.790 -8.310 -1.761 1.00 0.00 N ATOM 644 CA VAL A 41 -10.430 -8.484 -0.462 1.00 0.00 C ATOM 645 C VAL A 41 -10.808 -7.140 0.149 1.00 0.00 C ATOM 646 O VAL A 41 -11.892 -6.986 0.712 1.00 0.00 O ATOM 647 CB VAL A 41 -9.513 -9.241 0.518 1.00 0.00 C ATOM 648 CG1 VAL A 41 -10.194 -9.403 1.869 1.00 0.00 C ATOM 649 CG2 VAL A 41 -9.121 -10.594 -0.057 1.00 0.00 C ATOM 0 H VAL A 41 -8.783 -8.153 -1.718 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.333 -9.070 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.604 -8.657 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.532 -9.940 2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.419 -8.420 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.120 -9.965 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.473 -11.115 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.018 -11.188 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.591 -10.449 -0.998 1.00 0.00 H new ATOM 659 N ILE A 42 -9.908 -6.169 0.033 1.00 0.00 N ATOM 660 CA ILE A 42 -10.149 -4.837 0.573 1.00 0.00 C ATOM 661 C ILE A 42 -9.704 -3.758 -0.409 1.00 0.00 C ATOM 662 O ILE A 42 -9.112 -4.054 -1.446 1.00 0.00 O ATOM 663 CB ILE A 42 -9.416 -4.631 1.911 1.00 0.00 C ATOM 664 CG1 ILE A 42 -7.909 -4.817 1.727 1.00 0.00 C ATOM 665 CG2 ILE A 42 -9.950 -5.594 2.961 1.00 0.00 C ATOM 666 CD1 ILE A 42 -7.088 -4.289 2.882 1.00 0.00 C ATOM 0 H ILE A 42 -9.006 -6.280 -0.430 1.00 0.00 H new ATOM 0 HA ILE A 42 -11.223 -4.753 0.740 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.597 -3.612 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.696 -5.878 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.598 -4.314 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -9.422 -5.436 3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.015 -5.417 3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -9.796 -6.620 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.029 -4.455 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.272 -3.221 3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.370 -4.810 3.797 1.00 0.00 H new ATOM 678 N SER A 43 -9.992 -2.504 -0.073 1.00 0.00 N ATOM 679 CA SER A 43 -9.624 -1.380 -0.925 1.00 0.00 C ATOM 680 C SER A 43 -8.329 -0.734 -0.442 1.00 0.00 C ATOM 681 O SER A 43 -8.086 -0.627 0.759 1.00 0.00 O ATOM 682 CB SER A 43 -10.747 -0.342 -0.950 1.00 0.00 C ATOM 683 OG SER A 43 -11.916 -0.870 -1.552 1.00 0.00 O ATOM 0 H SER A 43 -10.479 -2.242 0.784 1.00 0.00 H new ATOM 0 HA SER A 43 -9.467 -1.758 -1.935 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.972 -0.020 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.418 0.541 -1.499 1.00 0.00 H new ATOM 0 HG SER A 43 -12.620 -0.188 -1.554 1.00 0.00 H new ATOM 689 N ALA A 44 -7.501 -0.304 -1.389 1.00 0.00 N ATOM 690 CA ALA A 44 -6.232 0.334 -1.061 1.00 0.00 C ATOM 691 C ALA A 44 -6.399 1.341 0.072 1.00 0.00 C ATOM 692 O ALA A 44 -5.590 1.387 0.997 1.00 0.00 O ATOM 693 CB ALA A 44 -5.650 1.014 -2.292 1.00 0.00 C ATOM 0 H ALA A 44 -7.686 -0.386 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.541 -0.440 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.702 1.486 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.484 0.272 -3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.346 1.771 -2.653 1.00 0.00 H new ATOM 699 N GLU A 45 -7.455 2.146 -0.009 1.00 0.00 N ATOM 700 CA GLU A 45 -7.726 3.153 1.010 1.00 0.00 C ATOM 701 C GLU A 45 -7.832 2.514 2.392 1.00 0.00 C ATOM 702 O GLU A 45 -7.313 3.044 3.373 1.00 0.00 O ATOM 703 CB GLU A 45 -9.018 3.905 0.683 1.00 0.00 C ATOM 704 CG GLU A 45 -8.832 5.021 -0.332 1.00 0.00 C ATOM 705 CD GLU A 45 -7.635 5.899 -0.022 1.00 0.00 C ATOM 706 OE1 GLU A 45 -7.692 6.651 0.973 1.00 0.00 O ATOM 707 OE2 GLU A 45 -6.641 5.833 -0.775 1.00 0.00 O ATOM 0 H GLU A 45 -8.135 2.120 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.895 3.858 1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.754 3.197 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.426 4.325 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.712 4.588 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.732 5.636 -0.359 1.00 0.00 H new ATOM 714 N GLU A 46 -8.510 1.372 2.459 1.00 0.00 N ATOM 715 CA GLU A 46 -8.685 0.661 3.720 1.00 0.00 C ATOM 716 C GLU A 46 -7.338 0.241 4.300 1.00 0.00 C ATOM 717 O GLU A 46 -7.057 0.469 5.477 1.00 0.00 O ATOM 718 CB GLU A 46 -9.573 -0.569 3.519 1.00 0.00 C ATOM 719 CG GLU A 46 -10.071 -1.180 4.818 1.00 0.00 C ATOM 720 CD GLU A 46 -11.414 -1.866 4.663 1.00 0.00 C ATOM 721 OE1 GLU A 46 -11.436 -3.030 4.211 1.00 0.00 O ATOM 722 OE2 GLU A 46 -12.442 -1.239 4.993 1.00 0.00 O ATOM 0 H GLU A 46 -8.947 0.920 1.655 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.169 1.338 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.430 -0.291 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.015 -1.323 2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.338 -1.901 5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.151 -0.400 5.575 1.00 0.00 H new ATOM 729 N PHE A 47 -6.508 -0.376 3.465 1.00 0.00 N ATOM 730 CA PHE A 47 -5.190 -0.830 3.894 1.00 0.00 C ATOM 731 C PHE A 47 -4.487 0.244 4.719 1.00 0.00 C ATOM 732 O PHE A 47 -4.225 0.056 5.907 1.00 0.00 O ATOM 733 CB PHE A 47 -4.334 -1.199 2.680 1.00 0.00 C ATOM 734 CG PHE A 47 -2.966 -1.702 3.042 1.00 0.00 C ATOM 735 CD1 PHE A 47 -2.786 -3.004 3.480 1.00 0.00 C ATOM 736 CD2 PHE A 47 -1.861 -0.872 2.946 1.00 0.00 C ATOM 737 CE1 PHE A 47 -1.528 -3.471 3.813 1.00 0.00 C ATOM 738 CE2 PHE A 47 -0.601 -1.333 3.277 1.00 0.00 C ATOM 739 CZ PHE A 47 -0.434 -2.634 3.713 1.00 0.00 C ATOM 0 H PHE A 47 -6.725 -0.573 2.488 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.323 -1.714 4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.851 -1.963 2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.233 -0.324 2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.638 -3.662 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.986 0.146 2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.401 -4.489 4.151 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.253 -0.677 3.195 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.550 -2.995 3.975 1.00 0.00 H new ATOM 749 N TRP A 48 -4.183 1.368 4.080 1.00 0.00 N ATOM 750 CA TRP A 48 -3.510 2.472 4.755 1.00 0.00 C ATOM 751 C TRP A 48 -4.364 3.017 5.894 1.00 0.00 C ATOM 752 O TRP A 48 -3.853 3.335 6.967 1.00 0.00 O ATOM 753 CB TRP A 48 -3.194 3.588 3.758 1.00 0.00 C ATOM 754 CG TRP A 48 -2.283 3.155 2.649 1.00 0.00 C ATOM 755 CD1 TRP A 48 -2.608 3.013 1.330 1.00 0.00 C ATOM 756 CD2 TRP A 48 -0.900 2.805 2.763 1.00 0.00 C ATOM 757 NE1 TRP A 48 -1.510 2.596 0.618 1.00 0.00 N ATOM 758 CE2 TRP A 48 -0.449 2.462 1.474 1.00 0.00 C ATOM 759 CE3 TRP A 48 0.003 2.750 3.829 1.00 0.00 C ATOM 760 CZ2 TRP A 48 0.863 2.069 1.224 1.00 0.00 C ATOM 761 CZ3 TRP A 48 1.305 2.360 3.580 1.00 0.00 C ATOM 762 CH2 TRP A 48 1.726 2.024 2.286 1.00 0.00 C ATOM 0 H TRP A 48 -4.392 1.539 3.096 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.578 2.094 5.175 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.126 3.957 3.330 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.736 4.422 4.290 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.585 3.201 0.909 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.488 2.415 -0.386 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.312 3.008 4.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.189 1.809 0.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.010 2.313 4.396 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.751 1.724 2.124 1.00 0.00 H new ATOM 773 N ALA A 49 -5.667 3.122 5.653 1.00 0.00 N ATOM 774 CA ALA A 49 -6.592 3.626 6.660 1.00 0.00 C ATOM 775 C ALA A 49 -6.168 3.195 8.060 1.00 0.00 C ATOM 776 O ALA A 49 -6.093 4.013 8.975 1.00 0.00 O ATOM 777 CB ALA A 49 -8.006 3.149 6.364 1.00 0.00 C ATOM 0 H ALA A 49 -6.105 2.865 4.769 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.573 4.715 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.686 3.533 7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.315 3.512 5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.031 2.059 6.372 1.00 0.00 H new ATOM 783 N ASN A 50 -5.892 1.905 8.218 1.00 0.00 N ATOM 784 CA ASN A 50 -5.476 1.365 9.508 1.00 0.00 C ATOM 785 C ASN A 50 -3.959 1.426 9.660 1.00 0.00 C ATOM 786 O ASN A 50 -3.445 1.762 10.727 1.00 0.00 O ATOM 787 CB ASN A 50 -5.958 -0.080 9.658 1.00 0.00 C ATOM 788 CG ASN A 50 -7.464 -0.203 9.530 1.00 0.00 C ATOM 789 OD1 ASN A 50 -7.996 -0.312 8.425 1.00 0.00 O ATOM 790 ND2 ASN A 50 -8.157 -0.188 10.662 1.00 0.00 N ATOM 0 H ASN A 50 -5.949 1.214 7.470 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.926 1.975 10.292 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.480 -0.700 8.900 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.646 -0.465 10.629 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.174 -0.269 10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.673 -0.096 11.555 1.00 0.00 H new ATOM 797 N ARG A 51 -3.249 1.098 8.585 1.00 0.00 N ATOM 798 CA ARG A 51 -1.791 1.115 8.599 1.00 0.00 C ATOM 799 C ARG A 51 -1.269 2.302 9.403 1.00 0.00 C ATOM 800 O ARG A 51 -0.383 2.153 10.247 1.00 0.00 O ATOM 801 CB ARG A 51 -1.247 1.174 7.171 1.00 0.00 C ATOM 802 CG ARG A 51 0.154 0.603 7.029 1.00 0.00 C ATOM 803 CD ARG A 51 1.214 1.630 7.394 1.00 0.00 C ATOM 804 NE ARG A 51 2.514 1.012 7.639 1.00 0.00 N ATOM 805 CZ ARG A 51 2.814 0.344 8.748 1.00 0.00 C ATOM 806 NH1 ARG A 51 1.910 0.210 9.709 1.00 0.00 N ATOM 807 NH2 ARG A 51 4.019 -0.190 8.897 1.00 0.00 N ATOM 0 H ARG A 51 -3.659 0.818 7.694 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.446 0.197 9.074 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.921 0.628 6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.243 2.211 6.835 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.258 -0.272 7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.309 0.267 6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.305 2.359 6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.899 2.176 8.283 1.00 0.00 H new ATOM 0 HE ARG A 51 3.232 1.098 6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.983 0.620 9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.142 -0.303 10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.717 -0.088 8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.248 -0.702 9.749 1.00 0.00 H new ATOM 821 N LEU A 52 -1.822 3.480 9.136 1.00 0.00 N ATOM 822 CA LEU A 52 -1.412 4.694 9.834 1.00 0.00 C ATOM 823 C LEU A 52 -2.252 4.911 11.088 1.00 0.00 C ATOM 824 O LEU A 52 -3.127 5.776 11.119 1.00 0.00 O ATOM 825 CB LEU A 52 -1.534 5.905 8.908 1.00 0.00 C ATOM 826 CG LEU A 52 -0.585 5.932 7.710 1.00 0.00 C ATOM 827 CD1 LEU A 52 -1.140 5.093 6.569 1.00 0.00 C ATOM 828 CD2 LEU A 52 -0.344 7.364 7.253 1.00 0.00 C ATOM 0 H LEU A 52 -2.555 3.621 8.441 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.370 4.577 10.133 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.558 5.951 8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.368 6.806 9.498 1.00 0.00 H new ATOM 0 HG LEU A 52 0.369 5.504 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.451 5.125 5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.260 4.062 6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.107 5.491 6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.334 7.364 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.292 7.818 6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.099 7.936 8.068 1.00 0.00 H new ATOM 840 N ASN A 53 -1.979 4.122 12.122 1.00 0.00 N ATOM 841 CA ASN A 53 -2.709 4.229 13.380 1.00 0.00 C ATOM 842 C ASN A 53 -2.113 5.320 14.264 1.00 0.00 C ATOM 843 O ASN A 53 -2.838 6.066 14.922 1.00 0.00 O ATOM 844 CB ASN A 53 -2.690 2.890 14.120 1.00 0.00 C ATOM 845 CG ASN A 53 -3.669 1.891 13.535 1.00 0.00 C ATOM 846 OD1 ASN A 53 -3.276 0.828 13.054 1.00 0.00 O ATOM 847 ND2 ASN A 53 -4.953 2.230 13.573 1.00 0.00 N ATOM 0 H ASN A 53 -1.257 3.401 12.114 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.741 4.495 13.151 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.684 2.472 14.083 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.929 3.055 15.171 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.659 1.599 13.194 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.233 3.122 13.981 1.00 0.00 H new ATOM 854 N VAL A 54 -0.787 5.409 14.272 1.00 0.00 N ATOM 855 CA VAL A 54 -0.092 6.410 15.073 1.00 0.00 C ATOM 856 C VAL A 54 0.931 7.170 14.237 1.00 0.00 C ATOM 857 O VAL A 54 1.139 8.367 14.429 1.00 0.00 O ATOM 858 CB VAL A 54 0.620 5.768 16.278 1.00 0.00 C ATOM 859 CG1 VAL A 54 1.339 6.828 17.100 1.00 0.00 C ATOM 860 CG2 VAL A 54 -0.372 4.999 17.137 1.00 0.00 C ATOM 0 H VAL A 54 -0.172 4.800 13.733 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.848 7.106 15.436 1.00 0.00 H new ATOM 0 HB VAL A 54 1.364 5.064 15.905 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.836 6.356 17.947 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.080 7.330 16.478 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.616 7.558 17.464 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.149 4.552 17.984 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.141 5.680 17.503 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.836 4.213 16.541 1.00 0.00 H new ATOM 870 N ASN A 55 1.568 6.465 13.307 1.00 0.00 N ATOM 871 CA ASN A 55 2.570 7.073 12.440 1.00 0.00 C ATOM 872 C ASN A 55 2.144 8.475 12.015 1.00 0.00 C ATOM 873 O ASN A 55 1.240 8.638 11.194 1.00 0.00 O ATOM 874 CB ASN A 55 2.802 6.201 11.204 1.00 0.00 C ATOM 875 CG ASN A 55 4.099 6.538 10.494 1.00 0.00 C ATOM 876 OD1 ASN A 55 4.095 7.167 9.436 1.00 0.00 O ATOM 877 ND2 ASN A 55 5.218 6.120 11.075 1.00 0.00 N ATOM 0 H ASN A 55 1.408 5.472 13.135 1.00 0.00 H new ATOM 0 HA ASN A 55 3.501 7.151 13.002 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.815 5.152 11.500 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.969 6.327 10.512 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.121 6.318 10.644 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.174 5.602 11.952 1.00 0.00 H new ATOM 884 N SER A 56 2.800 9.484 12.578 1.00 0.00 N ATOM 885 CA SER A 56 2.487 10.872 12.260 1.00 0.00 C ATOM 886 C SER A 56 3.761 11.671 12.003 1.00 0.00 C ATOM 887 O SER A 56 4.841 11.304 12.464 1.00 0.00 O ATOM 888 CB SER A 56 1.691 11.511 13.399 1.00 0.00 C ATOM 889 OG SER A 56 0.434 10.879 13.561 1.00 0.00 O ATOM 0 H SER A 56 3.552 9.366 13.257 1.00 0.00 H new ATOM 0 HA SER A 56 1.883 10.884 11.353 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.259 11.441 14.327 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.544 12.571 13.194 1.00 0.00 H new ATOM 0 HG SER A 56 0.568 9.954 13.857 1.00 0.00 H new ATOM 895 N GLY A 57 3.626 12.767 11.263 1.00 0.00 N ATOM 896 CA GLY A 57 4.773 13.602 10.957 1.00 0.00 C ATOM 897 C GLY A 57 4.803 14.872 11.784 1.00 0.00 C ATOM 898 O GLY A 57 3.766 15.442 12.123 1.00 0.00 O ATOM 0 H GLY A 57 2.743 13.092 10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.688 13.036 11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.757 13.862 9.899 1.00 0.00 H new ATOM 902 N PRO A 58 6.016 15.332 12.123 1.00 0.00 N ATOM 903 CA PRO A 58 6.207 16.547 12.921 1.00 0.00 C ATOM 904 C PRO A 58 5.834 17.810 12.153 1.00 0.00 C ATOM 905 O PRO A 58 5.610 17.769 10.943 1.00 0.00 O ATOM 906 CB PRO A 58 7.705 16.534 13.234 1.00 0.00 C ATOM 907 CG PRO A 58 8.316 15.741 12.131 1.00 0.00 C ATOM 908 CD PRO A 58 7.296 14.703 11.753 1.00 0.00 C ATOM 0 HA PRO A 58 5.573 16.556 13.807 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.111 17.545 13.267 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.903 16.079 14.205 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.558 16.378 11.280 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.246 15.274 12.455 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.336 14.469 10.689 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.455 13.769 12.291 1.00 0.00 H new ATOM 916 N SER A 59 5.770 18.932 12.862 1.00 0.00 N ATOM 917 CA SER A 59 5.421 20.207 12.247 1.00 0.00 C ATOM 918 C SER A 59 6.673 20.954 11.796 1.00 0.00 C ATOM 919 O SER A 59 7.795 20.538 12.086 1.00 0.00 O ATOM 920 CB SER A 59 4.625 21.070 13.228 1.00 0.00 C ATOM 921 OG SER A 59 3.351 20.506 13.485 1.00 0.00 O ATOM 0 H SER A 59 5.955 18.984 13.864 1.00 0.00 H new ATOM 0 HA SER A 59 4.805 20.003 11.371 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.178 21.168 14.162 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.506 22.074 12.821 1.00 0.00 H new ATOM 0 HG SER A 59 2.863 21.075 14.116 1.00 0.00 H new ATOM 927 N SER A 60 6.472 22.058 11.084 1.00 0.00 N ATOM 928 CA SER A 60 7.584 22.861 10.588 1.00 0.00 C ATOM 929 C SER A 60 7.900 24.003 11.550 1.00 0.00 C ATOM 930 O SER A 60 9.019 24.118 12.047 1.00 0.00 O ATOM 931 CB SER A 60 7.257 23.422 9.203 1.00 0.00 C ATOM 932 OG SER A 60 7.390 22.425 8.205 1.00 0.00 O ATOM 0 H SER A 60 5.550 22.417 10.838 1.00 0.00 H new ATOM 0 HA SER A 60 8.461 22.218 10.514 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.240 23.814 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.922 24.256 8.979 1.00 0.00 H new ATOM 0 HG SER A 60 7.174 22.808 7.329 1.00 0.00 H new ATOM 938 N GLY A 61 6.903 24.844 11.808 1.00 0.00 N ATOM 939 CA GLY A 61 7.094 25.966 12.708 1.00 0.00 C ATOM 940 C GLY A 61 6.476 25.727 14.072 1.00 0.00 C ATOM 941 O GLY A 61 7.014 26.162 15.089 1.00 0.00 O ATOM 0 H GLY A 61 5.967 24.768 11.410 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.161 26.157 12.824 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.656 26.861 12.266 1.00 0.00 H new TER 945 GLY A 61