USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 471 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 3 LYS NZ :NH3+ 164:sc= -0.0322 (180deg=-0.398) USER MOD Single : A 4 THR OG1 : rot 15:sc= 0.978 USER MOD Single : A 8 ASN : amide:sc= -3! C(o=-3!,f=-8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.054 K(o=-0.054,f=-2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 90:sc= -0.0402 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0269 (180deg=-0.331) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.355 K(o=-0.36,f=-2.2!) USER MOD Single : A 33 THR OG1 : rot 132:sc= 0.648 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.772 X(o=-0.77,f=-0.84) USER MOD Single : A 55 TYR OH : rot 165:sc= -0.223 USER MOD Single : A 58 LYS NZ :NH3+ -148:sc= -1.39 (180deg=-2.11!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= 0.233 (180deg=-0.31) USER MOD ----------------------------------------------------------------- ATOM 28 N LYS A 3 7.777 5.668 7.023 1.00 0.00 N ATOM 29 CA LYS A 3 8.368 4.569 6.200 1.00 0.00 C ATOM 30 C LYS A 3 7.773 4.608 4.796 1.00 0.00 C ATOM 31 O LYS A 3 6.699 5.135 4.582 1.00 0.00 O ATOM 32 CB LYS A 3 8.040 3.227 6.847 1.00 0.00 C ATOM 33 CG LYS A 3 8.803 3.104 8.164 1.00 0.00 C ATOM 34 CD LYS A 3 8.487 1.755 8.812 1.00 0.00 C ATOM 35 CE LYS A 3 9.325 1.588 10.080 1.00 0.00 C ATOM 36 NZ LYS A 3 8.942 2.634 11.072 1.00 0.00 N ATOM 0 HA LYS A 3 9.449 4.697 6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.968 3.148 7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.312 2.411 6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.875 3.192 7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.524 3.916 8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.426 1.696 9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.700 0.946 8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.169 0.596 10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.385 1.669 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.299 2.368 12.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.354 3.547 10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.906 2.717 11.106 1.00 0.00 H new ATOM 50 N THR A 4 8.468 4.055 3.835 1.00 0.00 N ATOM 51 CA THR A 4 7.959 4.045 2.430 1.00 0.00 C ATOM 52 C THR A 4 8.079 2.634 1.858 1.00 0.00 C ATOM 53 O THR A 4 9.162 2.101 1.695 1.00 0.00 O ATOM 54 CB THR A 4 8.779 5.021 1.588 1.00 0.00 C ATOM 55 OG1 THR A 4 10.118 4.560 1.494 1.00 0.00 O ATOM 56 CG2 THR A 4 8.753 6.399 2.252 1.00 0.00 C ATOM 0 H THR A 4 9.375 3.606 3.965 1.00 0.00 H new ATOM 0 HA THR A 4 6.913 4.350 2.414 1.00 0.00 H new ATOM 0 HB THR A 4 8.354 5.090 0.586 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.162 3.623 1.777 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.336 7.101 1.656 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.723 6.750 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.181 6.329 3.252 1.00 0.00 H new ATOM 64 N GLY A 5 6.962 2.024 1.565 1.00 0.00 N ATOM 65 CA GLY A 5 6.971 0.640 1.012 1.00 0.00 C ATOM 66 C GLY A 5 7.003 0.682 -0.514 1.00 0.00 C ATOM 67 O GLY A 5 6.316 1.471 -1.143 1.00 0.00 O ATOM 0 H GLY A 5 6.034 2.430 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.839 0.097 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.087 0.100 1.350 1.00 0.00 H new ATOM 71 N ILE A 6 7.800 -0.165 -1.115 1.00 0.00 N ATOM 72 CA ILE A 6 7.889 -0.190 -2.603 1.00 0.00 C ATOM 73 C ILE A 6 6.890 -1.210 -3.155 1.00 0.00 C ATOM 74 O ILE A 6 6.929 -2.382 -2.822 1.00 0.00 O ATOM 75 CB ILE A 6 9.315 -0.569 -3.015 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.254 0.614 -2.738 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.357 -0.911 -4.509 1.00 0.00 C ATOM 78 CD1 ILE A 6 10.203 1.007 -1.256 1.00 0.00 C ATOM 0 H ILE A 6 8.394 -0.842 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 6 7.649 0.794 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 6 9.634 -1.439 -2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.274 0.348 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.968 1.465 -3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.375 -1.179 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.692 -1.751 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.035 -0.047 -5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.875 1.847 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.186 1.294 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.512 0.160 -0.644 1.00 0.00 H new ATOM 90 N VAL A 7 5.997 -0.770 -3.999 1.00 0.00 N ATOM 91 CA VAL A 7 4.992 -1.700 -4.580 1.00 0.00 C ATOM 92 C VAL A 7 5.627 -2.525 -5.699 1.00 0.00 C ATOM 93 O VAL A 7 6.297 -2.002 -6.570 1.00 0.00 O ATOM 94 CB VAL A 7 3.824 -0.890 -5.134 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.864 -1.815 -5.886 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.086 -0.224 -3.972 1.00 0.00 C ATOM 0 H VAL A 7 5.921 0.198 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 7 4.634 -2.378 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 7 4.198 -0.130 -5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.031 -1.232 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.392 -2.296 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.484 -2.576 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.249 0.358 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.713 -0.989 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.770 0.435 -3.437 1.00 0.00 H new ATOM 106 N ASN A 8 5.416 -3.815 -5.681 1.00 0.00 N ATOM 107 CA ASN A 8 5.995 -4.697 -6.738 1.00 0.00 C ATOM 108 C ASN A 8 4.949 -5.723 -7.170 1.00 0.00 C ATOM 109 O ASN A 8 4.598 -6.622 -6.430 1.00 0.00 O ATOM 110 CB ASN A 8 7.221 -5.413 -6.179 1.00 0.00 C ATOM 111 CG ASN A 8 7.816 -6.322 -7.253 1.00 0.00 C ATOM 112 OD1 ASN A 8 7.162 -6.641 -8.228 1.00 0.00 O ATOM 113 ND2 ASN A 8 9.037 -6.757 -7.118 1.00 0.00 N ATOM 0 H ASN A 8 4.863 -4.299 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 8 6.288 -4.098 -7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.963 -4.684 -5.853 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.944 -6.000 -5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.444 -7.364 -7.829 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.586 -6.490 -6.301 1.00 0.00 H new ATOM 120 N VAL A 9 4.445 -5.592 -8.369 1.00 0.00 N ATOM 121 CA VAL A 9 3.416 -6.553 -8.866 1.00 0.00 C ATOM 122 C VAL A 9 3.616 -6.790 -10.363 1.00 0.00 C ATOM 123 O VAL A 9 4.075 -5.929 -11.088 1.00 0.00 O ATOM 124 CB VAL A 9 2.009 -5.989 -8.617 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.718 -5.984 -7.114 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.912 -4.556 -9.163 1.00 0.00 C ATOM 0 H VAL A 9 4.703 -4.858 -9.028 1.00 0.00 H new ATOM 0 HA VAL A 9 3.522 -7.497 -8.332 1.00 0.00 H new ATOM 0 HB VAL A 9 1.279 -6.616 -9.129 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.720 -5.584 -6.938 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.774 -7.002 -6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.453 -5.362 -6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.911 -4.165 -8.982 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.645 -3.925 -8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.111 -4.561 -10.235 1.00 0.00 H new ATOM 136 N SER A 10 3.269 -7.957 -10.826 1.00 0.00 N ATOM 137 CA SER A 10 3.424 -8.278 -12.273 1.00 0.00 C ATOM 138 C SER A 10 2.527 -7.365 -13.112 1.00 0.00 C ATOM 139 O SER A 10 2.929 -6.857 -14.141 1.00 0.00 O ATOM 140 CB SER A 10 3.016 -9.731 -12.502 1.00 0.00 C ATOM 141 OG SER A 10 3.192 -10.061 -13.873 1.00 0.00 O ATOM 0 H SER A 10 2.881 -8.710 -10.259 1.00 0.00 H new ATOM 0 HA SER A 10 4.462 -8.126 -12.569 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.617 -10.392 -11.878 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.976 -9.878 -12.212 1.00 0.00 H new ATOM 0 HG SER A 10 2.932 -10.994 -14.021 1.00 0.00 H new ATOM 147 N SER A 11 1.305 -7.171 -12.684 1.00 0.00 N ATOM 148 CA SER A 11 0.351 -6.307 -13.450 1.00 0.00 C ATOM 149 C SER A 11 0.096 -5.006 -12.691 1.00 0.00 C ATOM 150 O SER A 11 0.601 -3.958 -13.039 1.00 0.00 O ATOM 151 CB SER A 11 -0.973 -7.051 -13.612 1.00 0.00 C ATOM 152 OG SER A 11 -1.834 -6.298 -14.456 1.00 0.00 O ATOM 0 H SER A 11 0.923 -7.577 -11.830 1.00 0.00 H new ATOM 0 HA SER A 11 0.780 -6.077 -14.425 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.799 -8.039 -14.039 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.440 -7.202 -12.639 1.00 0.00 H new ATOM 0 HG SER A 11 -2.684 -6.773 -14.564 1.00 0.00 H new ATOM 158 N SER A 12 -0.698 -5.063 -11.658 1.00 0.00 N ATOM 159 CA SER A 12 -1.000 -3.825 -10.886 1.00 0.00 C ATOM 160 C SER A 12 -1.431 -4.200 -9.471 1.00 0.00 C ATOM 161 O SER A 12 -1.734 -5.344 -9.188 1.00 0.00 O ATOM 162 CB SER A 12 -2.128 -3.059 -11.573 1.00 0.00 C ATOM 163 OG SER A 12 -3.323 -3.826 -11.505 1.00 0.00 O ATOM 0 H SER A 12 -1.150 -5.911 -11.316 1.00 0.00 H new ATOM 0 HA SER A 12 -0.109 -3.199 -10.842 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.274 -2.093 -11.090 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.868 -2.860 -12.613 1.00 0.00 H new ATOM 0 HG SER A 12 -4.051 -3.337 -11.943 1.00 0.00 H new ATOM 169 N LEU A 13 -1.453 -3.239 -8.575 1.00 0.00 N ATOM 170 CA LEU A 13 -1.854 -3.520 -7.159 1.00 0.00 C ATOM 171 C LEU A 13 -3.148 -2.777 -6.826 1.00 0.00 C ATOM 172 O LEU A 13 -3.271 -1.584 -7.027 1.00 0.00 O ATOM 173 CB LEU A 13 -0.736 -3.056 -6.216 1.00 0.00 C ATOM 174 CG LEU A 13 -1.158 -3.255 -4.750 1.00 0.00 C ATOM 175 CD1 LEU A 13 -1.552 -4.721 -4.504 1.00 0.00 C ATOM 176 CD2 LEU A 13 0.010 -2.877 -3.833 1.00 0.00 C ATOM 0 H LEU A 13 -1.209 -2.267 -8.766 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.018 -4.590 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.176 -3.617 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.511 -2.005 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.017 -2.619 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.849 -4.848 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.385 -4.988 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.702 -5.368 -4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.284 -3.016 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.868 -3.512 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.279 -1.833 -3.997 1.00 0.00 H new ATOM 188 N ASN A 14 -4.115 -3.487 -6.310 1.00 0.00 N ATOM 189 CA ASN A 14 -5.414 -2.855 -5.950 1.00 0.00 C ATOM 190 C ASN A 14 -5.324 -2.227 -4.557 1.00 0.00 C ATOM 191 O ASN A 14 -4.595 -2.688 -3.699 1.00 0.00 O ATOM 192 CB ASN A 14 -6.506 -3.922 -5.956 1.00 0.00 C ATOM 193 CG ASN A 14 -6.803 -4.335 -7.398 1.00 0.00 C ATOM 194 OD1 ASN A 14 -6.464 -3.628 -8.326 1.00 0.00 O ATOM 195 ND2 ASN A 14 -7.425 -5.458 -7.627 1.00 0.00 N ATOM 0 H ASN A 14 -4.058 -4.488 -6.121 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.650 -2.076 -6.675 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.187 -4.788 -5.376 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.409 -3.537 -5.483 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.627 -5.743 -8.585 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.710 -6.051 -6.848 1.00 0.00 H new ATOM 202 N VAL A 15 -6.067 -1.175 -4.325 1.00 0.00 N ATOM 203 CA VAL A 15 -6.039 -0.506 -2.991 1.00 0.00 C ATOM 204 C VAL A 15 -7.251 -0.957 -2.175 1.00 0.00 C ATOM 205 O VAL A 15 -8.370 -0.954 -2.652 1.00 0.00 O ATOM 206 CB VAL A 15 -6.085 1.008 -3.192 1.00 0.00 C ATOM 207 CG1 VAL A 15 -6.260 1.703 -1.840 1.00 0.00 C ATOM 208 CG2 VAL A 15 -4.776 1.468 -3.836 1.00 0.00 C ATOM 0 H VAL A 15 -6.695 -0.749 -5.007 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.127 -0.775 -2.458 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.924 1.265 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.292 2.783 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.190 1.372 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.422 1.450 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.802 2.548 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.940 1.210 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.651 0.974 -4.800 1.00 0.00 H new ATOM 218 N ARG A 16 -7.033 -1.357 -0.947 1.00 0.00 N ATOM 219 CA ARG A 16 -8.160 -1.829 -0.087 1.00 0.00 C ATOM 220 C ARG A 16 -8.531 -0.751 0.931 1.00 0.00 C ATOM 221 O ARG A 16 -7.684 -0.146 1.561 1.00 0.00 O ATOM 222 CB ARG A 16 -7.720 -3.094 0.651 1.00 0.00 C ATOM 223 CG ARG A 16 -7.559 -4.234 -0.357 1.00 0.00 C ATOM 224 CD ARG A 16 -7.065 -5.491 0.363 1.00 0.00 C ATOM 225 NE ARG A 16 -6.883 -6.589 -0.630 1.00 0.00 N ATOM 226 CZ ARG A 16 -6.323 -7.715 -0.276 1.00 0.00 C ATOM 227 NH1 ARG A 16 -5.908 -7.889 0.949 1.00 0.00 N ATOM 228 NH2 ARG A 16 -6.179 -8.670 -1.154 1.00 0.00 N ATOM 0 H ARG A 16 -6.116 -1.377 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.029 -2.040 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.779 -2.917 1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.457 -3.363 1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.511 -4.435 -0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.852 -3.947 -1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.123 -5.286 0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.782 -5.792 1.127 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.198 -6.460 -1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.020 -7.144 1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.472 -8.770 1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.503 -8.535 -2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.742 -9.551 -0.882 1.00 0.00 H new ATOM 242 N GLU A 17 -9.801 -0.515 1.093 1.00 0.00 N ATOM 243 CA GLU A 17 -10.266 0.511 2.065 1.00 0.00 C ATOM 244 C GLU A 17 -10.029 0.009 3.490 1.00 0.00 C ATOM 245 O GLU A 17 -9.554 0.730 4.349 1.00 0.00 O ATOM 246 CB GLU A 17 -11.765 0.733 1.857 1.00 0.00 C ATOM 247 CG GLU A 17 -12.240 1.921 2.692 1.00 0.00 C ATOM 248 CD GLU A 17 -11.673 3.212 2.103 1.00 0.00 C ATOM 249 OE1 GLU A 17 -11.092 3.145 1.033 1.00 0.00 O ATOM 250 OE2 GLU A 17 -11.833 4.247 2.729 1.00 0.00 O ATOM 0 H GLU A 17 -10.546 -0.995 0.587 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.719 1.442 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.971 0.914 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.316 -0.164 2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.329 1.960 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.915 1.806 3.726 1.00 0.00 H new ATOM 257 N GLY A 18 -10.373 -1.225 3.752 1.00 0.00 N ATOM 258 CA GLY A 18 -10.189 -1.788 5.124 1.00 0.00 C ATOM 259 C GLY A 18 -8.910 -2.623 5.189 1.00 0.00 C ATOM 260 O GLY A 18 -8.264 -2.879 4.192 1.00 0.00 O ATOM 0 H GLY A 18 -10.775 -1.870 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.140 -0.979 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.048 -2.405 5.389 1.00 0.00 H new ATOM 264 N ALA A 19 -8.549 -3.059 6.366 1.00 0.00 N ATOM 265 CA ALA A 19 -7.324 -3.892 6.526 1.00 0.00 C ATOM 266 C ALA A 19 -7.716 -5.370 6.416 1.00 0.00 C ATOM 267 O ALA A 19 -6.941 -6.259 6.716 1.00 0.00 O ATOM 268 CB ALA A 19 -6.719 -3.619 7.907 1.00 0.00 C ATOM 0 H ALA A 19 -9.056 -2.871 7.231 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.594 -3.649 5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.821 -4.223 8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.461 -2.563 7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.444 -3.876 8.679 1.00 0.00 H new ATOM 274 N SER A 20 -8.922 -5.635 5.993 1.00 0.00 N ATOM 275 CA SER A 20 -9.385 -7.046 5.867 1.00 0.00 C ATOM 276 C SER A 20 -8.731 -7.714 4.652 1.00 0.00 C ATOM 277 O SER A 20 -8.084 -7.076 3.845 1.00 0.00 O ATOM 278 CB SER A 20 -10.906 -7.070 5.703 1.00 0.00 C ATOM 279 OG SER A 20 -11.517 -6.818 6.961 1.00 0.00 O ATOM 0 H SER A 20 -9.610 -4.930 5.728 1.00 0.00 H new ATOM 0 HA SER A 20 -9.102 -7.593 6.766 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.217 -6.318 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.227 -8.038 5.317 1.00 0.00 H new ATOM 0 HG SER A 20 -12.492 -6.831 6.860 1.00 0.00 H new ATOM 285 N THR A 21 -8.902 -9.002 4.526 1.00 0.00 N ATOM 286 CA THR A 21 -8.306 -9.737 3.373 1.00 0.00 C ATOM 287 C THR A 21 -8.906 -9.228 2.062 1.00 0.00 C ATOM 288 O THR A 21 -8.204 -8.999 1.096 1.00 0.00 O ATOM 289 CB THR A 21 -8.610 -11.228 3.522 1.00 0.00 C ATOM 290 OG1 THR A 21 -8.278 -11.649 4.837 1.00 0.00 O ATOM 291 CG2 THR A 21 -7.795 -12.024 2.503 1.00 0.00 C ATOM 0 H THR A 21 -9.433 -9.581 5.177 1.00 0.00 H new ATOM 0 HA THR A 21 -7.228 -9.574 3.359 1.00 0.00 H new ATOM 0 HB THR A 21 -9.671 -11.402 3.344 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.474 -12.604 4.934 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.014 -13.086 2.612 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.057 -11.701 1.495 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.732 -11.853 2.674 1.00 0.00 H new ATOM 299 N SER A 22 -10.202 -9.058 2.017 1.00 0.00 N ATOM 300 CA SER A 22 -10.864 -8.570 0.766 1.00 0.00 C ATOM 301 C SER A 22 -11.808 -7.419 1.112 1.00 0.00 C ATOM 302 O SER A 22 -13.017 -7.553 1.078 1.00 0.00 O ATOM 303 CB SER A 22 -11.648 -9.721 0.136 1.00 0.00 C ATOM 304 OG SER A 22 -12.074 -9.343 -1.166 1.00 0.00 O ATOM 0 H SER A 22 -10.835 -9.237 2.796 1.00 0.00 H new ATOM 0 HA SER A 22 -10.115 -8.215 0.059 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.025 -10.614 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.510 -9.971 0.755 1.00 0.00 H new ATOM 0 HG SER A 22 -12.576 -10.080 -1.573 1.00 0.00 H new ATOM 310 N SER A 23 -11.255 -6.287 1.455 1.00 0.00 N ATOM 311 CA SER A 23 -12.099 -5.112 1.818 1.00 0.00 C ATOM 312 C SER A 23 -12.550 -4.367 0.556 1.00 0.00 C ATOM 313 O SER A 23 -12.178 -4.704 -0.551 1.00 0.00 O ATOM 314 CB SER A 23 -11.295 -4.162 2.709 1.00 0.00 C ATOM 315 OG SER A 23 -12.190 -3.345 3.453 1.00 0.00 O ATOM 0 H SER A 23 -10.249 -6.125 1.500 1.00 0.00 H new ATOM 0 HA SER A 23 -12.980 -5.465 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.657 -4.731 3.385 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.639 -3.541 2.099 1.00 0.00 H new ATOM 0 HG SER A 23 -12.407 -3.785 4.301 1.00 0.00 H new ATOM 321 N LYS A 24 -13.353 -3.354 0.731 1.00 0.00 N ATOM 322 CA LYS A 24 -13.853 -2.568 -0.431 1.00 0.00 C ATOM 323 C LYS A 24 -12.693 -1.872 -1.149 1.00 0.00 C ATOM 324 O LYS A 24 -11.836 -1.260 -0.539 1.00 0.00 O ATOM 325 CB LYS A 24 -14.845 -1.520 0.073 1.00 0.00 C ATOM 326 CG LYS A 24 -15.492 -0.809 -1.115 1.00 0.00 C ATOM 327 CD LYS A 24 -16.571 0.151 -0.609 1.00 0.00 C ATOM 328 CE LYS A 24 -17.241 0.840 -1.799 1.00 0.00 C ATOM 329 NZ LYS A 24 -16.263 1.744 -2.467 1.00 0.00 N ATOM 0 H LYS A 24 -13.687 -3.034 1.640 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.341 -3.241 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.611 -1.995 0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.333 -0.796 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.738 -0.260 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.930 -1.539 -1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.313 -0.394 -0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.129 0.895 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.605 0.095 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.107 1.410 -1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.772 2.416 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.726 2.268 -1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.608 1.180 -3.045 1.00 0.00 H new ATOM 343 N VAL A 25 -12.671 -1.962 -2.454 1.00 0.00 N ATOM 344 CA VAL A 25 -11.584 -1.314 -3.241 1.00 0.00 C ATOM 345 C VAL A 25 -12.073 0.037 -3.767 1.00 0.00 C ATOM 346 O VAL A 25 -13.122 0.140 -4.374 1.00 0.00 O ATOM 347 CB VAL A 25 -11.214 -2.219 -4.418 1.00 0.00 C ATOM 348 CG1 VAL A 25 -10.252 -1.485 -5.359 1.00 0.00 C ATOM 349 CG2 VAL A 25 -10.539 -3.486 -3.887 1.00 0.00 C ATOM 0 H VAL A 25 -13.365 -2.461 -3.010 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.710 -1.159 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.118 -2.484 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.993 -2.136 -6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.731 -0.582 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.347 -1.215 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.273 -4.134 -4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.638 -3.215 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.225 -4.012 -3.223 1.00 0.00 H new ATOM 359 N ILE A 26 -11.308 1.072 -3.538 1.00 0.00 N ATOM 360 CA ILE A 26 -11.692 2.433 -4.018 1.00 0.00 C ATOM 361 C ILE A 26 -10.832 2.805 -5.229 1.00 0.00 C ATOM 362 O ILE A 26 -11.018 3.838 -5.842 1.00 0.00 O ATOM 363 CB ILE A 26 -11.469 3.441 -2.883 1.00 0.00 C ATOM 364 CG1 ILE A 26 -10.010 3.377 -2.403 1.00 0.00 C ATOM 365 CG2 ILE A 26 -12.401 3.097 -1.719 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.736 4.535 -1.439 1.00 0.00 C ATOM 0 H ILE A 26 -10.423 1.032 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.741 2.445 -4.312 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.681 4.447 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.821 2.425 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.333 3.432 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.248 3.809 -0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.437 3.146 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.183 2.090 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.701 4.489 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.908 5.482 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.403 4.459 -0.581 1.00 0.00 H new ATOM 378 N GLY A 27 -9.888 1.973 -5.582 1.00 0.00 N ATOM 379 CA GLY A 27 -9.024 2.301 -6.753 1.00 0.00 C ATOM 380 C GLY A 27 -7.855 1.315 -6.850 1.00 0.00 C ATOM 381 O GLY A 27 -7.916 0.206 -6.357 1.00 0.00 O ATOM 0 H GLY A 27 -9.679 1.090 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.614 2.266 -7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.643 3.318 -6.658 1.00 0.00 H new ATOM 385 N SER A 28 -6.790 1.717 -7.496 1.00 0.00 N ATOM 386 CA SER A 28 -5.611 0.813 -7.643 1.00 0.00 C ATOM 387 C SER A 28 -4.355 1.649 -7.907 1.00 0.00 C ATOM 388 O SER A 28 -4.436 2.816 -8.240 1.00 0.00 O ATOM 389 CB SER A 28 -5.835 -0.137 -8.820 1.00 0.00 C ATOM 390 OG SER A 28 -5.862 0.612 -10.027 1.00 0.00 O ATOM 0 H SER A 28 -6.687 2.635 -7.929 1.00 0.00 H new ATOM 0 HA SER A 28 -5.485 0.237 -6.726 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.040 -0.882 -8.858 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.773 -0.678 -8.693 1.00 0.00 H new ATOM 0 HG SER A 28 -6.004 0.007 -10.785 1.00 0.00 H new ATOM 396 N LEU A 29 -3.194 1.054 -7.761 1.00 0.00 N ATOM 397 CA LEU A 29 -1.914 1.798 -7.997 1.00 0.00 C ATOM 398 C LEU A 29 -1.043 1.037 -8.996 1.00 0.00 C ATOM 399 O LEU A 29 -1.073 -0.176 -9.077 1.00 0.00 O ATOM 400 CB LEU A 29 -1.157 1.940 -6.675 1.00 0.00 C ATOM 401 CG LEU A 29 -1.989 2.771 -5.689 1.00 0.00 C ATOM 402 CD1 LEU A 29 -1.270 2.817 -4.337 1.00 0.00 C ATOM 403 CD2 LEU A 29 -2.178 4.204 -6.226 1.00 0.00 C ATOM 0 H LEU A 29 -3.077 0.079 -7.487 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.145 2.784 -8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.953 0.955 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.193 2.419 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.970 2.310 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.857 3.406 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.152 1.804 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.288 3.274 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.770 4.783 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.204 4.675 -6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.694 4.168 -7.185 1.00 0.00 H new ATOM 415 N SER A 30 -0.273 1.759 -9.762 1.00 0.00 N ATOM 416 CA SER A 30 0.606 1.120 -10.779 1.00 0.00 C ATOM 417 C SER A 30 1.797 0.434 -10.105 1.00 0.00 C ATOM 418 O SER A 30 2.190 0.768 -9.003 1.00 0.00 O ATOM 419 CB SER A 30 1.115 2.190 -11.741 1.00 0.00 C ATOM 420 OG SER A 30 0.071 2.550 -12.633 1.00 0.00 O ATOM 0 H SER A 30 -0.215 2.777 -9.725 1.00 0.00 H new ATOM 0 HA SER A 30 0.032 0.369 -11.322 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.453 3.065 -11.185 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.973 1.816 -12.299 1.00 0.00 H new ATOM 0 HG SER A 30 0.392 3.238 -13.252 1.00 0.00 H new ATOM 426 N GLY A 31 2.366 -0.529 -10.774 1.00 0.00 N ATOM 427 CA GLY A 31 3.530 -1.268 -10.209 1.00 0.00 C ATOM 428 C GLY A 31 4.722 -0.332 -9.980 1.00 0.00 C ATOM 429 O GLY A 31 4.856 0.705 -10.603 1.00 0.00 O ATOM 0 H GLY A 31 2.071 -0.840 -11.700 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.245 -1.735 -9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.819 -2.070 -10.888 1.00 0.00 H new ATOM 433 N ASN A 32 5.593 -0.711 -9.082 1.00 0.00 N ATOM 434 CA ASN A 32 6.796 0.115 -8.776 1.00 0.00 C ATOM 435 C ASN A 32 6.366 1.513 -8.323 1.00 0.00 C ATOM 436 O ASN A 32 7.035 2.496 -8.580 1.00 0.00 O ATOM 437 CB ASN A 32 7.683 0.220 -10.021 1.00 0.00 C ATOM 438 CG ASN A 32 9.060 0.753 -9.619 1.00 0.00 C ATOM 439 OD1 ASN A 32 9.508 0.533 -8.510 1.00 0.00 O ATOM 440 ND2 ASN A 32 9.756 1.449 -10.476 1.00 0.00 N ATOM 0 H ASN A 32 5.519 -1.572 -8.540 1.00 0.00 H new ATOM 0 HA ASN A 32 7.361 -0.360 -7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.783 -0.757 -10.494 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.224 0.883 -10.754 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.675 1.808 -10.215 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.381 1.634 -11.406 1.00 0.00 H new ATOM 447 N THR A 33 5.256 1.606 -7.638 1.00 0.00 N ATOM 448 CA THR A 33 4.776 2.936 -7.151 1.00 0.00 C ATOM 449 C THR A 33 5.193 3.134 -5.689 1.00 0.00 C ATOM 450 O THR A 33 5.025 2.263 -4.854 1.00 0.00 O ATOM 451 CB THR A 33 3.252 3.003 -7.274 1.00 0.00 C ATOM 452 OG1 THR A 33 2.901 3.033 -8.649 1.00 0.00 O ATOM 453 CG2 THR A 33 2.732 4.268 -6.587 1.00 0.00 C ATOM 0 H THR A 33 4.659 0.816 -7.394 1.00 0.00 H new ATOM 0 HA THR A 33 5.221 3.727 -7.755 1.00 0.00 H new ATOM 0 HB THR A 33 2.808 2.130 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.198 2.372 -8.822 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.647 4.311 -6.677 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.008 4.249 -5.533 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.171 5.146 -7.061 1.00 0.00 H new ATOM 461 N LYS A 34 5.746 4.277 -5.382 1.00 0.00 N ATOM 462 CA LYS A 34 6.188 4.551 -3.986 1.00 0.00 C ATOM 463 C LYS A 34 4.995 4.980 -3.132 1.00 0.00 C ATOM 464 O LYS A 34 4.257 5.881 -3.486 1.00 0.00 O ATOM 465 CB LYS A 34 7.227 5.674 -4.004 1.00 0.00 C ATOM 466 CG LYS A 34 7.750 5.915 -2.586 1.00 0.00 C ATOM 467 CD LYS A 34 8.844 6.986 -2.617 1.00 0.00 C ATOM 468 CE LYS A 34 9.375 7.208 -1.199 1.00 0.00 C ATOM 469 NZ LYS A 34 10.461 8.226 -1.228 1.00 0.00 N ATOM 0 H LYS A 34 5.911 5.036 -6.043 1.00 0.00 H new ATOM 0 HA LYS A 34 6.622 3.646 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.051 5.409 -4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.782 6.588 -4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.935 6.232 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.146 4.988 -2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.654 6.675 -3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.445 7.918 -3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.568 7.540 -0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.752 6.271 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.822 8.377 -0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.234 7.892 -1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.087 9.122 -1.602 1.00 0.00 H new ATOM 483 N VAL A 35 4.811 4.346 -1.997 1.00 0.00 N ATOM 484 CA VAL A 35 3.675 4.709 -1.093 1.00 0.00 C ATOM 485 C VAL A 35 4.206 4.956 0.321 1.00 0.00 C ATOM 486 O VAL A 35 5.006 4.200 0.839 1.00 0.00 O ATOM 487 CB VAL A 35 2.648 3.577 -1.077 1.00 0.00 C ATOM 488 CG1 VAL A 35 1.887 3.576 -2.403 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.356 2.232 -0.897 1.00 0.00 C ATOM 0 H VAL A 35 5.403 3.588 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 35 3.195 5.617 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 35 1.955 3.728 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.152 2.771 -2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.378 4.531 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.587 3.425 -3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.617 1.431 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.052 2.074 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.904 2.233 0.045 1.00 0.00 H new ATOM 499 N THR A 36 3.772 6.020 0.942 1.00 0.00 N ATOM 500 CA THR A 36 4.248 6.333 2.318 1.00 0.00 C ATOM 501 C THR A 36 3.443 5.523 3.330 1.00 0.00 C ATOM 502 O THR A 36 2.223 5.573 3.356 1.00 0.00 O ATOM 503 CB THR A 36 4.058 7.825 2.588 1.00 0.00 C ATOM 504 OG1 THR A 36 4.685 8.571 1.554 1.00 0.00 O ATOM 505 CG2 THR A 36 4.684 8.193 3.933 1.00 0.00 C ATOM 0 H THR A 36 3.106 6.687 0.553 1.00 0.00 H new ATOM 0 HA THR A 36 5.304 6.077 2.409 1.00 0.00 H new ATOM 0 HB THR A 36 2.993 8.055 2.615 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.564 9.529 1.722 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.545 9.258 4.120 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.204 7.620 4.727 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.749 7.964 3.913 1.00 0.00 H new ATOM 513 N ILE A 37 4.130 4.776 4.159 1.00 0.00 N ATOM 514 CA ILE A 37 3.454 3.932 5.185 1.00 0.00 C ATOM 515 C ILE A 37 3.477 4.626 6.546 1.00 0.00 C ATOM 516 O ILE A 37 4.486 5.160 6.974 1.00 0.00 O ATOM 517 CB ILE A 37 4.187 2.592 5.301 1.00 0.00 C ATOM 518 CG1 ILE A 37 4.030 1.811 3.994 1.00 0.00 C ATOM 519 CG2 ILE A 37 3.596 1.775 6.454 1.00 0.00 C ATOM 520 CD1 ILE A 37 4.982 0.612 3.986 1.00 0.00 C ATOM 0 H ILE A 37 5.148 4.717 4.166 1.00 0.00 H new ATOM 0 HA ILE A 37 2.419 3.773 4.881 1.00 0.00 H new ATOM 0 HB ILE A 37 5.244 2.777 5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.000 1.470 3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.242 2.460 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.121 0.823 6.532 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.707 2.328 7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.538 1.592 6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.865 0.061 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.010 0.963 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.750 -0.043 4.826 1.00 0.00 H new ATOM 532 N VAL A 38 2.362 4.595 7.234 1.00 0.00 N ATOM 533 CA VAL A 38 2.271 5.214 8.587 1.00 0.00 C ATOM 534 C VAL A 38 2.137 4.090 9.617 1.00 0.00 C ATOM 535 O VAL A 38 2.178 4.314 10.810 1.00 0.00 O ATOM 536 CB VAL A 38 1.040 6.125 8.648 1.00 0.00 C ATOM 537 CG1 VAL A 38 1.179 7.235 7.605 1.00 0.00 C ATOM 538 CG2 VAL A 38 -0.225 5.312 8.355 1.00 0.00 C ATOM 0 H VAL A 38 1.499 4.159 6.907 1.00 0.00 H new ATOM 0 HA VAL A 38 3.160 5.809 8.796 1.00 0.00 H new ATOM 0 HB VAL A 38 0.965 6.561 9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.305 7.885 7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.075 7.819 7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.256 6.793 6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.096 5.966 8.400 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.152 4.872 7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.328 4.519 9.096 1.00 0.00 H new ATOM 548 N GLY A 39 1.986 2.874 9.160 1.00 0.00 N ATOM 549 CA GLY A 39 1.858 1.739 10.115 1.00 0.00 C ATOM 550 C GLY A 39 1.346 0.491 9.393 1.00 0.00 C ATOM 551 O GLY A 39 1.187 0.472 8.188 1.00 0.00 O ATOM 0 H GLY A 39 1.946 2.621 8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.824 1.531 10.574 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.174 2.008 10.920 1.00 0.00 H new ATOM 555 N GLU A 40 1.083 -0.557 10.134 1.00 0.00 N ATOM 556 CA GLU A 40 0.577 -1.822 9.519 1.00 0.00 C ATOM 557 C GLU A 40 -0.483 -2.434 10.430 1.00 0.00 C ATOM 558 O GLU A 40 -0.422 -2.309 11.638 1.00 0.00 O ATOM 559 CB GLU A 40 1.734 -2.810 9.337 1.00 0.00 C ATOM 560 CG GLU A 40 2.394 -3.089 10.691 1.00 0.00 C ATOM 561 CD GLU A 40 3.555 -4.066 10.501 1.00 0.00 C ATOM 562 OE1 GLU A 40 3.689 -4.588 9.406 1.00 0.00 O ATOM 563 OE2 GLU A 40 4.295 -4.267 11.449 1.00 0.00 O ATOM 0 H GLU A 40 1.198 -0.590 11.147 1.00 0.00 H new ATOM 0 HA GLU A 40 0.140 -1.603 8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.366 -3.740 8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.467 -2.402 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.756 -2.159 11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.664 -3.506 11.384 1.00 0.00 H new ATOM 570 N GLU A 41 -1.462 -3.089 9.864 1.00 0.00 N ATOM 571 CA GLU A 41 -2.535 -3.699 10.706 1.00 0.00 C ATOM 572 C GLU A 41 -3.023 -5.004 10.074 1.00 0.00 C ATOM 573 O GLU A 41 -3.510 -5.030 8.961 1.00 0.00 O ATOM 574 CB GLU A 41 -3.707 -2.721 10.815 1.00 0.00 C ATOM 575 CG GLU A 41 -3.271 -1.451 11.567 1.00 0.00 C ATOM 576 CD GLU A 41 -2.566 -0.486 10.607 1.00 0.00 C ATOM 577 OE1 GLU A 41 -2.355 -0.864 9.465 1.00 0.00 O ATOM 578 OE2 GLU A 41 -2.249 0.614 11.031 1.00 0.00 O ATOM 0 H GLU A 41 -1.566 -3.228 8.859 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.134 -3.912 11.697 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.065 -2.458 9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.538 -3.195 11.338 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.140 -0.965 12.010 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.602 -1.715 12.386 1.00 0.00 H new ATOM 585 N GLY A 42 -2.902 -6.087 10.794 1.00 0.00 N ATOM 586 CA GLY A 42 -3.361 -7.405 10.269 1.00 0.00 C ATOM 587 C GLY A 42 -2.441 -7.872 9.141 1.00 0.00 C ATOM 588 O GLY A 42 -2.867 -8.550 8.227 1.00 0.00 O ATOM 0 H GLY A 42 -2.501 -6.115 11.732 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.368 -8.142 11.072 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.384 -7.323 9.903 1.00 0.00 H new ATOM 592 N ALA A 43 -1.186 -7.513 9.198 1.00 0.00 N ATOM 593 CA ALA A 43 -0.226 -7.932 8.130 1.00 0.00 C ATOM 594 C ALA A 43 -0.438 -7.055 6.892 1.00 0.00 C ATOM 595 O ALA A 43 0.084 -7.327 5.825 1.00 0.00 O ATOM 596 CB ALA A 43 -0.446 -9.417 7.775 1.00 0.00 C ATOM 0 H ALA A 43 -0.781 -6.945 9.942 1.00 0.00 H new ATOM 0 HA ALA A 43 0.796 -7.810 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.257 -9.713 6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.286 -10.031 8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.465 -9.558 7.416 1.00 0.00 H new ATOM 602 N PHE A 44 -1.203 -6.002 7.034 1.00 0.00 N ATOM 603 CA PHE A 44 -1.468 -5.086 5.881 1.00 0.00 C ATOM 604 C PHE A 44 -0.844 -3.724 6.165 1.00 0.00 C ATOM 605 O PHE A 44 -1.016 -3.156 7.226 1.00 0.00 O ATOM 606 CB PHE A 44 -2.978 -4.920 5.700 1.00 0.00 C ATOM 607 CG PHE A 44 -3.596 -6.256 5.365 1.00 0.00 C ATOM 608 CD1 PHE A 44 -3.640 -6.695 4.037 1.00 0.00 C ATOM 609 CD2 PHE A 44 -4.124 -7.057 6.386 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.213 -7.934 3.728 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.697 -8.296 6.076 1.00 0.00 C ATOM 612 CZ PHE A 44 -4.741 -8.736 4.747 1.00 0.00 C ATOM 0 H PHE A 44 -1.659 -5.735 7.906 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.035 -5.507 4.974 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.422 -4.520 6.612 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.183 -4.203 4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.232 -6.078 3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.089 -6.719 7.411 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.248 -8.272 2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.106 -8.913 6.862 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.182 -9.693 4.509 1.00 0.00 H new ATOM 622 N TYR A 45 -0.119 -3.198 5.218 1.00 0.00 N ATOM 623 CA TYR A 45 0.528 -1.875 5.417 1.00 0.00 C ATOM 624 C TYR A 45 -0.492 -0.759 5.206 1.00 0.00 C ATOM 625 O TYR A 45 -1.308 -0.810 4.308 1.00 0.00 O ATOM 626 CB TYR A 45 1.673 -1.713 4.412 1.00 0.00 C ATOM 627 CG TYR A 45 2.870 -2.525 4.861 1.00 0.00 C ATOM 628 CD1 TYR A 45 3.513 -2.212 6.065 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.342 -3.584 4.074 1.00 0.00 C ATOM 630 CE1 TYR A 45 4.622 -2.952 6.482 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.454 -4.323 4.493 1.00 0.00 C ATOM 632 CZ TYR A 45 5.094 -4.008 5.696 1.00 0.00 C ATOM 633 OH TYR A 45 6.189 -4.738 6.108 1.00 0.00 O ATOM 0 H TYR A 45 0.053 -3.631 4.311 1.00 0.00 H new ATOM 0 HA TYR A 45 0.918 -1.816 6.433 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.350 -2.040 3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.947 -0.662 4.326 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.150 -1.396 6.673 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.848 -3.829 3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.115 -2.709 7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.819 -5.138 3.886 1.00 0.00 H new ATOM 0 HH TYR A 45 6.385 -5.435 5.448 1.00 0.00 H new ATOM 643 N LYS A 46 -0.441 0.258 6.025 1.00 0.00 N ATOM 644 CA LYS A 46 -1.395 1.393 5.878 1.00 0.00 C ATOM 645 C LYS A 46 -0.679 2.534 5.169 1.00 0.00 C ATOM 646 O LYS A 46 0.324 3.037 5.638 1.00 0.00 O ATOM 647 CB LYS A 46 -1.853 1.856 7.259 1.00 0.00 C ATOM 648 CG LYS A 46 -2.910 2.950 7.102 1.00 0.00 C ATOM 649 CD LYS A 46 -3.423 3.371 8.481 1.00 0.00 C ATOM 650 CE LYS A 46 -4.497 4.449 8.319 1.00 0.00 C ATOM 651 NZ LYS A 46 -5.007 4.850 9.660 1.00 0.00 N ATOM 0 H LYS A 46 0.224 0.350 6.793 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.265 1.081 5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.263 1.016 7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.004 2.234 7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.484 3.809 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.736 2.586 6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.834 2.509 9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.600 3.751 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.083 5.315 7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.315 4.072 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.737 5.583 9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.417 4.022 10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.223 5.226 10.231 1.00 0.00 H new ATOM 665 N ILE A 47 -1.185 2.935 4.030 1.00 0.00 N ATOM 666 CA ILE A 47 -0.541 4.034 3.251 1.00 0.00 C ATOM 667 C ILE A 47 -1.544 5.141 2.965 1.00 0.00 C ATOM 668 O ILE A 47 -2.742 4.956 3.050 1.00 0.00 O ATOM 669 CB ILE A 47 -0.010 3.479 1.930 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.140 2.760 1.179 1.00 0.00 C ATOM 671 CG2 ILE A 47 1.132 2.504 2.213 1.00 0.00 C ATOM 672 CD1 ILE A 47 -0.672 2.402 -0.233 1.00 0.00 C ATOM 0 H ILE A 47 -2.025 2.544 3.603 1.00 0.00 H new ATOM 0 HA ILE A 47 0.281 4.445 3.838 1.00 0.00 H new ATOM 0 HB ILE A 47 0.360 4.297 1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.430 1.857 1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.022 3.399 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.513 2.107 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.933 3.024 2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.766 1.684 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.475 1.892 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.403 3.312 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.197 1.746 -0.173 1.00 0.00 H new ATOM 684 N GLU A 48 -1.047 6.298 2.631 1.00 0.00 N ATOM 685 CA GLU A 48 -1.945 7.456 2.338 1.00 0.00 C ATOM 686 C GLU A 48 -2.293 7.474 0.843 1.00 0.00 C ATOM 687 O GLU A 48 -1.424 7.502 -0.007 1.00 0.00 O ATOM 688 CB GLU A 48 -1.236 8.770 2.731 1.00 0.00 C ATOM 689 CG GLU A 48 0.283 8.561 2.732 1.00 0.00 C ATOM 690 CD GLU A 48 0.734 8.050 1.361 1.00 0.00 C ATOM 691 OE1 GLU A 48 0.662 8.813 0.413 1.00 0.00 O ATOM 692 OE2 GLU A 48 1.147 6.903 1.284 1.00 0.00 O ATOM 0 H GLU A 48 -0.050 6.496 2.547 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.864 7.359 2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.503 9.561 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.569 9.092 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.789 9.498 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.561 7.846 3.507 1.00 0.00 H new ATOM 699 N TYR A 49 -3.564 7.466 0.522 1.00 0.00 N ATOM 700 CA TYR A 49 -3.992 7.491 -0.909 1.00 0.00 C ATOM 701 C TYR A 49 -5.093 8.535 -1.104 1.00 0.00 C ATOM 702 O TYR A 49 -6.148 8.464 -0.502 1.00 0.00 O ATOM 703 CB TYR A 49 -4.516 6.113 -1.305 1.00 0.00 C ATOM 704 CG TYR A 49 -5.069 6.174 -2.709 1.00 0.00 C ATOM 705 CD1 TYR A 49 -4.197 6.255 -3.800 1.00 0.00 C ATOM 706 CD2 TYR A 49 -6.453 6.157 -2.917 1.00 0.00 C ATOM 707 CE1 TYR A 49 -4.710 6.317 -5.101 1.00 0.00 C ATOM 708 CE2 TYR A 49 -6.965 6.219 -4.218 1.00 0.00 C ATOM 709 CZ TYR A 49 -6.094 6.299 -5.309 1.00 0.00 C ATOM 710 OH TYR A 49 -6.597 6.358 -6.592 1.00 0.00 O ATOM 0 H TYR A 49 -4.328 7.443 1.197 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.139 7.751 -1.536 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.714 5.377 -1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.292 5.793 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.129 6.270 -3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.125 6.096 -2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.038 6.379 -5.944 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.033 6.205 -4.379 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.576 6.334 -6.561 1.00 0.00 H new ATOM 720 N LYS A 50 -4.846 9.495 -1.957 1.00 0.00 N ATOM 721 CA LYS A 50 -5.854 10.564 -2.238 1.00 0.00 C ATOM 722 C LYS A 50 -6.572 10.976 -0.946 1.00 0.00 C ATOM 723 O LYS A 50 -7.784 11.087 -0.895 1.00 0.00 O ATOM 724 CB LYS A 50 -6.865 10.048 -3.269 1.00 0.00 C ATOM 725 CG LYS A 50 -7.576 11.232 -3.934 1.00 0.00 C ATOM 726 CD LYS A 50 -8.473 10.722 -5.062 1.00 0.00 C ATOM 727 CE LYS A 50 -9.155 11.908 -5.744 1.00 0.00 C ATOM 728 NZ LYS A 50 -10.003 11.416 -6.865 1.00 0.00 N ATOM 0 H LYS A 50 -3.975 9.586 -2.480 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.346 11.441 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.356 9.447 -4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.594 9.399 -2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.171 11.772 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.842 11.935 -4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.882 10.162 -5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.222 10.037 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.766 12.453 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.406 12.605 -6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.467 12.223 -7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.409 10.914 -7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.726 10.767 -6.494 1.00 0.00 H new ATOM 742 N GLY A 51 -5.823 11.211 0.096 1.00 0.00 N ATOM 743 CA GLY A 51 -6.438 11.625 1.390 1.00 0.00 C ATOM 744 C GLY A 51 -6.845 10.386 2.190 1.00 0.00 C ATOM 745 O GLY A 51 -6.523 10.250 3.354 1.00 0.00 O ATOM 0 H GLY A 51 -4.806 11.134 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.731 12.224 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.310 12.252 1.205 1.00 0.00 H new ATOM 749 N SER A 52 -7.561 9.484 1.575 1.00 0.00 N ATOM 750 CA SER A 52 -8.007 8.261 2.300 1.00 0.00 C ATOM 751 C SER A 52 -6.836 7.293 2.490 1.00 0.00 C ATOM 752 O SER A 52 -5.962 7.175 1.653 1.00 0.00 O ATOM 753 CB SER A 52 -9.116 7.583 1.496 1.00 0.00 C ATOM 754 OG SER A 52 -10.325 8.309 1.677 1.00 0.00 O ATOM 0 H SER A 52 -7.856 9.542 0.600 1.00 0.00 H new ATOM 0 HA SER A 52 -8.382 8.543 3.284 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.850 7.551 0.439 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.243 6.551 1.824 1.00 0.00 H new ATOM 0 HG SER A 52 -11.043 7.883 1.163 1.00 0.00 H new ATOM 760 N HIS A 53 -6.817 6.598 3.597 1.00 0.00 N ATOM 761 CA HIS A 53 -5.711 5.639 3.866 1.00 0.00 C ATOM 762 C HIS A 53 -6.006 4.299 3.187 1.00 0.00 C ATOM 763 O HIS A 53 -7.005 3.656 3.451 1.00 0.00 O ATOM 764 CB HIS A 53 -5.583 5.432 5.371 1.00 0.00 C ATOM 765 CG HIS A 53 -5.298 6.754 6.029 1.00 0.00 C ATOM 766 ND1 HIS A 53 -4.060 7.371 5.941 1.00 0.00 N ATOM 767 CD2 HIS A 53 -6.081 7.591 6.786 1.00 0.00 C ATOM 768 CE1 HIS A 53 -4.132 8.525 6.627 1.00 0.00 C ATOM 769 NE2 HIS A 53 -5.341 8.709 7.163 1.00 0.00 N ATOM 0 H HIS A 53 -7.525 6.656 4.329 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.779 6.040 3.469 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.502 5.004 5.771 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.782 4.725 5.586 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.113 7.410 7.049 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.311 9.219 6.732 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.655 9.499 7.727 1.00 0.00 H new ATOM 777 N GLY A 54 -5.136 3.882 2.309 1.00 0.00 N ATOM 778 CA GLY A 54 -5.334 2.590 1.590 1.00 0.00 C ATOM 779 C GLY A 54 -4.538 1.483 2.281 1.00 0.00 C ATOM 780 O GLY A 54 -3.488 1.721 2.846 1.00 0.00 O ATOM 0 H GLY A 54 -4.287 4.387 2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.393 2.332 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.013 2.688 0.553 1.00 0.00 H new ATOM 784 N TYR A 55 -5.035 0.272 2.234 1.00 0.00 N ATOM 785 CA TYR A 55 -4.328 -0.878 2.880 1.00 0.00 C ATOM 786 C TYR A 55 -3.881 -1.877 1.814 1.00 0.00 C ATOM 787 O TYR A 55 -4.572 -2.121 0.844 1.00 0.00 O ATOM 788 CB TYR A 55 -5.276 -1.568 3.853 1.00 0.00 C ATOM 789 CG TYR A 55 -5.585 -0.628 4.991 1.00 0.00 C ATOM 790 CD1 TYR A 55 -6.629 0.298 4.873 1.00 0.00 C ATOM 791 CD2 TYR A 55 -4.824 -0.680 6.164 1.00 0.00 C ATOM 792 CE1 TYR A 55 -6.911 1.171 5.929 1.00 0.00 C ATOM 793 CE2 TYR A 55 -5.107 0.192 7.221 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.150 1.117 7.103 1.00 0.00 C ATOM 795 OH TYR A 55 -6.429 1.977 8.146 1.00 0.00 O ATOM 0 H TYR A 55 -5.910 0.028 1.770 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.453 -0.509 3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.195 -1.855 3.342 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.823 -2.483 4.234 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.216 0.338 3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.018 -1.393 6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.715 1.886 5.839 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.521 0.151 8.127 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.984 1.660 8.960 1.00 0.00 H new ATOM 805 N VAL A 56 -2.725 -2.462 1.994 1.00 0.00 N ATOM 806 CA VAL A 56 -2.218 -3.457 1.004 1.00 0.00 C ATOM 807 C VAL A 56 -1.530 -4.606 1.741 1.00 0.00 C ATOM 808 O VAL A 56 -1.029 -4.448 2.837 1.00 0.00 O ATOM 809 CB VAL A 56 -1.217 -2.782 0.068 1.00 0.00 C ATOM 810 CG1 VAL A 56 -1.942 -1.732 -0.773 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.114 -2.106 0.889 1.00 0.00 C ATOM 0 H VAL A 56 -2.108 -2.292 2.788 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.054 -3.847 0.422 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.770 -3.531 -0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.231 -1.248 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.724 -2.213 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.389 -0.985 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.597 -1.626 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.556 -1.356 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.403 -2.854 1.490 1.00 0.00 H new ATOM 821 N ALA A 57 -1.503 -5.764 1.142 1.00 0.00 N ATOM 822 CA ALA A 57 -0.851 -6.934 1.793 1.00 0.00 C ATOM 823 C ALA A 57 0.672 -6.799 1.722 1.00 0.00 C ATOM 824 O ALA A 57 1.229 -6.377 0.727 1.00 0.00 O ATOM 825 CB ALA A 57 -1.291 -8.214 1.080 1.00 0.00 C ATOM 0 H ALA A 57 -1.907 -5.951 0.224 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.148 -6.975 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.817 -9.075 1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.374 -8.314 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.996 -8.167 0.032 1.00 0.00 H new ATOM 831 N LYS A 58 1.346 -7.164 2.778 1.00 0.00 N ATOM 832 CA LYS A 58 2.835 -7.077 2.800 1.00 0.00 C ATOM 833 C LYS A 58 3.426 -8.053 1.776 1.00 0.00 C ATOM 834 O LYS A 58 4.610 -8.042 1.498 1.00 0.00 O ATOM 835 CB LYS A 58 3.321 -7.436 4.206 1.00 0.00 C ATOM 836 CG LYS A 58 2.879 -8.865 4.561 1.00 0.00 C ATOM 837 CD LYS A 58 2.873 -9.043 6.084 1.00 0.00 C ATOM 838 CE LYS A 58 4.217 -8.603 6.664 1.00 0.00 C ATOM 839 NZ LYS A 58 5.324 -9.129 5.813 1.00 0.00 N ATOM 0 H LYS A 58 0.925 -7.522 3.635 1.00 0.00 H new ATOM 0 HA LYS A 58 3.156 -6.067 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.407 -7.359 4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.917 -6.730 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.884 -9.058 4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.554 -9.589 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.067 -8.456 6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.682 -10.086 6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.266 -7.515 6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.322 -8.971 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.155 -9.325 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.017 -10.006 5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.573 -8.423 5.091 1.00 0.00 H new ATOM 853 N GLU A 59 2.606 -8.895 1.218 1.00 0.00 N ATOM 854 CA GLU A 59 3.102 -9.877 0.211 1.00 0.00 C ATOM 855 C GLU A 59 3.478 -9.158 -1.086 1.00 0.00 C ATOM 856 O GLU A 59 4.231 -9.669 -1.894 1.00 0.00 O ATOM 857 CB GLU A 59 1.998 -10.891 -0.080 1.00 0.00 C ATOM 858 CG GLU A 59 1.772 -11.770 1.152 1.00 0.00 C ATOM 859 CD GLU A 59 0.612 -12.732 0.887 1.00 0.00 C ATOM 860 OE1 GLU A 59 0.077 -12.697 -0.210 1.00 0.00 O ATOM 861 OE2 GLU A 59 0.278 -13.488 1.785 1.00 0.00 O ATOM 0 H GLU A 59 1.607 -8.948 1.416 1.00 0.00 H new ATOM 0 HA GLU A 59 3.983 -10.382 0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.076 -10.374 -0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.274 -11.509 -0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.678 -12.331 1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.552 -11.148 2.020 1.00 0.00 H new ATOM 868 N TYR A 60 2.952 -7.980 -1.299 1.00 0.00 N ATOM 869 CA TYR A 60 3.262 -7.220 -2.551 1.00 0.00 C ATOM 870 C TYR A 60 4.234 -6.083 -2.233 1.00 0.00 C ATOM 871 O TYR A 60 4.942 -5.595 -3.093 1.00 0.00 O ATOM 872 CB TYR A 60 1.963 -6.635 -3.105 1.00 0.00 C ATOM 873 CG TYR A 60 1.009 -7.762 -3.437 1.00 0.00 C ATOM 874 CD1 TYR A 60 1.326 -8.661 -4.460 1.00 0.00 C ATOM 875 CD2 TYR A 60 -0.185 -7.912 -2.716 1.00 0.00 C ATOM 876 CE1 TYR A 60 0.453 -9.710 -4.766 1.00 0.00 C ATOM 877 CE2 TYR A 60 -1.059 -8.963 -3.024 1.00 0.00 C ATOM 878 CZ TYR A 60 -0.740 -9.862 -4.049 1.00 0.00 C ATOM 879 OH TYR A 60 -1.599 -10.898 -4.353 1.00 0.00 O ATOM 0 H TYR A 60 2.317 -7.507 -0.656 1.00 0.00 H new ATOM 0 HA TYR A 60 3.716 -7.886 -3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.512 -5.964 -2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.169 -6.042 -3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.246 -8.545 -5.014 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.430 -7.219 -1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.699 -10.404 -5.556 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.979 -9.080 -2.471 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.379 -10.860 -3.761 1.00 0.00 H new ATOM 889 N ILE A 61 4.268 -5.650 -1.000 1.00 0.00 N ATOM 890 CA ILE A 61 5.187 -4.537 -0.612 1.00 0.00 C ATOM 891 C ILE A 61 6.467 -5.109 -0.006 1.00 0.00 C ATOM 892 O ILE A 61 6.433 -5.946 0.876 1.00 0.00 O ATOM 893 CB ILE A 61 4.491 -3.632 0.411 1.00 0.00 C ATOM 894 CG1 ILE A 61 3.434 -2.779 -0.301 1.00 0.00 C ATOM 895 CG2 ILE A 61 5.515 -2.708 1.087 1.00 0.00 C ATOM 896 CD1 ILE A 61 2.396 -3.676 -0.981 1.00 0.00 C ATOM 0 H ILE A 61 3.696 -6.021 -0.241 1.00 0.00 H new ATOM 0 HA ILE A 61 5.441 -3.955 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 61 4.017 -4.255 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.943 -2.123 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.913 -2.139 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.008 -2.071 1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.267 -3.310 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.998 -2.087 0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.652 -3.056 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.890 -4.314 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.905 -4.297 -0.232 1.00 0.00 H new ATOM 908 N LYS A 62 7.599 -4.646 -0.473 1.00 0.00 N ATOM 909 CA LYS A 62 8.904 -5.137 0.063 1.00 0.00 C ATOM 910 C LYS A 62 9.837 -3.953 0.311 1.00 0.00 C ATOM 911 O LYS A 62 9.418 -2.805 0.338 1.00 0.00 O ATOM 912 CB LYS A 62 9.552 -6.099 -0.943 1.00 0.00 C ATOM 913 CG LYS A 62 9.933 -5.352 -2.230 1.00 0.00 C ATOM 914 CD LYS A 62 10.497 -6.351 -3.243 1.00 0.00 C ATOM 915 CE LYS A 62 10.874 -5.621 -4.535 1.00 0.00 C ATOM 916 NZ LYS A 62 12.019 -4.702 -4.274 1.00 0.00 N ATOM 0 H LYS A 62 7.675 -3.943 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 62 8.729 -5.663 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.440 -6.553 -0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.862 -6.910 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.060 -4.849 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.672 -4.581 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.373 -6.850 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.759 -7.125 -3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.142 -6.342 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.019 -5.057 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.447 -4.416 -5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.679 -3.858 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.730 -5.190 -3.693 1.00 0.00 H new ATOM 930 N ASP A 63 11.102 -4.244 0.495 1.00 0.00 N ATOM 931 CA ASP A 63 12.122 -3.182 0.750 1.00 0.00 C ATOM 932 C ASP A 63 11.754 -2.395 2.010 1.00 0.00 C ATOM 933 O ASP A 63 12.324 -2.594 3.064 1.00 0.00 O ATOM 934 CB ASP A 63 12.204 -2.219 -0.445 1.00 0.00 C ATOM 935 CG ASP A 63 12.893 -2.905 -1.625 1.00 0.00 C ATOM 936 OD1 ASP A 63 13.522 -3.926 -1.407 1.00 0.00 O ATOM 937 OD2 ASP A 63 12.781 -2.393 -2.727 1.00 0.00 O ATOM 0 H ASP A 63 11.476 -5.193 0.479 1.00 0.00 H new ATOM 0 HA ASP A 63 13.091 -3.661 0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.203 -1.899 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.756 -1.322 -0.163 1.00 0.00 H new ATOM 942 N ILE A 64 10.818 -1.495 1.896 1.00 0.00 N ATOM 943 CA ILE A 64 10.403 -0.669 3.068 1.00 0.00 C ATOM 944 C ILE A 64 11.612 0.082 3.628 1.00 0.00 C ATOM 945 O ILE A 64 12.286 -0.382 4.528 1.00 0.00 O ATOM 946 CB ILE A 64 9.788 -1.556 4.160 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.513 -2.208 3.619 1.00 0.00 C ATOM 948 CG2 ILE A 64 9.436 -0.690 5.373 1.00 0.00 C ATOM 949 CD1 ILE A 64 8.023 -3.274 4.600 1.00 0.00 C ATOM 0 H ILE A 64 10.316 -1.293 1.031 1.00 0.00 H new ATOM 0 HA ILE A 64 9.653 0.050 2.740 1.00 0.00 H new ATOM 0 HB ILE A 64 10.500 -2.327 4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.741 -1.453 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.708 -2.658 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.999 -1.315 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.339 -0.214 5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.719 0.076 5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.115 -3.736 4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.793 -4.035 4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.811 -2.811 5.564 1.00 0.00 H new