USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 448 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 0 SER N :NH3+ 129:sc= 0.265 (180deg=0.0284) USER MOD Single : A 0 SER OG : rot -176:sc= 1.38 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.0507 (180deg=-0.738) USER MOD Single : A 2 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.059) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 13 MET CE :methyl 158:sc= -0.0854 (180deg=-0.48) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 172:sc= 0.342 USER MOD Single : A 20 SER OG : rot -102:sc= 0.103 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -129:sc= -0.0108 (180deg=-0.825) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -2.35 X(o=-2.4,f=-2.1!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 40 SER OG : rot 40:sc= 0.192 USER MOD Single : A 43 ASN : amide:sc= 0.702 K(o=0.7,f=-2.7) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.25! C(o=-3.2!,f=-3.4!) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -1.944 -12.267 -2.064 1.00 0.00 N ATOM 2 CA SER A 0 -1.878 -11.046 -1.295 1.00 0.00 C ATOM 3 C SER A 0 -2.814 -10.002 -1.895 1.00 0.00 C ATOM 4 O SER A 0 -3.477 -10.276 -2.904 1.00 0.00 O ATOM 5 CB SER A 0 -0.443 -10.570 -1.288 1.00 0.00 C ATOM 6 OG SER A 0 0.413 -11.650 -0.970 1.00 0.00 O ATOM 0 H1 SER A 0 -0.982 -12.570 -2.317 1.00 0.00 H new ATOM 0 H2 SER A 0 -2.403 -13.009 -1.498 1.00 0.00 H new ATOM 0 H3 SER A 0 -2.494 -12.102 -2.931 1.00 0.00 H new ATOM 0 HA SER A 0 -2.201 -11.218 -0.268 1.00 0.00 H new ATOM 0 HB2 SER A 0 -0.181 -10.160 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 0 -0.319 -9.768 -0.561 1.00 0.00 H new ATOM 0 HG SER A 0 1.335 -11.326 -0.898 1.00 0.00 H new ATOM 14 N MET A 1 -2.888 -8.823 -1.287 1.00 0.00 N ATOM 15 CA MET A 1 -3.755 -7.765 -1.793 1.00 0.00 C ATOM 16 C MET A 1 -2.903 -6.615 -2.284 1.00 0.00 C ATOM 17 O MET A 1 -2.079 -6.098 -1.523 1.00 0.00 O ATOM 18 CB MET A 1 -4.693 -7.232 -0.696 1.00 0.00 C ATOM 19 CG MET A 1 -5.482 -8.285 0.058 1.00 0.00 C ATOM 20 SD MET A 1 -6.766 -7.573 1.123 1.00 0.00 S ATOM 21 CE MET A 1 -5.801 -6.503 2.192 1.00 0.00 C ATOM 0 H MET A 1 -2.362 -8.577 -0.449 1.00 0.00 H new ATOM 0 HA MET A 1 -4.356 -8.183 -2.600 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.099 -6.665 0.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.395 -6.534 -1.151 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.945 -8.966 -0.656 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.799 -8.878 0.667 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.331 -6.355 3.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.833 -6.963 2.389 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.652 -5.540 1.704 1.00 0.00 H new ATOM 31 N ASN A 2 -3.084 -6.215 -3.515 1.00 0.00 N ATOM 32 CA ASN A 2 -2.345 -5.087 -4.066 1.00 0.00 C ATOM 33 C ASN A 2 -3.097 -3.803 -3.844 1.00 0.00 C ATOM 34 O ASN A 2 -4.309 -3.739 -4.051 1.00 0.00 O ATOM 35 CB ASN A 2 -2.047 -5.242 -5.563 1.00 0.00 C ATOM 36 CG ASN A 2 -0.815 -6.069 -5.849 1.00 0.00 C ATOM 37 OD1 ASN A 2 -0.906 -7.222 -6.266 1.00 0.00 O ATOM 38 ND2 ASN A 2 0.338 -5.507 -5.615 1.00 0.00 N ATOM 0 H ASN A 2 -3.738 -6.650 -4.166 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.392 -5.061 -3.538 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.906 -5.703 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.922 -4.253 -6.005 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.201 -6.026 -5.778 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.377 -4.548 -5.269 1.00 0.00 H new ATOM 45 N ARG A 3 -2.400 -2.804 -3.388 1.00 0.00 N ATOM 46 CA ARG A 3 -2.956 -1.503 -3.166 1.00 0.00 C ATOM 47 C ARG A 3 -2.193 -0.508 -4.022 1.00 0.00 C ATOM 48 O ARG A 3 -1.020 -0.747 -4.364 1.00 0.00 O ATOM 49 CB ARG A 3 -2.811 -1.161 -1.703 1.00 0.00 C ATOM 50 CG ARG A 3 -3.864 -0.227 -1.152 1.00 0.00 C ATOM 51 CD ARG A 3 -3.979 -0.465 0.336 1.00 0.00 C ATOM 52 NE ARG A 3 -5.065 0.288 0.982 1.00 0.00 N ATOM 53 CZ ARG A 3 -5.423 0.162 2.274 1.00 0.00 C ATOM 54 NH1 ARG A 3 -4.808 -0.734 3.066 1.00 0.00 N ATOM 55 NH2 ARG A 3 -6.410 0.900 2.758 1.00 0.00 N ATOM 0 H ARG A 3 -1.409 -2.873 -3.156 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.012 -1.475 -3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.831 -2.086 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.831 -0.710 -1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.593 0.810 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.822 -0.405 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.135 -1.529 0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.034 -0.198 0.810 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.584 0.954 0.410 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.066 -1.323 2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.084 -0.824 4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.896 1.561 2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.684 0.807 3.736 1.00 0.00 H new ATOM 69 N LEU A 4 -2.832 0.575 -4.379 1.00 0.00 N ATOM 70 CA LEU A 4 -2.215 1.583 -5.212 1.00 0.00 C ATOM 71 C LEU A 4 -2.036 2.868 -4.437 1.00 0.00 C ATOM 72 O LEU A 4 -2.951 3.306 -3.724 1.00 0.00 O ATOM 73 CB LEU A 4 -3.074 1.866 -6.447 1.00 0.00 C ATOM 74 CG LEU A 4 -3.262 0.722 -7.448 1.00 0.00 C ATOM 75 CD1 LEU A 4 -4.114 1.182 -8.615 1.00 0.00 C ATOM 76 CD2 LEU A 4 -1.924 0.202 -7.944 1.00 0.00 C ATOM 0 H LEU A 4 -3.791 0.786 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.243 1.205 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.060 2.182 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.634 2.710 -6.978 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.772 -0.095 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.240 0.360 -9.320 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.090 1.500 -8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.624 2.017 -9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.089 -0.609 -8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.380 1.008 -8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.341 -0.167 -7.100 1.00 0.00 H new ATOM 88 N GLY A 5 -0.882 3.462 -4.553 1.00 0.00 N ATOM 89 CA GLY A 5 -0.646 4.712 -3.904 1.00 0.00 C ATOM 90 C GLY A 5 0.418 5.489 -4.597 1.00 0.00 C ATOM 91 O GLY A 5 1.252 4.920 -5.278 1.00 0.00 O ATOM 0 H GLY A 5 -0.095 3.099 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.568 5.293 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.355 4.537 -2.868 1.00 0.00 H new ATOM 95 N ILE A 6 0.388 6.763 -4.425 1.00 0.00 N ATOM 96 CA ILE A 6 1.332 7.660 -5.047 1.00 0.00 C ATOM 97 C ILE A 6 2.455 7.932 -4.086 1.00 0.00 C ATOM 98 O ILE A 6 2.206 8.226 -2.922 1.00 0.00 O ATOM 99 CB ILE A 6 0.649 9.003 -5.422 1.00 0.00 C ATOM 100 CG1 ILE A 6 -0.586 8.750 -6.298 1.00 0.00 C ATOM 101 CG2 ILE A 6 1.629 9.932 -6.132 1.00 0.00 C ATOM 102 CD1 ILE A 6 -1.500 9.945 -6.420 1.00 0.00 C ATOM 0 H ILE A 6 -0.302 7.233 -3.839 1.00 0.00 H new ATOM 0 HA ILE A 6 1.712 7.194 -5.956 1.00 0.00 H new ATOM 0 HB ILE A 6 0.327 9.490 -4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.259 8.451 -7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.149 7.914 -5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.127 10.866 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.474 10.140 -5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.987 9.455 -7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.350 9.690 -7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.858 10.232 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.954 10.777 -6.864 1.00 0.00 H new ATOM 114 N ILE A 7 3.678 7.802 -4.550 1.00 0.00 N ATOM 115 CA ILE A 7 4.824 8.087 -3.720 1.00 0.00 C ATOM 116 C ILE A 7 4.863 9.566 -3.418 1.00 0.00 C ATOM 117 O ILE A 7 5.197 10.383 -4.277 1.00 0.00 O ATOM 118 CB ILE A 7 6.152 7.655 -4.374 1.00 0.00 C ATOM 119 CG1 ILE A 7 6.126 6.163 -4.706 1.00 0.00 C ATOM 120 CG2 ILE A 7 7.335 7.972 -3.456 1.00 0.00 C ATOM 121 CD1 ILE A 7 6.081 5.265 -3.490 1.00 0.00 C ATOM 0 H ILE A 7 3.903 7.501 -5.498 1.00 0.00 H new ATOM 0 HA ILE A 7 4.717 7.510 -2.801 1.00 0.00 H new ATOM 0 HB ILE A 7 6.273 8.216 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.258 5.955 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.009 5.916 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.262 7.659 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.369 9.044 -3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.217 7.438 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.065 4.223 -3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.962 5.443 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.184 5.482 -2.911 1.00 0.00 H new ATOM 133 N TYR A 8 4.489 9.885 -2.226 1.00 0.00 N ATOM 134 CA TYR A 8 4.413 11.227 -1.772 1.00 0.00 C ATOM 135 C TYR A 8 5.779 11.676 -1.283 1.00 0.00 C ATOM 136 O TYR A 8 6.187 12.815 -1.512 1.00 0.00 O ATOM 137 CB TYR A 8 3.376 11.317 -0.649 1.00 0.00 C ATOM 138 CG TYR A 8 2.932 12.716 -0.322 1.00 0.00 C ATOM 139 CD1 TYR A 8 3.506 13.419 0.724 1.00 0.00 C ATOM 140 CD2 TYR A 8 1.931 13.331 -1.058 1.00 0.00 C ATOM 141 CE1 TYR A 8 3.103 14.699 1.025 1.00 0.00 C ATOM 142 CE2 TYR A 8 1.519 14.613 -0.761 1.00 0.00 C ATOM 143 CZ TYR A 8 2.110 15.293 0.283 1.00 0.00 C ATOM 144 OH TYR A 8 1.711 16.584 0.580 1.00 0.00 O ATOM 0 H TYR A 8 4.220 9.198 -1.522 1.00 0.00 H new ATOM 0 HA TYR A 8 4.107 11.883 -2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.503 10.728 -0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.792 10.862 0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.283 12.954 1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.467 12.799 -1.875 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.565 15.235 1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.739 15.081 -1.342 1.00 0.00 H new ATOM 0 HH TYR A 8 1.001 16.857 -0.038 1.00 0.00 H new ATOM 154 N GLU A 9 6.494 10.765 -0.647 1.00 0.00 N ATOM 155 CA GLU A 9 7.795 11.058 -0.077 1.00 0.00 C ATOM 156 C GLU A 9 8.508 9.738 0.218 1.00 0.00 C ATOM 157 O GLU A 9 7.871 8.675 0.219 1.00 0.00 O ATOM 158 CB GLU A 9 7.619 11.875 1.218 1.00 0.00 C ATOM 159 CG GLU A 9 8.872 12.590 1.688 1.00 0.00 C ATOM 160 CD GLU A 9 8.635 13.410 2.915 1.00 0.00 C ATOM 161 OE1 GLU A 9 8.889 12.932 4.015 1.00 0.00 O ATOM 162 OE2 GLU A 9 8.185 14.571 2.793 1.00 0.00 O ATOM 0 H GLU A 9 6.188 9.801 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 9 8.391 11.643 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.832 12.613 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.278 11.208 2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.652 11.856 1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.240 13.234 0.890 1.00 0.00 H new ATOM 169 N ILE A 10 9.795 9.800 0.444 1.00 0.00 N ATOM 170 CA ILE A 10 10.596 8.635 0.733 1.00 0.00 C ATOM 171 C ILE A 10 11.265 8.787 2.109 1.00 0.00 C ATOM 172 O ILE A 10 11.721 9.878 2.477 1.00 0.00 O ATOM 173 CB ILE A 10 11.697 8.439 -0.362 1.00 0.00 C ATOM 174 CG1 ILE A 10 11.069 8.164 -1.743 1.00 0.00 C ATOM 175 CG2 ILE A 10 12.677 7.332 0.009 1.00 0.00 C ATOM 176 CD1 ILE A 10 10.322 6.847 -1.846 1.00 0.00 C ATOM 0 H ILE A 10 10.325 10.672 0.433 1.00 0.00 H new ATOM 0 HA ILE A 10 9.944 7.762 0.739 1.00 0.00 H new ATOM 0 HB ILE A 10 12.257 9.372 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.383 8.976 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.857 8.179 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.424 7.229 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.171 7.583 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.138 6.392 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.914 6.738 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.006 6.024 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.509 6.832 -1.121 1.00 0.00 H new ATOM 188 N GLN A 11 11.295 7.718 2.860 1.00 0.00 N ATOM 189 CA GLN A 11 11.954 7.682 4.137 1.00 0.00 C ATOM 190 C GLN A 11 13.024 6.622 4.095 1.00 0.00 C ATOM 191 O GLN A 11 12.843 5.535 4.644 1.00 0.00 O ATOM 192 CB GLN A 11 10.976 7.369 5.274 1.00 0.00 C ATOM 193 CG GLN A 11 10.472 8.583 6.018 1.00 0.00 C ATOM 194 CD GLN A 11 9.172 9.108 5.475 1.00 0.00 C ATOM 195 OE1 GLN A 11 8.108 8.679 5.889 1.00 0.00 O ATOM 196 NE2 GLN A 11 9.245 10.036 4.558 1.00 0.00 N ATOM 0 H GLN A 11 10.856 6.836 2.597 1.00 0.00 H new ATOM 0 HA GLN A 11 12.384 8.665 4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.122 6.829 4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.465 6.701 5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.344 8.330 7.070 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.224 9.370 5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.155 10.367 4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.392 10.429 4.161 1.00 0.00 H new ATOM 205 N GLY A 12 14.111 6.912 3.419 1.00 0.00 N ATOM 206 CA GLY A 12 15.182 5.951 3.282 1.00 0.00 C ATOM 207 C GLY A 12 14.749 4.758 2.454 1.00 0.00 C ATOM 208 O GLY A 12 14.632 4.850 1.232 1.00 0.00 O ATOM 0 H GLY A 12 14.278 7.805 2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.043 6.428 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.500 5.615 4.269 1.00 0.00 H new ATOM 212 N MET A 13 14.466 3.656 3.120 1.00 0.00 N ATOM 213 CA MET A 13 13.997 2.458 2.450 1.00 0.00 C ATOM 214 C MET A 13 12.514 2.251 2.705 1.00 0.00 C ATOM 215 O MET A 13 11.975 1.158 2.527 1.00 0.00 O ATOM 216 CB MET A 13 14.800 1.220 2.853 1.00 0.00 C ATOM 217 CG MET A 13 16.189 1.156 2.239 1.00 0.00 C ATOM 218 SD MET A 13 16.912 -0.500 2.295 1.00 0.00 S ATOM 219 CE MET A 13 15.889 -1.355 1.091 1.00 0.00 C ATOM 0 H MET A 13 14.553 3.565 4.132 1.00 0.00 H new ATOM 0 HA MET A 13 14.150 2.601 1.380 1.00 0.00 H new ATOM 0 HB2 MET A 13 14.893 1.198 3.939 1.00 0.00 H new ATOM 0 HB3 MET A 13 14.244 0.329 2.562 1.00 0.00 H new ATOM 0 HG2 MET A 13 16.137 1.489 1.202 1.00 0.00 H new ATOM 0 HG3 MET A 13 16.845 1.850 2.764 1.00 0.00 H new ATOM 0 HE1 MET A 13 16.420 -2.232 0.720 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.957 -1.667 1.562 1.00 0.00 H new ATOM 0 HE3 MET A 13 15.669 -0.685 0.260 1.00 0.00 H new ATOM 229 N LYS A 14 11.862 3.304 3.122 1.00 0.00 N ATOM 230 CA LYS A 14 10.429 3.314 3.310 1.00 0.00 C ATOM 231 C LYS A 14 9.853 4.355 2.380 1.00 0.00 C ATOM 232 O LYS A 14 10.571 5.259 1.940 1.00 0.00 O ATOM 233 CB LYS A 14 10.061 3.664 4.751 1.00 0.00 C ATOM 234 CG LYS A 14 10.708 2.781 5.790 1.00 0.00 C ATOM 235 CD LYS A 14 10.302 3.190 7.188 1.00 0.00 C ATOM 236 CE LYS A 14 11.088 2.414 8.218 1.00 0.00 C ATOM 237 NZ LYS A 14 10.766 2.817 9.595 1.00 0.00 N ATOM 0 H LYS A 14 12.313 4.191 3.344 1.00 0.00 H new ATOM 0 HA LYS A 14 10.028 2.323 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.343 4.699 4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.978 3.603 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.425 1.743 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.792 2.836 5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.470 4.258 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.235 3.015 7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.886 1.350 8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.154 2.558 8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.332 2.255 10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.983 3.826 9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.755 2.655 9.777 1.00 0.00 H new ATOM 251 N ALA A 15 8.608 4.244 2.070 1.00 0.00 N ATOM 252 CA ALA A 15 7.972 5.185 1.195 1.00 0.00 C ATOM 253 C ALA A 15 6.620 5.576 1.732 1.00 0.00 C ATOM 254 O ALA A 15 5.935 4.765 2.350 1.00 0.00 O ATOM 255 CB ALA A 15 7.835 4.602 -0.202 1.00 0.00 C ATOM 0 H ALA A 15 7.997 3.502 2.412 1.00 0.00 H new ATOM 0 HA ALA A 15 8.595 6.078 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.350 5.329 -0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.823 4.364 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.233 3.694 -0.160 1.00 0.00 H new ATOM 261 N VAL A 16 6.268 6.813 1.524 1.00 0.00 N ATOM 262 CA VAL A 16 4.969 7.336 1.900 1.00 0.00 C ATOM 263 C VAL A 16 4.091 7.279 0.681 1.00 0.00 C ATOM 264 O VAL A 16 4.373 7.950 -0.318 1.00 0.00 O ATOM 265 CB VAL A 16 5.037 8.822 2.362 1.00 0.00 C ATOM 266 CG1 VAL A 16 3.661 9.338 2.773 1.00 0.00 C ATOM 267 CG2 VAL A 16 6.007 9.000 3.496 1.00 0.00 C ATOM 0 H VAL A 16 6.877 7.502 1.083 1.00 0.00 H new ATOM 0 HA VAL A 16 4.588 6.740 2.730 1.00 0.00 H new ATOM 0 HB VAL A 16 5.388 9.404 1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.742 10.378 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.979 9.269 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.278 8.736 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.030 10.048 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.693 8.389 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.002 8.692 3.175 1.00 0.00 H new ATOM 277 N VAL A 17 3.078 6.486 0.726 1.00 0.00 N ATOM 278 CA VAL A 17 2.174 6.393 -0.378 1.00 0.00 C ATOM 279 C VAL A 17 0.853 7.028 -0.060 1.00 0.00 C ATOM 280 O VAL A 17 0.236 6.725 0.960 1.00 0.00 O ATOM 281 CB VAL A 17 1.944 4.946 -0.876 1.00 0.00 C ATOM 282 CG1 VAL A 17 3.090 4.489 -1.738 1.00 0.00 C ATOM 283 CG2 VAL A 17 1.730 3.983 0.278 1.00 0.00 C ATOM 0 H VAL A 17 2.850 5.887 1.519 1.00 0.00 H new ATOM 0 HA VAL A 17 2.659 6.939 -1.187 1.00 0.00 H new ATOM 0 HB VAL A 17 1.035 4.949 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.907 3.469 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.181 5.147 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.014 4.519 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.572 2.977 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.608 3.988 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.856 4.291 0.852 1.00 0.00 H new ATOM 293 N LEU A 18 0.453 7.931 -0.898 1.00 0.00 N ATOM 294 CA LEU A 18 -0.836 8.514 -0.826 1.00 0.00 C ATOM 295 C LEU A 18 -1.721 7.635 -1.667 1.00 0.00 C ATOM 296 O LEU A 18 -1.656 7.667 -2.899 1.00 0.00 O ATOM 297 CB LEU A 18 -0.809 9.951 -1.362 1.00 0.00 C ATOM 298 CG LEU A 18 -2.163 10.661 -1.493 1.00 0.00 C ATOM 299 CD1 LEU A 18 -2.810 10.859 -0.135 1.00 0.00 C ATOM 300 CD2 LEU A 18 -1.995 11.993 -2.192 1.00 0.00 C ATOM 0 H LEU A 18 1.028 8.286 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.199 8.577 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.174 10.547 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.334 9.940 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.818 10.028 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.768 11.364 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.969 9.889 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.158 11.466 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.964 12.484 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.318 12.624 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.581 11.832 -3.187 1.00 0.00 H new ATOM 312 N THR A 19 -2.486 6.812 -1.015 1.00 0.00 N ATOM 313 CA THR A 19 -3.293 5.827 -1.676 1.00 0.00 C ATOM 314 C THR A 19 -4.386 6.464 -2.501 1.00 0.00 C ATOM 315 O THR A 19 -4.684 7.662 -2.355 1.00 0.00 O ATOM 316 CB THR A 19 -3.922 4.866 -0.653 1.00 0.00 C ATOM 317 OG1 THR A 19 -4.536 5.620 0.409 1.00 0.00 O ATOM 318 CG2 THR A 19 -2.866 3.939 -0.076 1.00 0.00 C ATOM 0 H THR A 19 -2.569 6.804 0.002 1.00 0.00 H new ATOM 0 HA THR A 19 -2.636 5.270 -2.344 1.00 0.00 H new ATOM 0 HB THR A 19 -4.679 4.265 -1.158 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.045 5.015 0.988 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.328 3.266 0.646 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.416 3.356 -0.879 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.095 4.529 0.420 1.00 0.00 H new ATOM 326 N SER A 20 -5.014 5.665 -3.331 1.00 0.00 N ATOM 327 CA SER A 20 -6.140 6.082 -4.123 1.00 0.00 C ATOM 328 C SER A 20 -7.363 6.342 -3.220 1.00 0.00 C ATOM 329 O SER A 20 -8.415 6.786 -3.676 1.00 0.00 O ATOM 330 CB SER A 20 -6.403 4.995 -5.142 1.00 0.00 C ATOM 331 OG SER A 20 -6.254 3.723 -4.526 1.00 0.00 O ATOM 0 H SER A 20 -4.750 4.690 -3.475 1.00 0.00 H new ATOM 0 HA SER A 20 -5.935 7.020 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.409 5.099 -5.549 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.710 5.090 -5.978 1.00 0.00 H new ATOM 0 HG SER A 20 -5.387 3.339 -4.773 1.00 0.00 H new ATOM 337 N GLU A 21 -7.199 6.045 -1.945 1.00 0.00 N ATOM 338 CA GLU A 21 -8.191 6.276 -0.943 1.00 0.00 C ATOM 339 C GLU A 21 -7.953 7.619 -0.258 1.00 0.00 C ATOM 340 O GLU A 21 -8.803 8.092 0.500 1.00 0.00 O ATOM 341 CB GLU A 21 -8.122 5.176 0.086 1.00 0.00 C ATOM 342 CG GLU A 21 -8.306 3.800 -0.487 1.00 0.00 C ATOM 343 CD GLU A 21 -7.697 2.751 0.378 1.00 0.00 C ATOM 344 OE1 GLU A 21 -6.757 2.072 -0.072 1.00 0.00 O ATOM 345 OE2 GLU A 21 -8.144 2.577 1.526 1.00 0.00 O ATOM 0 H GLU A 21 -6.344 5.625 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.174 6.288 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.157 5.223 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.887 5.350 0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.370 3.597 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.858 3.757 -1.480 1.00 0.00 H new ATOM 352 N GLY A 22 -6.799 8.218 -0.510 1.00 0.00 N ATOM 353 CA GLY A 22 -6.487 9.498 0.083 1.00 0.00 C ATOM 354 C GLY A 22 -5.829 9.384 1.439 1.00 0.00 C ATOM 355 O GLY A 22 -5.946 10.287 2.275 1.00 0.00 O ATOM 0 H GLY A 22 -6.072 7.838 -1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.829 10.050 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.404 10.079 0.180 1.00 0.00 H new ATOM 359 N GLU A 23 -5.149 8.296 1.674 1.00 0.00 N ATOM 360 CA GLU A 23 -4.469 8.095 2.930 1.00 0.00 C ATOM 361 C GLU A 23 -2.987 8.025 2.700 1.00 0.00 C ATOM 362 O GLU A 23 -2.550 7.657 1.619 1.00 0.00 O ATOM 363 CB GLU A 23 -4.916 6.813 3.587 1.00 0.00 C ATOM 364 CG GLU A 23 -6.366 6.760 3.961 1.00 0.00 C ATOM 365 CD GLU A 23 -6.617 5.654 4.922 1.00 0.00 C ATOM 366 OE1 GLU A 23 -6.452 5.866 6.125 1.00 0.00 O ATOM 367 OE2 GLU A 23 -6.949 4.547 4.498 1.00 0.00 O ATOM 0 H GLU A 23 -5.049 7.529 1.010 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.712 8.934 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.700 5.984 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.319 6.657 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.668 7.709 4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.973 6.617 3.067 1.00 0.00 H new ATOM 374 N PHE A 24 -2.225 8.355 3.704 1.00 0.00 N ATOM 375 CA PHE A 24 -0.787 8.283 3.614 1.00 0.00 C ATOM 376 C PHE A 24 -0.325 7.085 4.399 1.00 0.00 C ATOM 377 O PHE A 24 -0.468 7.035 5.623 1.00 0.00 O ATOM 378 CB PHE A 24 -0.116 9.552 4.157 1.00 0.00 C ATOM 379 CG PHE A 24 -0.519 10.816 3.455 1.00 0.00 C ATOM 380 CD1 PHE A 24 0.305 11.380 2.498 1.00 0.00 C ATOM 381 CD2 PHE A 24 -1.720 11.440 3.752 1.00 0.00 C ATOM 382 CE1 PHE A 24 -0.063 12.541 1.853 1.00 0.00 C ATOM 383 CE2 PHE A 24 -2.091 12.598 3.110 1.00 0.00 C ATOM 384 CZ PHE A 24 -1.263 13.150 2.159 1.00 0.00 C ATOM 0 H PHE A 24 -2.576 8.680 4.605 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.504 8.193 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.352 9.648 5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.965 9.437 4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.245 10.907 2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.373 11.011 4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.588 12.974 1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.030 13.073 3.351 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.552 14.059 1.653 1.00 0.00 H new ATOM 394 N LEU A 25 0.194 6.127 3.707 1.00 0.00 N ATOM 395 CA LEU A 25 0.652 4.903 4.320 1.00 0.00 C ATOM 396 C LEU A 25 2.144 4.776 4.153 1.00 0.00 C ATOM 397 O LEU A 25 2.696 5.200 3.136 1.00 0.00 O ATOM 398 CB LEU A 25 -0.038 3.663 3.705 1.00 0.00 C ATOM 399 CG LEU A 25 -1.477 3.341 4.160 1.00 0.00 C ATOM 400 CD1 LEU A 25 -2.479 4.319 3.588 1.00 0.00 C ATOM 401 CD2 LEU A 25 -1.851 1.924 3.765 1.00 0.00 C ATOM 0 H LEU A 25 0.318 6.161 2.695 1.00 0.00 H new ATOM 0 HA LEU A 25 0.395 4.946 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.049 3.788 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.583 2.793 3.919 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.504 3.432 5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.480 4.058 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.233 5.328 3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.447 4.277 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.869 1.712 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.789 1.820 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.164 1.221 4.237 1.00 0.00 H new ATOM 413 N ILE A 26 2.795 4.229 5.142 1.00 0.00 N ATOM 414 CA ILE A 26 4.212 3.976 5.064 1.00 0.00 C ATOM 415 C ILE A 26 4.400 2.550 4.580 1.00 0.00 C ATOM 416 O ILE A 26 3.865 1.612 5.178 1.00 0.00 O ATOM 417 CB ILE A 26 4.916 4.158 6.445 1.00 0.00 C ATOM 418 CG1 ILE A 26 4.623 5.551 7.042 1.00 0.00 C ATOM 419 CG2 ILE A 26 6.425 3.932 6.325 1.00 0.00 C ATOM 420 CD1 ILE A 26 5.072 6.717 6.184 1.00 0.00 C ATOM 0 H ILE A 26 2.363 3.946 6.022 1.00 0.00 H new ATOM 0 HA ILE A 26 4.664 4.693 4.378 1.00 0.00 H new ATOM 0 HB ILE A 26 4.510 3.407 7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.551 5.638 7.216 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.111 5.624 8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.892 4.065 7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.614 2.920 5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.846 4.650 5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.824 7.653 6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.150 6.662 6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.565 6.676 5.220 1.00 0.00 H new ATOM 432 N ILE A 27 5.090 2.387 3.495 1.00 0.00 N ATOM 433 CA ILE A 27 5.326 1.070 2.932 1.00 0.00 C ATOM 434 C ILE A 27 6.806 0.845 2.722 1.00 0.00 C ATOM 435 O ILE A 27 7.614 1.770 2.893 1.00 0.00 O ATOM 436 CB ILE A 27 4.615 0.873 1.564 1.00 0.00 C ATOM 437 CG1 ILE A 27 5.114 1.901 0.537 1.00 0.00 C ATOM 438 CG2 ILE A 27 3.104 0.953 1.724 1.00 0.00 C ATOM 439 CD1 ILE A 27 4.908 1.488 -0.901 1.00 0.00 C ATOM 0 H ILE A 27 5.510 3.152 2.967 1.00 0.00 H new ATOM 0 HA ILE A 27 4.919 0.355 3.647 1.00 0.00 H new ATOM 0 HB ILE A 27 4.862 -0.122 1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.602 2.848 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.176 2.079 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.627 0.812 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.769 0.174 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.832 1.930 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.287 2.268 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.444 0.558 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.845 1.339 -1.088 1.00 0.00 H new ATOM 451 N ARG A 28 7.158 -0.376 2.381 1.00 0.00 N ATOM 452 CA ARG A 28 8.513 -0.724 2.025 1.00 0.00 C ATOM 453 C ARG A 28 8.837 -0.048 0.719 1.00 0.00 C ATOM 454 O ARG A 28 8.036 -0.092 -0.224 1.00 0.00 O ATOM 455 CB ARG A 28 8.660 -2.233 1.804 1.00 0.00 C ATOM 456 CG ARG A 28 8.222 -3.128 2.941 1.00 0.00 C ATOM 457 CD ARG A 28 8.296 -4.571 2.493 1.00 0.00 C ATOM 458 NE ARG A 28 7.776 -5.524 3.481 1.00 0.00 N ATOM 459 CZ ARG A 28 7.099 -6.643 3.154 1.00 0.00 C ATOM 460 NH1 ARG A 28 6.582 -6.782 1.934 1.00 0.00 N ATOM 461 NH2 ARG A 28 6.875 -7.581 4.064 1.00 0.00 N ATOM 0 H ARG A 28 6.506 -1.159 2.343 1.00 0.00 H new ATOM 0 HA ARG A 28 9.176 -0.413 2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.089 -2.505 0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.707 -2.445 1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.861 -2.971 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.205 -2.880 3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.736 -4.683 1.564 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.334 -4.821 2.272 1.00 0.00 H new ATOM 0 HE ARG A 28 7.936 -5.329 4.469 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.698 -6.040 1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.070 -7.630 1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.216 -7.458 5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.362 -8.425 3.810 1.00 0.00 H new ATOM 475 N ARG A 29 9.958 0.577 0.641 1.00 0.00 N ATOM 476 CA ARG A 29 10.335 1.177 -0.593 1.00 0.00 C ATOM 477 C ARG A 29 11.031 0.148 -1.445 1.00 0.00 C ATOM 478 O ARG A 29 12.025 -0.465 -1.030 1.00 0.00 O ATOM 479 CB ARG A 29 11.226 2.399 -0.406 1.00 0.00 C ATOM 480 CG ARG A 29 11.487 3.136 -1.700 1.00 0.00 C ATOM 481 CD ARG A 29 12.824 3.832 -1.712 1.00 0.00 C ATOM 482 NE ARG A 29 12.953 4.690 -2.900 1.00 0.00 N ATOM 483 CZ ARG A 29 13.804 5.707 -3.040 1.00 0.00 C ATOM 484 NH1 ARG A 29 14.780 5.904 -2.152 1.00 0.00 N ATOM 485 NH2 ARG A 29 13.702 6.503 -4.094 1.00 0.00 N ATOM 0 H ARG A 29 10.624 0.687 1.405 1.00 0.00 H new ATOM 0 HA ARG A 29 9.428 1.528 -1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.758 3.079 0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.176 2.087 0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.441 2.432 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.698 3.871 -1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.935 4.433 -0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.625 3.092 -1.703 1.00 0.00 H new ATOM 0 HE ARG A 29 12.336 4.489 -3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.881 5.274 -1.357 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.426 6.685 -2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.976 6.336 -4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.349 7.283 -4.208 1.00 0.00 H new ATOM 499 N ARG A 30 10.498 -0.074 -2.602 1.00 0.00 N ATOM 500 CA ARG A 30 11.091 -0.978 -3.524 1.00 0.00 C ATOM 501 C ARG A 30 12.078 -0.204 -4.375 1.00 0.00 C ATOM 502 O ARG A 30 12.117 1.039 -4.313 1.00 0.00 O ATOM 503 CB ARG A 30 10.037 -1.717 -4.345 1.00 0.00 C ATOM 504 CG ARG A 30 9.215 -2.699 -3.524 1.00 0.00 C ATOM 505 CD ARG A 30 8.140 -3.383 -4.349 1.00 0.00 C ATOM 506 NE ARG A 30 7.714 -4.630 -3.716 1.00 0.00 N ATOM 507 CZ ARG A 30 6.522 -5.230 -3.841 1.00 0.00 C ATOM 508 NH1 ARG A 30 5.527 -4.663 -4.514 1.00 0.00 N ATOM 509 NH2 ARG A 30 6.329 -6.393 -3.266 1.00 0.00 N ATOM 0 H ARG A 30 9.640 0.367 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 30 11.631 -1.761 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.368 -0.989 -4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.529 -2.254 -5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.876 -3.453 -3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.750 -2.172 -2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.284 -2.717 -4.463 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.519 -3.589 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 30 8.396 -5.093 -3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.661 -3.751 -4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.629 -5.140 -4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.081 -6.829 -2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.427 -6.861 -3.353 1.00 0.00 H new ATOM 523 N LYS A 31 12.826 -0.896 -5.183 1.00 0.00 N ATOM 524 CA LYS A 31 13.970 -0.298 -5.866 1.00 0.00 C ATOM 525 C LYS A 31 13.599 0.650 -7.004 1.00 0.00 C ATOM 526 O LYS A 31 14.464 1.359 -7.535 1.00 0.00 O ATOM 527 CB LYS A 31 14.906 -1.386 -6.359 1.00 0.00 C ATOM 528 CG LYS A 31 15.378 -2.312 -5.253 1.00 0.00 C ATOM 529 CD LYS A 31 16.237 -3.418 -5.803 1.00 0.00 C ATOM 530 CE LYS A 31 16.405 -4.543 -4.799 1.00 0.00 C ATOM 531 NZ LYS A 31 17.319 -5.590 -5.290 1.00 0.00 N ATOM 0 H LYS A 31 12.675 -1.882 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 31 14.473 0.323 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.399 -1.973 -7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.772 -0.924 -6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.942 -1.743 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.517 -2.738 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.789 -3.808 -6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.215 -3.020 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.787 -4.138 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.432 -4.984 -4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 17.406 -6.339 -4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 16.942 -5.995 -6.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.255 -5.176 -5.472 1.00 0.00 H new ATOM 545 N ASP A 32 12.349 0.689 -7.372 1.00 0.00 N ATOM 546 CA ASP A 32 11.931 1.555 -8.462 1.00 0.00 C ATOM 547 C ASP A 32 10.966 2.646 -7.990 1.00 0.00 C ATOM 548 O ASP A 32 10.393 3.393 -8.789 1.00 0.00 O ATOM 549 CB ASP A 32 11.310 0.728 -9.578 1.00 0.00 C ATOM 550 CG ASP A 32 11.263 1.479 -10.871 1.00 0.00 C ATOM 551 OD1 ASP A 32 10.160 1.688 -11.418 1.00 0.00 O ATOM 552 OD2 ASP A 32 12.335 1.879 -11.362 1.00 0.00 O ATOM 0 H ASP A 32 11.602 0.142 -6.945 1.00 0.00 H new ATOM 0 HA ASP A 32 12.818 2.059 -8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.883 -0.189 -9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.300 0.434 -9.293 1.00 0.00 H new ATOM 557 N MET A 33 10.799 2.749 -6.688 1.00 0.00 N ATOM 558 CA MET A 33 9.894 3.746 -6.112 1.00 0.00 C ATOM 559 C MET A 33 10.451 5.157 -6.266 1.00 0.00 C ATOM 560 O MET A 33 11.440 5.530 -5.603 1.00 0.00 O ATOM 561 CB MET A 33 9.622 3.470 -4.635 1.00 0.00 C ATOM 562 CG MET A 33 8.323 2.749 -4.334 1.00 0.00 C ATOM 563 SD MET A 33 8.329 1.037 -4.850 1.00 0.00 S ATOM 564 CE MET A 33 6.756 0.478 -4.196 1.00 0.00 C ATOM 0 H MET A 33 11.273 2.161 -6.003 1.00 0.00 H new ATOM 0 HA MET A 33 8.956 3.672 -6.663 1.00 0.00 H new ATOM 0 HB2 MET A 33 10.446 2.879 -4.236 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.623 4.420 -4.100 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.128 2.798 -3.263 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.504 3.268 -4.831 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.906 -0.432 -3.615 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.333 1.252 -3.556 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.072 0.274 -5.019 1.00 0.00 H new ATOM 574 N LYS A 34 9.829 5.914 -7.135 1.00 0.00 N ATOM 575 CA LYS A 34 10.195 7.268 -7.403 1.00 0.00 C ATOM 576 C LYS A 34 9.067 8.175 -6.939 1.00 0.00 C ATOM 577 O LYS A 34 7.897 7.813 -7.062 1.00 0.00 O ATOM 578 CB LYS A 34 10.402 7.424 -8.895 1.00 0.00 C ATOM 579 CG LYS A 34 11.469 6.506 -9.464 1.00 0.00 C ATOM 580 CD LYS A 34 11.248 6.259 -10.941 1.00 0.00 C ATOM 581 CE LYS A 34 12.031 5.054 -11.431 1.00 0.00 C ATOM 582 NZ LYS A 34 13.490 5.241 -11.335 1.00 0.00 N ATOM 0 H LYS A 34 9.034 5.590 -7.686 1.00 0.00 H new ATOM 0 HA LYS A 34 11.113 7.533 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.459 7.230 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.673 8.458 -9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.453 6.949 -9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.459 5.557 -8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.186 6.104 -11.129 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.547 7.142 -11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.743 4.179 -10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.763 4.850 -12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.973 4.388 -11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.774 6.059 -11.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.754 5.408 -10.343 1.00 0.00 H new ATOM 596 N VAL A 35 9.408 9.328 -6.425 1.00 0.00 N ATOM 597 CA VAL A 35 8.429 10.266 -5.886 1.00 0.00 C ATOM 598 C VAL A 35 7.543 10.846 -6.993 1.00 0.00 C ATOM 599 O VAL A 35 8.038 11.434 -7.965 1.00 0.00 O ATOM 600 CB VAL A 35 9.120 11.427 -5.107 1.00 0.00 C ATOM 601 CG1 VAL A 35 8.095 12.323 -4.430 1.00 0.00 C ATOM 602 CG2 VAL A 35 10.089 10.879 -4.075 1.00 0.00 C ATOM 0 H VAL A 35 10.373 9.654 -6.363 1.00 0.00 H new ATOM 0 HA VAL A 35 7.802 9.704 -5.193 1.00 0.00 H new ATOM 0 HB VAL A 35 9.674 12.024 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.608 13.123 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.435 12.755 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.506 11.735 -3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.560 11.706 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.549 10.252 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.855 10.285 -4.574 1.00 0.00 H new ATOM 612 N GLY A 36 6.246 10.686 -6.846 1.00 0.00 N ATOM 613 CA GLY A 36 5.321 11.228 -7.805 1.00 0.00 C ATOM 614 C GLY A 36 4.516 10.191 -8.542 1.00 0.00 C ATOM 615 O GLY A 36 3.428 10.491 -9.032 1.00 0.00 O ATOM 0 H GLY A 36 5.813 10.185 -6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.638 11.904 -7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.875 11.824 -8.530 1.00 0.00 H new ATOM 619 N GLN A 37 5.019 8.978 -8.623 1.00 0.00 N ATOM 620 CA GLN A 37 4.309 7.944 -9.363 1.00 0.00 C ATOM 621 C GLN A 37 3.407 7.130 -8.464 1.00 0.00 C ATOM 622 O GLN A 37 3.617 7.054 -7.240 1.00 0.00 O ATOM 623 CB GLN A 37 5.262 7.012 -10.129 1.00 0.00 C ATOM 624 CG GLN A 37 6.170 6.184 -9.243 1.00 0.00 C ATOM 625 CD GLN A 37 6.902 5.093 -9.991 1.00 0.00 C ATOM 626 OE1 GLN A 37 6.465 3.944 -10.054 1.00 0.00 O ATOM 627 NE2 GLN A 37 7.974 5.445 -10.598 1.00 0.00 N ATOM 0 H GLN A 37 5.898 8.682 -8.197 1.00 0.00 H new ATOM 0 HA GLN A 37 3.693 8.469 -10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.672 6.341 -10.753 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.877 7.612 -10.800 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.898 6.840 -8.767 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.577 5.734 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.309 6.406 -10.525 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.492 4.765 -11.154 1.00 0.00 H new ATOM 636 N GLN A 38 2.423 6.533 -9.069 1.00 0.00 N ATOM 637 CA GLN A 38 1.508 5.660 -8.394 1.00 0.00 C ATOM 638 C GLN A 38 2.051 4.255 -8.496 1.00 0.00 C ATOM 639 O GLN A 38 2.216 3.721 -9.594 1.00 0.00 O ATOM 640 CB GLN A 38 0.116 5.762 -9.017 1.00 0.00 C ATOM 641 CG GLN A 38 -0.976 5.087 -8.206 1.00 0.00 C ATOM 642 CD GLN A 38 -2.365 5.416 -8.710 1.00 0.00 C ATOM 643 OE1 GLN A 38 -2.580 5.632 -9.904 1.00 0.00 O ATOM 644 NE2 GLN A 38 -3.312 5.473 -7.815 1.00 0.00 N ATOM 0 H GLN A 38 2.230 6.641 -10.065 1.00 0.00 H new ATOM 0 HA GLN A 38 1.411 5.942 -7.346 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.138 6.814 -9.143 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.142 5.319 -10.012 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.830 4.007 -8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.890 5.393 -7.163 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.099 5.288 -6.835 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.266 5.702 -8.095 1.00 0.00 H new ATOM 653 N VAL A 39 2.329 3.669 -7.385 1.00 0.00 N ATOM 654 CA VAL A 39 2.962 2.385 -7.351 1.00 0.00 C ATOM 655 C VAL A 39 2.017 1.324 -6.859 1.00 0.00 C ATOM 656 O VAL A 39 1.086 1.601 -6.080 1.00 0.00 O ATOM 657 CB VAL A 39 4.227 2.384 -6.450 1.00 0.00 C ATOM 658 CG1 VAL A 39 5.294 3.306 -7.004 1.00 0.00 C ATOM 659 CG2 VAL A 39 3.879 2.780 -5.020 1.00 0.00 C ATOM 0 H VAL A 39 2.125 4.063 -6.467 1.00 0.00 H new ATOM 0 HA VAL A 39 3.259 2.164 -8.376 1.00 0.00 H new ATOM 0 HB VAL A 39 4.623 1.368 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.167 3.285 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.578 2.975 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.905 4.323 -7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.782 2.771 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.447 3.781 -5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.159 2.071 -4.611 1.00 0.00 H new ATOM 669 N SER A 40 2.222 0.140 -7.346 1.00 0.00 N ATOM 670 CA SER A 40 1.487 -0.989 -6.913 1.00 0.00 C ATOM 671 C SER A 40 2.298 -1.715 -5.854 1.00 0.00 C ATOM 672 O SER A 40 3.407 -2.201 -6.126 1.00 0.00 O ATOM 673 CB SER A 40 1.226 -1.905 -8.105 1.00 0.00 C ATOM 674 OG SER A 40 2.407 -2.042 -8.893 1.00 0.00 O ATOM 0 H SER A 40 2.916 -0.064 -8.065 1.00 0.00 H new ATOM 0 HA SER A 40 0.530 -0.685 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.899 -2.884 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.419 -1.498 -8.715 1.00 0.00 H new ATOM 0 HG SER A 40 3.187 -2.112 -8.304 1.00 0.00 H new ATOM 680 N PHE A 41 1.791 -1.765 -4.676 1.00 0.00 N ATOM 681 CA PHE A 41 2.437 -2.474 -3.601 1.00 0.00 C ATOM 682 C PHE A 41 1.468 -3.443 -3.053 1.00 0.00 C ATOM 683 O PHE A 41 0.287 -3.412 -3.425 1.00 0.00 O ATOM 684 CB PHE A 41 2.914 -1.524 -2.486 1.00 0.00 C ATOM 685 CG PHE A 41 1.855 -0.584 -1.943 1.00 0.00 C ATOM 686 CD1 PHE A 41 1.179 -0.879 -0.766 1.00 0.00 C ATOM 687 CD2 PHE A 41 1.542 0.591 -2.608 1.00 0.00 C ATOM 688 CE1 PHE A 41 0.219 -0.025 -0.272 1.00 0.00 C ATOM 689 CE2 PHE A 41 0.580 1.446 -2.116 1.00 0.00 C ATOM 690 CZ PHE A 41 -0.081 1.137 -0.947 1.00 0.00 C ATOM 0 H PHE A 41 0.912 -1.317 -4.416 1.00 0.00 H new ATOM 0 HA PHE A 41 3.322 -2.977 -3.989 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.303 -2.123 -1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.744 -0.929 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.409 -1.789 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.059 0.840 -3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.299 -0.266 0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.344 2.357 -2.646 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.835 1.807 -0.560 1.00 0.00 H new ATOM 700 N GLU A 42 1.912 -4.291 -2.214 1.00 0.00 N ATOM 701 CA GLU A 42 1.022 -5.198 -1.600 1.00 0.00 C ATOM 702 C GLU A 42 0.752 -4.735 -0.206 1.00 0.00 C ATOM 703 O GLU A 42 1.480 -3.911 0.335 1.00 0.00 O ATOM 704 CB GLU A 42 1.544 -6.631 -1.600 1.00 0.00 C ATOM 705 CG GLU A 42 1.679 -7.250 -2.981 1.00 0.00 C ATOM 706 CD GLU A 42 2.995 -6.946 -3.660 1.00 0.00 C ATOM 707 OE1 GLU A 42 3.985 -7.614 -3.342 1.00 0.00 O ATOM 708 OE2 GLU A 42 3.055 -6.076 -4.575 1.00 0.00 O ATOM 0 H GLU A 42 2.889 -4.380 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 42 0.099 -5.213 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.517 -6.650 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.874 -7.249 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.565 -8.331 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.865 -6.892 -3.611 1.00 0.00 H new ATOM 715 N ASN A 43 -0.278 -5.256 0.388 1.00 0.00 N ATOM 716 CA ASN A 43 -0.639 -4.871 1.743 1.00 0.00 C ATOM 717 C ASN A 43 0.354 -5.455 2.736 1.00 0.00 C ATOM 718 O ASN A 43 0.439 -5.024 3.877 1.00 0.00 O ATOM 719 CB ASN A 43 -2.099 -5.238 2.079 1.00 0.00 C ATOM 720 CG ASN A 43 -3.112 -4.222 1.546 1.00 0.00 C ATOM 721 OD1 ASN A 43 -3.626 -3.373 2.283 1.00 0.00 O ATOM 722 ND2 ASN A 43 -3.381 -4.274 0.266 1.00 0.00 N ATOM 0 H ASN A 43 -0.893 -5.952 -0.035 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.583 -3.785 1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.325 -6.220 1.663 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.208 -5.317 3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.029 -3.603 -0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.942 -4.985 -0.319 1.00 0.00 H new ATOM 729 N GLU A 44 1.141 -6.420 2.257 1.00 0.00 N ATOM 730 CA GLU A 44 2.222 -7.007 3.031 1.00 0.00 C ATOM 731 C GLU A 44 3.336 -5.971 3.201 1.00 0.00 C ATOM 732 O GLU A 44 4.044 -5.963 4.209 1.00 0.00 O ATOM 733 CB GLU A 44 2.810 -8.234 2.306 1.00 0.00 C ATOM 734 CG GLU A 44 1.795 -9.275 1.865 1.00 0.00 C ATOM 735 CD GLU A 44 2.442 -10.465 1.184 1.00 0.00 C ATOM 736 OE1 GLU A 44 2.797 -11.437 1.864 1.00 0.00 O ATOM 737 OE2 GLU A 44 2.591 -10.460 -0.058 1.00 0.00 O ATOM 0 H GLU A 44 1.042 -6.813 1.321 1.00 0.00 H new ATOM 0 HA GLU A 44 1.826 -7.316 3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.357 -7.889 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.534 -8.713 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.232 -9.619 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.080 -8.815 1.183 1.00 0.00 H new ATOM 744 N ASP A 45 3.456 -5.075 2.207 1.00 0.00 N ATOM 745 CA ASP A 45 4.523 -4.059 2.166 1.00 0.00 C ATOM 746 C ASP A 45 4.232 -2.922 3.098 1.00 0.00 C ATOM 747 O ASP A 45 5.103 -2.090 3.371 1.00 0.00 O ATOM 748 CB ASP A 45 4.709 -3.481 0.754 1.00 0.00 C ATOM 749 CG ASP A 45 5.193 -4.486 -0.240 1.00 0.00 C ATOM 750 OD1 ASP A 45 4.456 -4.788 -1.187 1.00 0.00 O ATOM 751 OD2 ASP A 45 6.312 -5.030 -0.065 1.00 0.00 O ATOM 0 H ASP A 45 2.819 -5.034 1.412 1.00 0.00 H new ATOM 0 HA ASP A 45 5.436 -4.569 2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.760 -3.069 0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.418 -2.654 0.798 1.00 0.00 H new ATOM 756 N ILE A 46 3.019 -2.860 3.561 1.00 0.00 N ATOM 757 CA ILE A 46 2.601 -1.813 4.445 1.00 0.00 C ATOM 758 C ILE A 46 3.295 -1.946 5.802 1.00 0.00 C ATOM 759 O ILE A 46 3.133 -2.949 6.516 1.00 0.00 O ATOM 760 CB ILE A 46 1.062 -1.781 4.586 1.00 0.00 C ATOM 761 CG1 ILE A 46 0.431 -1.537 3.211 1.00 0.00 C ATOM 762 CG2 ILE A 46 0.636 -0.695 5.554 1.00 0.00 C ATOM 763 CD1 ILE A 46 -1.072 -1.618 3.193 1.00 0.00 C ATOM 0 H ILE A 46 2.289 -3.536 3.336 1.00 0.00 H new ATOM 0 HA ILE A 46 2.901 -0.858 4.013 1.00 0.00 H new ATOM 0 HB ILE A 46 0.722 -2.740 4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.734 -0.552 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.830 -2.267 2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.451 -0.689 5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.076 -0.887 6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.976 0.273 5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.434 -1.433 2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.387 -2.611 3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.485 -0.869 3.869 1.00 0.00 H new ATOM 775 N TYR A 47 4.060 -0.923 6.136 1.00 0.00 N ATOM 776 CA TYR A 47 4.859 -0.866 7.354 1.00 0.00 C ATOM 777 C TYR A 47 4.018 -0.457 8.545 1.00 0.00 C ATOM 778 O TYR A 47 4.491 -0.501 9.686 1.00 0.00 O ATOM 779 CB TYR A 47 6.016 0.127 7.197 1.00 0.00 C ATOM 780 CG TYR A 47 7.355 -0.490 6.856 1.00 0.00 C ATOM 781 CD1 TYR A 47 8.108 -0.007 5.801 1.00 0.00 C ATOM 782 CD2 TYR A 47 7.871 -1.543 7.595 1.00 0.00 C ATOM 783 CE1 TYR A 47 9.339 -0.554 5.489 1.00 0.00 C ATOM 784 CE2 TYR A 47 9.102 -2.093 7.284 1.00 0.00 C ATOM 785 CZ TYR A 47 9.827 -1.594 6.232 1.00 0.00 C ATOM 786 OH TYR A 47 11.056 -2.139 5.921 1.00 0.00 O ATOM 0 H TYR A 47 4.148 -0.088 5.557 1.00 0.00 H new ATOM 0 HA TYR A 47 5.256 -1.866 7.526 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.755 0.843 6.418 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.119 0.689 8.125 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.727 0.813 5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.305 -1.940 8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.913 -0.162 4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.491 -2.914 7.868 1.00 0.00 H new ATOM 0 HH TYR A 47 11.258 -2.868 6.544 1.00 0.00 H new ATOM 796 N ASN A 48 2.797 -0.030 8.274 1.00 0.00 N ATOM 797 CA ASN A 48 1.853 0.344 9.323 1.00 0.00 C ATOM 798 C ASN A 48 1.675 -0.813 10.258 1.00 0.00 C ATOM 799 O ASN A 48 1.569 -1.962 9.822 1.00 0.00 O ATOM 800 CB ASN A 48 0.479 0.737 8.766 1.00 0.00 C ATOM 801 CG ASN A 48 0.492 1.990 7.917 1.00 0.00 C ATOM 802 OD1 ASN A 48 1.468 2.728 7.869 1.00 0.00 O ATOM 803 ND2 ASN A 48 -0.597 2.257 7.264 1.00 0.00 N ATOM 0 H ASN A 48 2.430 0.068 7.328 1.00 0.00 H new ATOM 0 HA ASN A 48 2.266 1.212 9.837 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.091 -0.089 8.170 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.211 0.882 9.598 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.655 3.100 6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.395 1.624 7.322 1.00 0.00 H new ATOM 810 N VAL A 49 1.653 -0.532 11.515 1.00 0.00 N ATOM 811 CA VAL A 49 1.554 -1.579 12.495 1.00 0.00 C ATOM 812 C VAL A 49 0.099 -1.927 12.692 1.00 0.00 C ATOM 813 O VAL A 49 -0.369 -2.996 12.274 1.00 0.00 O ATOM 814 CB VAL A 49 2.192 -1.173 13.850 1.00 0.00 C ATOM 815 CG1 VAL A 49 2.444 -2.384 14.712 1.00 0.00 C ATOM 816 CG2 VAL A 49 3.474 -0.389 13.641 1.00 0.00 C ATOM 0 H VAL A 49 1.702 0.412 11.897 1.00 0.00 H new ATOM 0 HA VAL A 49 2.106 -2.444 12.128 1.00 0.00 H new ATOM 0 HB VAL A 49 1.483 -0.527 14.368 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.891 -2.072 15.656 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.501 -2.893 14.908 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.122 -3.063 14.196 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.897 -0.119 14.609 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.189 -1.000 13.090 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.258 0.516 13.074 1.00 0.00 H new ATOM 826 N ARG A 50 -0.621 -1.014 13.278 1.00 0.00 N ATOM 827 CA ARG A 50 -2.026 -1.195 13.521 1.00 0.00 C ATOM 828 C ARG A 50 -2.767 -0.023 12.915 1.00 0.00 C ATOM 829 O ARG A 50 -3.177 -0.078 11.748 1.00 0.00 O ATOM 830 CB ARG A 50 -2.300 -1.326 15.024 1.00 0.00 C ATOM 831 CG ARG A 50 -1.588 -2.492 15.672 1.00 0.00 C ATOM 832 CD ARG A 50 -1.662 -2.442 17.178 1.00 0.00 C ATOM 833 NE ARG A 50 -0.835 -3.490 17.778 1.00 0.00 N ATOM 834 CZ ARG A 50 -1.066 -4.081 18.951 1.00 0.00 C ATOM 835 NH1 ARG A 50 -2.041 -3.637 19.744 1.00 0.00 N ATOM 836 NH2 ARG A 50 -0.293 -5.091 19.339 1.00 0.00 N ATOM 0 H ARG A 50 -0.251 -0.120 13.602 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.376 -2.117 13.056 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.997 -0.405 15.521 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.373 -1.434 15.181 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.028 -3.425 15.320 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.543 -2.495 15.362 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.330 -1.465 17.530 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.697 -2.562 17.499 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.013 -3.794 17.255 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.613 -2.843 19.454 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.216 -4.091 20.641 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.470 -5.408 18.741 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.463 -5.548 20.235 1.00 0.00 H new ATOM 850 N GLY A 51 -2.870 1.055 13.655 1.00 0.00 N ATOM 851 CA GLY A 51 -3.502 2.237 13.145 1.00 0.00 C ATOM 852 C GLY A 51 -2.469 3.166 12.594 1.00 0.00 C ATOM 853 O GLY A 51 -2.257 4.244 13.130 1.00 0.00 O ATOM 0 H GLY A 51 -2.523 1.133 14.611 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.217 1.971 12.367 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.063 2.731 13.938 1.00 0.00 H new ATOM 857 N LYS A 52 -1.819 2.720 11.525 1.00 0.00 N ATOM 858 CA LYS A 52 -0.712 3.433 10.888 1.00 0.00 C ATOM 859 C LYS A 52 0.512 3.371 11.797 1.00 0.00 C ATOM 860 O LYS A 52 0.838 4.363 12.467 1.00 0.00 O ATOM 861 CB LYS A 52 -1.064 4.901 10.489 1.00 0.00 C ATOM 862 CG LYS A 52 -1.928 5.053 9.229 1.00 0.00 C ATOM 863 CD LYS A 52 -3.382 4.674 9.476 1.00 0.00 C ATOM 864 CE LYS A 52 -4.228 4.827 8.223 1.00 0.00 C ATOM 865 NZ LYS A 52 -4.479 6.245 7.871 1.00 0.00 N ATOM 866 OXT LYS A 52 1.120 2.279 11.900 1.00 0.00 O ATOM 0 H LYS A 52 -2.049 1.838 11.067 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.493 2.932 9.945 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.583 5.372 11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.135 5.452 10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.878 6.084 8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.522 4.427 8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.434 3.643 9.826 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.791 5.300 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.728 4.333 7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.181 4.319 8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.168 6.293 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.857 6.747 8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.588 6.691 7.572 1.00 0.00 H new TER 880 LYS A 52