USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 467 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 171 GLN : amide:sc= 0.657 K(o=0.66,f=-0.33) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -0.0402 K(o=-0.04,f=-0.66) USER MOD Single : A 175 GLN : amide:sc= -1.04! C(o=-1!,f=-1.9!) USER MOD Single : A 176 ASN : amide:sc= -0.0796 K(o=-0.08,f=-5.2!) USER MOD Single : A 177 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.2!) USER MOD Single : A 180 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 184 ASN : amide:sc= -0.045 K(o=-0.045,f=-1.5!) USER MOD Single : A 186 THR OG1 : rot -81:sc= -1.05! USER MOD Single : A 188 LYS NZ :NH3+ -161:sc=-0.00833 (180deg=-0.153) USER MOD Single : A 189 GLN : amide:sc= -2.26! K(o=-2.3!,f=-0.2) USER MOD Single : A 190 HIS : no HD1:sc= -0.758 K(o=-0.76,f=-3.4!) USER MOD Single : A 191 THR OG1 : rot -83:sc= 1.27 USER MOD Single : A 193 THR OG1 : rot 72:sc= 0.369 USER MOD Single : A 194 THR OG1 : rot 135:sc= 1.23 USER MOD Single : A 195 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 196 THR OG1 : rot 9:sc= -0.242 USER MOD Single : A 197 LYS NZ :NH3+ -110:sc= 0.12 (180deg=-0.0238) USER MOD Single : A 200 ASN : amide:sc= -0.0418 X(o=-0.042,f=-0.42) USER MOD Single : A 202 THR OG1 : rot -26:sc= 0.9 USER MOD Single : A 204 THR OG1 : rot 180:sc= 0.00123 USER MOD Single : A 207 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.15) USER MOD Single : A 209 MET CE :methyl -164:sc= -11.7! (180deg=-12.2!) USER MOD Single : A 215 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.13) USER MOD Single : A 216 MET CE :methyl -175:sc= -2.2 (180deg=-2.26) USER MOD Single : A 219 THR OG1 : rot 84:sc= 1.06 USER MOD Single : A 220 GLN : amide:sc= -7.22! C(o=-7.2!,f=-2.2!) USER MOD Single : A 221 TYR OH : rot 180:sc= 0 USER MOD Single : A 222 GLN : amide:sc= -1.65! K(o=-1.6!,f=0) USER MOD Single : A 225 SER OG : rot -78:sc= 0.115 USER MOD Single : A 226 GLN : amide:sc= -3.12 K(o=-3.1,f=-0.033) USER MOD Single : A 228 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 169 16.134 3.201 1.251 1.00 0.00 N ATOM 40 CA VAL A 169 14.839 3.829 1.060 1.00 0.00 C ATOM 41 C VAL A 169 14.554 4.065 -0.414 1.00 0.00 C ATOM 42 O VAL A 169 13.799 4.975 -0.777 1.00 0.00 O ATOM 43 CB VAL A 169 14.694 5.170 1.801 1.00 0.00 C ATOM 44 CG1 VAL A 169 14.872 5.010 3.304 1.00 0.00 C ATOM 45 CG2 VAL A 169 15.680 6.188 1.256 1.00 0.00 C ATOM 0 HA VAL A 169 14.119 3.128 1.481 1.00 0.00 H new ATOM 0 HB VAL A 169 13.680 5.531 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 169 14.762 5.980 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 169 14.117 4.324 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 169 15.865 4.611 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 169 15.563 7.130 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 169 16.696 5.818 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 169 15.489 6.348 0.195 1.00 0.00 H new ATOM 55 N ASP A 170 15.150 3.242 -1.267 1.00 0.00 N ATOM 56 CA ASP A 170 14.955 3.358 -2.709 1.00 0.00 C ATOM 57 C ASP A 170 13.490 3.134 -3.092 1.00 0.00 C ATOM 58 O ASP A 170 13.125 3.228 -4.259 1.00 0.00 O ATOM 59 CB ASP A 170 15.869 2.391 -3.471 1.00 0.00 C ATOM 60 CG ASP A 170 15.655 0.943 -3.087 1.00 0.00 C ATOM 61 OD1 ASP A 170 14.802 0.278 -3.705 1.00 0.00 O ATOM 62 OD2 ASP A 170 16.354 0.460 -2.169 1.00 0.00 O ATOM 0 H ASP A 170 15.774 2.485 -0.986 1.00 0.00 H new ATOM 0 HA ASP A 170 15.225 4.375 -2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 170 15.697 2.506 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 170 16.909 2.660 -3.284 1.00 0.00 H new ATOM 67 N GLN A 171 12.658 2.848 -2.092 1.00 0.00 N ATOM 68 CA GLN A 171 11.208 2.848 -2.254 1.00 0.00 C ATOM 69 C GLN A 171 10.732 4.221 -2.736 1.00 0.00 C ATOM 70 O GLN A 171 9.695 4.336 -3.384 1.00 0.00 O ATOM 71 CB GLN A 171 10.519 2.475 -0.926 1.00 0.00 C ATOM 72 CG GLN A 171 10.394 0.972 -0.695 1.00 0.00 C ATOM 73 CD GLN A 171 11.707 0.229 -0.846 1.00 0.00 C ATOM 74 OE1 GLN A 171 12.052 -0.222 -1.940 1.00 0.00 O ATOM 75 NE2 GLN A 171 12.440 0.080 0.244 1.00 0.00 N ATOM 0 H GLN A 171 12.970 2.611 -1.150 1.00 0.00 H new ATOM 0 HA GLN A 171 10.939 2.103 -3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 171 11.080 2.914 -0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 171 9.524 2.920 -0.907 1.00 0.00 H new ATOM 0 HG2 GLN A 171 9.999 0.797 0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 171 9.670 0.562 -1.399 1.00 0.00 H new ATOM 0 HE21 GLN A 171 12.120 0.468 1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 171 13.326 -0.423 0.198 1.00 0.00 H new ATOM 84 N TYR A 172 11.504 5.257 -2.416 1.00 0.00 N ATOM 85 CA TYR A 172 11.213 6.605 -2.890 1.00 0.00 C ATOM 86 C TYR A 172 12.013 6.913 -4.153 1.00 0.00 C ATOM 87 O TYR A 172 11.497 7.500 -5.103 1.00 0.00 O ATOM 88 CB TYR A 172 11.536 7.635 -1.802 1.00 0.00 C ATOM 89 CG TYR A 172 11.271 9.067 -2.216 1.00 0.00 C ATOM 90 CD1 TYR A 172 9.983 9.568 -2.238 1.00 0.00 C ATOM 91 CD2 TYR A 172 12.310 9.914 -2.586 1.00 0.00 C ATOM 92 CE1 TYR A 172 9.728 10.868 -2.615 1.00 0.00 C ATOM 93 CE2 TYR A 172 12.064 11.220 -2.965 1.00 0.00 C ATOM 94 CZ TYR A 172 10.768 11.689 -2.977 1.00 0.00 C ATOM 95 OH TYR A 172 10.509 12.988 -3.349 1.00 0.00 O ATOM 0 H TYR A 172 12.336 5.187 -1.830 1.00 0.00 H new ATOM 0 HA TYR A 172 10.150 6.663 -3.126 1.00 0.00 H new ATOM 0 HB2 TYR A 172 10.946 7.409 -0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 172 12.585 7.536 -1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 172 9.161 8.928 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 172 13.325 9.545 -2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 172 8.714 11.240 -2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 172 12.880 11.868 -3.249 1.00 0.00 H new ATOM 0 HH TYR A 172 11.350 13.438 -3.575 1.00 0.00 H new ATOM 105 N SER A 173 13.279 6.526 -4.142 1.00 0.00 N ATOM 106 CA SER A 173 14.176 6.750 -5.274 1.00 0.00 C ATOM 107 C SER A 173 13.660 6.060 -6.547 1.00 0.00 C ATOM 108 O SER A 173 13.856 6.555 -7.655 1.00 0.00 O ATOM 109 CB SER A 173 15.581 6.243 -4.920 1.00 0.00 C ATOM 110 OG SER A 173 16.553 6.706 -5.841 1.00 0.00 O ATOM 0 H SER A 173 13.716 6.049 -3.353 1.00 0.00 H new ATOM 0 HA SER A 173 14.215 7.820 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 173 15.845 6.574 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 173 15.582 5.153 -4.907 1.00 0.00 H new ATOM 0 HG SER A 173 17.435 6.365 -5.584 1.00 0.00 H new ATOM 116 N ASN A 174 12.990 4.925 -6.377 1.00 0.00 N ATOM 117 CA ASN A 174 12.448 4.152 -7.499 1.00 0.00 C ATOM 118 C ASN A 174 10.931 4.305 -7.570 1.00 0.00 C ATOM 119 O ASN A 174 10.227 3.428 -8.070 1.00 0.00 O ATOM 120 CB ASN A 174 12.815 2.670 -7.367 1.00 0.00 C ATOM 121 CG ASN A 174 14.306 2.416 -7.461 1.00 0.00 C ATOM 122 OD1 ASN A 174 15.036 3.139 -8.142 1.00 0.00 O ATOM 123 ND2 ASN A 174 14.771 1.389 -6.769 1.00 0.00 N ATOM 0 H ASN A 174 12.806 4.513 -5.463 1.00 0.00 H new ATOM 0 HA ASN A 174 12.887 4.540 -8.418 1.00 0.00 H new ATOM 0 HB2 ASN A 174 12.448 2.295 -6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 174 12.306 2.105 -8.148 1.00 0.00 H new ATOM 0 HD21 ASN A 174 15.767 1.171 -6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 174 14.133 0.815 -6.218 1.00 0.00 H new ATOM 130 N GLN A 175 10.468 5.454 -7.073 1.00 0.00 N ATOM 131 CA GLN A 175 9.065 5.707 -6.718 1.00 0.00 C ATOM 132 C GLN A 175 8.066 5.136 -7.720 1.00 0.00 C ATOM 133 O GLN A 175 7.265 4.286 -7.358 1.00 0.00 O ATOM 134 CB GLN A 175 8.851 7.221 -6.578 1.00 0.00 C ATOM 135 CG GLN A 175 7.733 7.626 -5.621 1.00 0.00 C ATOM 136 CD GLN A 175 6.350 7.637 -6.252 1.00 0.00 C ATOM 137 OE1 GLN A 175 6.199 7.872 -7.451 1.00 0.00 O ATOM 138 NE2 GLN A 175 5.328 7.412 -5.432 1.00 0.00 N ATOM 0 H GLN A 175 11.073 6.257 -6.901 1.00 0.00 H new ATOM 0 HA GLN A 175 8.877 5.193 -5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 175 9.782 7.675 -6.239 1.00 0.00 H new ATOM 0 HB3 GLN A 175 8.635 7.635 -7.563 1.00 0.00 H new ATOM 0 HG2 GLN A 175 7.729 6.941 -4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 175 7.949 8.619 -5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 175 5.499 7.221 -4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.373 7.430 -5.790 1.00 0.00 H new ATOM 147 N ASN A 176 8.115 5.581 -8.967 1.00 0.00 N ATOM 148 CA ASN A 176 7.081 5.221 -9.938 1.00 0.00 C ATOM 149 C ASN A 176 7.053 3.719 -10.229 1.00 0.00 C ATOM 150 O ASN A 176 6.002 3.087 -10.131 1.00 0.00 O ATOM 151 CB ASN A 176 7.240 6.020 -11.242 1.00 0.00 C ATOM 152 CG ASN A 176 8.538 5.743 -11.990 1.00 0.00 C ATOM 153 OD1 ASN A 176 9.574 5.437 -11.395 1.00 0.00 O ATOM 154 ND2 ASN A 176 8.486 5.847 -13.308 1.00 0.00 N ATOM 0 H ASN A 176 8.850 6.186 -9.332 1.00 0.00 H new ATOM 0 HA ASN A 176 6.124 5.482 -9.485 1.00 0.00 H new ATOM 0 HB2 ASN A 176 6.400 5.793 -11.899 1.00 0.00 H new ATOM 0 HB3 ASN A 176 7.186 7.084 -11.012 1.00 0.00 H new ATOM 0 HD21 ASN A 176 9.321 5.672 -13.867 1.00 0.00 H new ATOM 0 HD22 ASN A 176 7.611 6.102 -13.765 1.00 0.00 H new ATOM 161 N ASN A 177 8.205 3.146 -10.554 1.00 0.00 N ATOM 162 CA ASN A 177 8.286 1.730 -10.909 1.00 0.00 C ATOM 163 C ASN A 177 7.941 0.867 -9.706 1.00 0.00 C ATOM 164 O ASN A 177 7.174 -0.092 -9.815 1.00 0.00 O ATOM 165 CB ASN A 177 9.692 1.403 -11.437 1.00 0.00 C ATOM 166 CG ASN A 177 9.802 0.033 -12.094 1.00 0.00 C ATOM 167 OD1 ASN A 177 9.105 -0.915 -11.734 1.00 0.00 O ATOM 168 ND2 ASN A 177 10.694 -0.080 -13.067 1.00 0.00 N ATOM 0 H ASN A 177 9.098 3.638 -10.580 1.00 0.00 H new ATOM 0 HA ASN A 177 7.564 1.515 -11.697 1.00 0.00 H new ATOM 0 HB2 ASN A 177 9.985 2.166 -12.159 1.00 0.00 H new ATOM 0 HB3 ASN A 177 10.401 1.457 -10.611 1.00 0.00 H new ATOM 0 HD21 ASN A 177 10.819 -0.974 -13.543 1.00 0.00 H new ATOM 0 HD22 ASN A 177 11.255 0.727 -13.340 1.00 0.00 H new ATOM 175 N PHE A 178 8.487 1.230 -8.555 1.00 0.00 N ATOM 176 CA PHE A 178 8.191 0.525 -7.322 1.00 0.00 C ATOM 177 C PHE A 178 6.704 0.599 -7.002 1.00 0.00 C ATOM 178 O PHE A 178 6.095 -0.412 -6.684 1.00 0.00 O ATOM 179 CB PHE A 178 9.027 1.092 -6.165 1.00 0.00 C ATOM 180 CG PHE A 178 8.350 1.008 -4.823 1.00 0.00 C ATOM 181 CD1 PHE A 178 8.422 -0.139 -4.049 1.00 0.00 C ATOM 182 CD2 PHE A 178 7.626 2.086 -4.345 1.00 0.00 C ATOM 183 CE1 PHE A 178 7.783 -0.203 -2.823 1.00 0.00 C ATOM 184 CE2 PHE A 178 6.986 2.025 -3.129 1.00 0.00 C ATOM 185 CZ PHE A 178 7.062 0.884 -2.364 1.00 0.00 C ATOM 0 H PHE A 178 9.137 2.009 -8.452 1.00 0.00 H new ATOM 0 HA PHE A 178 8.456 -0.524 -7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 178 9.974 0.555 -6.117 1.00 0.00 H new ATOM 0 HB3 PHE A 178 9.262 2.135 -6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 178 8.982 -0.991 -4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 178 7.563 2.988 -4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 178 7.847 -1.101 -2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 178 6.422 2.875 -2.774 1.00 0.00 H new ATOM 0 HZ PHE A 178 6.560 0.837 -1.409 1.00 0.00 H new ATOM 195 N VAL A 179 6.123 1.789 -7.104 1.00 0.00 N ATOM 196 CA VAL A 179 4.718 1.978 -6.763 1.00 0.00 C ATOM 197 C VAL A 179 3.818 1.171 -7.680 1.00 0.00 C ATOM 198 O VAL A 179 2.936 0.473 -7.209 1.00 0.00 O ATOM 199 CB VAL A 179 4.300 3.472 -6.767 1.00 0.00 C ATOM 200 CG1 VAL A 179 2.781 3.629 -6.764 1.00 0.00 C ATOM 201 CG2 VAL A 179 4.894 4.182 -5.558 1.00 0.00 C ATOM 0 H VAL A 179 6.600 2.634 -7.419 1.00 0.00 H new ATOM 0 HA VAL A 179 4.596 1.612 -5.743 1.00 0.00 H new ATOM 0 HB VAL A 179 4.684 3.923 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 179 2.525 4.688 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 179 2.364 3.152 -7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 179 2.368 3.158 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 179 4.596 5.230 -5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 179 4.531 3.711 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 179 5.981 4.114 -5.594 1.00 0.00 H new ATOM 211 N HIS A 180 4.057 1.229 -8.980 1.00 0.00 N ATOM 212 CA HIS A 180 3.223 0.489 -9.921 1.00 0.00 C ATOM 213 C HIS A 180 3.235 -1.005 -9.593 1.00 0.00 C ATOM 214 O HIS A 180 2.180 -1.616 -9.403 1.00 0.00 O ATOM 215 CB HIS A 180 3.678 0.729 -11.365 1.00 0.00 C ATOM 216 CG HIS A 180 3.529 2.150 -11.822 1.00 0.00 C ATOM 217 ND1 HIS A 180 4.349 2.682 -12.788 1.00 0.00 N ATOM 218 CD2 HIS A 180 2.648 3.098 -11.420 1.00 0.00 C ATOM 219 CE1 HIS A 180 3.955 3.932 -12.951 1.00 0.00 C ATOM 220 NE2 HIS A 180 2.927 4.231 -12.145 1.00 0.00 N ATOM 0 H HIS A 180 4.809 1.771 -9.406 1.00 0.00 H new ATOM 0 HA HIS A 180 2.201 0.854 -9.825 1.00 0.00 H new ATOM 0 HB2 HIS A 180 4.723 0.435 -11.460 1.00 0.00 H new ATOM 0 HB3 HIS A 180 3.104 0.082 -12.029 1.00 0.00 H new ATOM 0 HD2 HIS A 180 1.876 2.985 -10.674 1.00 0.00 H new ATOM 0 HE1 HIS A 180 4.405 4.626 -13.646 1.00 0.00 H new ATOM 0 HE2 HIS A 180 2.444 5.127 -12.082 1.00 0.00 H new ATOM 227 N ASP A 181 4.429 -1.580 -9.494 1.00 0.00 N ATOM 228 CA ASP A 181 4.571 -3.004 -9.167 1.00 0.00 C ATOM 229 C ASP A 181 4.021 -3.328 -7.778 1.00 0.00 C ATOM 230 O ASP A 181 3.323 -4.327 -7.588 1.00 0.00 O ATOM 231 CB ASP A 181 6.046 -3.415 -9.246 1.00 0.00 C ATOM 232 CG ASP A 181 6.273 -4.866 -8.859 1.00 0.00 C ATOM 233 OD1 ASP A 181 6.106 -5.755 -9.723 1.00 0.00 O ATOM 234 OD2 ASP A 181 6.631 -5.131 -7.689 1.00 0.00 O ATOM 0 H ASP A 181 5.312 -1.089 -9.634 1.00 0.00 H new ATOM 0 HA ASP A 181 3.990 -3.568 -9.897 1.00 0.00 H new ATOM 0 HB2 ASP A 181 6.410 -3.253 -10.261 1.00 0.00 H new ATOM 0 HB3 ASP A 181 6.633 -2.772 -8.590 1.00 0.00 H new ATOM 239 N CYS A 182 4.328 -2.475 -6.816 1.00 0.00 N ATOM 240 CA CYS A 182 3.956 -2.709 -5.427 1.00 0.00 C ATOM 241 C CYS A 182 2.454 -2.573 -5.203 1.00 0.00 C ATOM 242 O CYS A 182 1.874 -3.379 -4.485 1.00 0.00 O ATOM 243 CB CYS A 182 4.734 -1.770 -4.506 1.00 0.00 C ATOM 244 SG CYS A 182 3.965 -1.495 -2.883 1.00 0.00 S ATOM 0 H CYS A 182 4.839 -1.606 -6.971 1.00 0.00 H new ATOM 0 HA CYS A 182 4.219 -3.739 -5.184 1.00 0.00 H new ATOM 0 HB2 CYS A 182 5.734 -2.176 -4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 182 4.852 -0.808 -5.005 1.00 0.00 H new ATOM 249 N VAL A 183 1.814 -1.580 -5.811 1.00 0.00 N ATOM 250 CA VAL A 183 0.368 -1.433 -5.672 1.00 0.00 C ATOM 251 C VAL A 183 -0.321 -2.654 -6.251 1.00 0.00 C ATOM 252 O VAL A 183 -1.353 -3.096 -5.754 1.00 0.00 O ATOM 253 CB VAL A 183 -0.170 -0.154 -6.350 1.00 0.00 C ATOM 254 CG1 VAL A 183 -1.682 -0.045 -6.213 1.00 0.00 C ATOM 255 CG2 VAL A 183 0.491 1.067 -5.751 1.00 0.00 C ATOM 0 H VAL A 183 2.263 -0.875 -6.396 1.00 0.00 H new ATOM 0 HA VAL A 183 0.150 -1.343 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 183 0.069 -0.212 -7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -2.027 0.866 -6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -2.153 -0.909 -6.682 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -1.950 -0.015 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 183 0.105 1.964 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.276 1.110 -4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.569 1.008 -5.902 1.00 0.00 H new ATOM 265 N ASN A 184 0.274 -3.215 -7.287 1.00 0.00 N ATOM 266 CA ASN A 184 -0.228 -4.463 -7.837 1.00 0.00 C ATOM 267 C ASN A 184 -0.182 -5.575 -6.789 1.00 0.00 C ATOM 268 O ASN A 184 -1.211 -6.153 -6.458 1.00 0.00 O ATOM 269 CB ASN A 184 0.552 -4.888 -9.085 1.00 0.00 C ATOM 270 CG ASN A 184 0.207 -4.055 -10.306 1.00 0.00 C ATOM 271 OD1 ASN A 184 -0.889 -3.499 -10.405 1.00 0.00 O ATOM 272 ND2 ASN A 184 1.127 -3.982 -11.254 1.00 0.00 N ATOM 0 H ASN A 184 1.094 -2.834 -7.760 1.00 0.00 H new ATOM 0 HA ASN A 184 -1.264 -4.292 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 184 1.620 -4.807 -8.885 1.00 0.00 H new ATOM 0 HB3 ASN A 184 0.346 -5.937 -9.297 1.00 0.00 H new ATOM 0 HD21 ASN A 184 0.941 -3.451 -12.105 1.00 0.00 H new ATOM 0 HD22 ASN A 184 2.022 -4.457 -11.134 1.00 0.00 H new ATOM 279 N ILE A 185 0.994 -5.841 -6.226 1.00 0.00 N ATOM 280 CA ILE A 185 1.140 -6.927 -5.253 1.00 0.00 C ATOM 281 C ILE A 185 0.357 -6.667 -3.971 1.00 0.00 C ATOM 282 O ILE A 185 -0.129 -7.604 -3.343 1.00 0.00 O ATOM 283 CB ILE A 185 2.617 -7.245 -4.920 1.00 0.00 C ATOM 284 CG1 ILE A 185 3.401 -6.005 -4.473 1.00 0.00 C ATOM 285 CG2 ILE A 185 3.289 -7.901 -6.113 1.00 0.00 C ATOM 286 CD1 ILE A 185 3.392 -5.780 -2.972 1.00 0.00 C ATOM 0 H ILE A 185 1.853 -5.327 -6.422 1.00 0.00 H new ATOM 0 HA ILE A 185 0.716 -7.805 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 185 2.618 -7.936 -4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 185 4.433 -6.099 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 185 2.983 -5.126 -4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 185 4.328 -8.121 -5.869 1.00 0.00 H new ATOM 0 HG22 ILE A 185 2.770 -8.827 -6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 185 3.252 -7.226 -6.968 1.00 0.00 H new ATOM 0 HD11 ILE A 185 3.967 -4.885 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 185 2.365 -5.653 -2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 185 3.837 -6.640 -2.472 1.00 0.00 H new ATOM 298 N THR A 186 0.237 -5.408 -3.580 1.00 0.00 N ATOM 299 CA THR A 186 -0.609 -5.062 -2.444 1.00 0.00 C ATOM 300 C THR A 186 -2.071 -5.355 -2.745 1.00 0.00 C ATOM 301 O THR A 186 -2.829 -5.705 -1.843 1.00 0.00 O ATOM 302 CB THR A 186 -0.424 -3.602 -1.961 1.00 0.00 C ATOM 303 OG1 THR A 186 -0.161 -2.733 -3.061 1.00 0.00 O ATOM 304 CG2 THR A 186 0.707 -3.501 -0.947 1.00 0.00 C ATOM 0 H THR A 186 0.706 -4.618 -4.023 1.00 0.00 H new ATOM 0 HA THR A 186 -0.285 -5.697 -1.620 1.00 0.00 H new ATOM 0 HB THR A 186 -1.353 -3.295 -1.481 1.00 0.00 H new ATOM 0 HG1 THR A 186 0.785 -2.795 -3.307 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.815 -2.465 -0.625 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.480 -4.128 -0.085 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.637 -3.838 -1.405 1.00 0.00 H new ATOM 312 N VAL A 187 -2.471 -5.229 -4.007 1.00 0.00 N ATOM 313 CA VAL A 187 -3.804 -5.651 -4.404 1.00 0.00 C ATOM 314 C VAL A 187 -3.962 -7.147 -4.163 1.00 0.00 C ATOM 315 O VAL A 187 -4.954 -7.586 -3.583 1.00 0.00 O ATOM 316 CB VAL A 187 -4.129 -5.327 -5.885 1.00 0.00 C ATOM 317 CG1 VAL A 187 -5.370 -6.082 -6.339 1.00 0.00 C ATOM 318 CG2 VAL A 187 -4.335 -3.833 -6.086 1.00 0.00 C ATOM 0 H VAL A 187 -1.900 -4.844 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 187 -4.509 -5.088 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 187 -3.278 -5.645 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -5.582 -5.841 -7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -5.200 -7.154 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -6.219 -5.792 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.561 -3.635 -7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -5.164 -3.493 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -3.427 -3.299 -5.804 1.00 0.00 H new ATOM 328 N LYS A 188 -2.966 -7.925 -4.590 1.00 0.00 N ATOM 329 CA LYS A 188 -2.961 -9.355 -4.343 1.00 0.00 C ATOM 330 C LYS A 188 -3.078 -9.620 -2.844 1.00 0.00 C ATOM 331 O LYS A 188 -3.908 -10.405 -2.402 1.00 0.00 O ATOM 332 CB LYS A 188 -1.672 -9.998 -4.870 1.00 0.00 C ATOM 333 CG LYS A 188 -1.634 -10.273 -6.373 1.00 0.00 C ATOM 334 CD LYS A 188 -1.285 -9.034 -7.187 1.00 0.00 C ATOM 335 CE LYS A 188 -2.522 -8.381 -7.786 1.00 0.00 C ATOM 336 NZ LYS A 188 -3.130 -9.200 -8.866 1.00 0.00 N ATOM 0 H LYS A 188 -2.156 -7.583 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 188 -3.811 -9.794 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 188 -0.834 -9.348 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 188 -1.516 -10.939 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 188 -0.903 -11.055 -6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 188 -2.604 -10.652 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 188 -0.767 -8.316 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 188 -0.596 -9.307 -7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 188 -3.259 -8.217 -7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 188 -2.256 -7.401 -8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 -3.748 -8.601 -9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 -2.378 -9.605 -9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 -3.690 -9.969 -8.445 1.00 0.00 H new ATOM 350 N GLN A 189 -2.264 -8.909 -2.076 1.00 0.00 N ATOM 351 CA GLN A 189 -2.225 -9.046 -0.628 1.00 0.00 C ATOM 352 C GLN A 189 -3.585 -8.770 0.002 1.00 0.00 C ATOM 353 O GLN A 189 -4.113 -9.593 0.751 1.00 0.00 O ATOM 354 CB GLN A 189 -1.188 -8.075 -0.069 1.00 0.00 C ATOM 355 CG GLN A 189 -0.983 -8.180 1.428 1.00 0.00 C ATOM 356 CD GLN A 189 0.364 -7.640 1.851 1.00 0.00 C ATOM 357 OE1 GLN A 189 0.521 -7.105 2.949 1.00 0.00 O ATOM 358 NE2 GLN A 189 1.352 -7.793 0.981 1.00 0.00 N ATOM 0 H GLN A 189 -1.609 -8.218 -2.442 1.00 0.00 H new ATOM 0 HA GLN A 189 -1.954 -10.074 -0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 189 -0.235 -8.251 -0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 189 -1.492 -7.057 -0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 189 -1.772 -7.631 1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 189 -1.069 -9.223 1.734 1.00 0.00 H new ATOM 0 HE21 GLN A 189 1.175 -8.243 0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 189 2.289 -7.461 1.210 1.00 0.00 H new ATOM 367 N HIS A 190 -4.149 -7.615 -0.320 1.00 0.00 N ATOM 368 CA HIS A 190 -5.384 -7.165 0.301 1.00 0.00 C ATOM 369 C HIS A 190 -6.547 -8.068 -0.093 1.00 0.00 C ATOM 370 O HIS A 190 -7.377 -8.422 0.745 1.00 0.00 O ATOM 371 CB HIS A 190 -5.669 -5.716 -0.096 1.00 0.00 C ATOM 372 CG HIS A 190 -6.569 -4.996 0.859 1.00 0.00 C ATOM 373 ND1 HIS A 190 -7.553 -4.146 0.419 1.00 0.00 N ATOM 374 CD2 HIS A 190 -6.569 -5.013 2.212 1.00 0.00 C ATOM 375 CE1 HIS A 190 -8.128 -3.665 1.504 1.00 0.00 C ATOM 376 NE2 HIS A 190 -7.567 -4.165 2.619 1.00 0.00 N ATOM 0 H HIS A 190 -3.768 -6.970 -1.012 1.00 0.00 H new ATOM 0 HA HIS A 190 -5.270 -7.217 1.384 1.00 0.00 H new ATOM 0 HB2 HIS A 190 -4.725 -5.176 -0.169 1.00 0.00 H new ATOM 0 HB3 HIS A 190 -6.121 -5.703 -1.088 1.00 0.00 H new ATOM 0 HD2 HIS A 190 -5.910 -5.584 2.849 1.00 0.00 H new ATOM 0 HE1 HIS A 190 -8.945 -2.959 1.498 1.00 0.00 H new ATOM 0 HE2 HIS A 190 -7.832 -3.954 3.581 1.00 0.00 H new ATOM 383 N THR A 191 -6.584 -8.469 -1.360 1.00 0.00 N ATOM 384 CA THR A 191 -7.641 -9.346 -1.842 1.00 0.00 C ATOM 385 C THR A 191 -7.531 -10.731 -1.205 1.00 0.00 C ATOM 386 O THR A 191 -8.542 -11.360 -0.901 1.00 0.00 O ATOM 387 CB THR A 191 -7.642 -9.466 -3.381 1.00 0.00 C ATOM 388 OG1 THR A 191 -6.351 -9.856 -3.861 1.00 0.00 O ATOM 389 CG2 THR A 191 -8.043 -8.148 -4.021 1.00 0.00 C ATOM 0 H THR A 191 -5.898 -8.202 -2.066 1.00 0.00 H new ATOM 0 HA THR A 191 -8.587 -8.893 -1.546 1.00 0.00 H new ATOM 0 HB THR A 191 -8.368 -10.231 -3.654 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.775 -9.066 -3.930 1.00 0.00 H new ATOM 0 HG21 THR A 191 -8.037 -8.254 -5.106 1.00 0.00 H new ATOM 0 HG22 THR A 191 -9.044 -7.872 -3.688 1.00 0.00 H new ATOM 0 HG23 THR A 191 -7.336 -7.372 -3.729 1.00 0.00 H new ATOM 397 N VAL A 192 -6.299 -11.196 -0.989 1.00 0.00 N ATOM 398 CA VAL A 192 -6.067 -12.453 -0.284 1.00 0.00 C ATOM 399 C VAL A 192 -6.596 -12.368 1.143 1.00 0.00 C ATOM 400 O VAL A 192 -7.279 -13.275 1.608 1.00 0.00 O ATOM 401 CB VAL A 192 -4.566 -12.848 -0.269 1.00 0.00 C ATOM 402 CG1 VAL A 192 -4.302 -13.955 0.743 1.00 0.00 C ATOM 403 CG2 VAL A 192 -4.126 -13.300 -1.653 1.00 0.00 C ATOM 0 H VAL A 192 -5.449 -10.720 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 192 -6.607 -13.229 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 192 -3.990 -11.969 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 192 -3.243 -14.212 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 192 -4.582 -13.612 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 192 -4.891 -14.834 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 192 -3.071 -13.574 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 192 -4.718 -14.163 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 192 -4.273 -12.488 -2.365 1.00 0.00 H new ATOM 413 N THR A 193 -6.306 -11.267 1.826 1.00 0.00 N ATOM 414 CA THR A 193 -6.802 -11.063 3.180 1.00 0.00 C ATOM 415 C THR A 193 -8.333 -10.993 3.194 1.00 0.00 C ATOM 416 O THR A 193 -8.989 -11.495 4.107 1.00 0.00 O ATOM 417 CB THR A 193 -6.202 -9.783 3.794 1.00 0.00 C ATOM 418 OG1 THR A 193 -4.773 -9.842 3.705 1.00 0.00 O ATOM 419 CG2 THR A 193 -6.609 -9.625 5.251 1.00 0.00 C ATOM 0 H THR A 193 -5.732 -10.505 1.465 1.00 0.00 H new ATOM 0 HA THR A 193 -6.491 -11.915 3.784 1.00 0.00 H new ATOM 0 HB THR A 193 -6.582 -8.926 3.239 1.00 0.00 H new ATOM 0 HG1 THR A 193 -4.498 -9.720 2.772 1.00 0.00 H new ATOM 0 HG21 THR A 193 -6.170 -8.713 5.655 1.00 0.00 H new ATOM 0 HG22 THR A 193 -7.695 -9.566 5.321 1.00 0.00 H new ATOM 0 HG23 THR A 193 -6.254 -10.482 5.823 1.00 0.00 H new ATOM 427 N THR A 194 -8.901 -10.396 2.163 1.00 0.00 N ATOM 428 CA THR A 194 -10.344 -10.350 2.019 1.00 0.00 C ATOM 429 C THR A 194 -10.898 -11.726 1.627 1.00 0.00 C ATOM 430 O THR A 194 -12.076 -12.025 1.832 1.00 0.00 O ATOM 431 CB THR A 194 -10.746 -9.290 0.986 1.00 0.00 C ATOM 432 OG1 THR A 194 -10.204 -8.023 1.377 1.00 0.00 O ATOM 433 CG2 THR A 194 -12.254 -9.181 0.864 1.00 0.00 C ATOM 0 H THR A 194 -8.385 -9.936 1.413 1.00 0.00 H new ATOM 0 HA THR A 194 -10.775 -10.075 2.982 1.00 0.00 H new ATOM 0 HB THR A 194 -10.350 -9.587 0.015 1.00 0.00 H new ATOM 0 HG1 THR A 194 -9.804 -7.584 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 194 -12.505 -8.421 0.124 1.00 0.00 H new ATOM 0 HG22 THR A 194 -12.664 -10.141 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 194 -12.678 -8.902 1.829 1.00 0.00 H new ATOM 441 N THR A 195 -10.048 -12.569 1.070 1.00 0.00 N ATOM 442 CA THR A 195 -10.429 -13.942 0.807 1.00 0.00 C ATOM 443 C THR A 195 -10.356 -14.756 2.091 1.00 0.00 C ATOM 444 O THR A 195 -11.159 -15.639 2.322 1.00 0.00 O ATOM 445 CB THR A 195 -9.534 -14.602 -0.261 1.00 0.00 C ATOM 446 OG1 THR A 195 -9.501 -13.795 -1.446 1.00 0.00 O ATOM 447 CG2 THR A 195 -10.049 -15.994 -0.603 1.00 0.00 C ATOM 0 H THR A 195 -9.096 -12.328 0.793 1.00 0.00 H new ATOM 0 HA THR A 195 -11.450 -13.924 0.426 1.00 0.00 H new ATOM 0 HB THR A 195 -8.525 -14.689 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 195 -8.978 -12.984 -1.275 1.00 0.00 H new ATOM 0 HG21 THR A 195 -9.405 -16.445 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 195 -10.045 -16.614 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 195 -11.066 -15.921 -0.989 1.00 0.00 H new ATOM 455 N THR A 196 -9.408 -14.448 2.947 1.00 0.00 N ATOM 456 CA THR A 196 -9.249 -15.217 4.162 1.00 0.00 C ATOM 457 C THR A 196 -10.149 -14.692 5.281 1.00 0.00 C ATOM 458 O THR A 196 -10.324 -15.350 6.305 1.00 0.00 O ATOM 459 CB THR A 196 -7.777 -15.227 4.618 1.00 0.00 C ATOM 460 OG1 THR A 196 -7.278 -13.886 4.702 1.00 0.00 O ATOM 461 CG2 THR A 196 -6.920 -16.021 3.648 1.00 0.00 C ATOM 0 H THR A 196 -8.744 -13.683 2.829 1.00 0.00 H new ATOM 0 HA THR A 196 -9.551 -16.241 3.941 1.00 0.00 H new ATOM 0 HB THR A 196 -7.729 -15.697 5.600 1.00 0.00 H new ATOM 0 HG1 THR A 196 -8.019 -13.254 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.885 -16.015 3.989 1.00 0.00 H new ATOM 0 HG22 THR A 196 -7.281 -17.048 3.601 1.00 0.00 H new ATOM 0 HG23 THR A 196 -6.979 -15.570 2.657 1.00 0.00 H new ATOM 469 N LYS A 197 -10.723 -13.505 5.084 1.00 0.00 N ATOM 470 CA LYS A 197 -11.702 -12.969 6.028 1.00 0.00 C ATOM 471 C LYS A 197 -12.962 -13.835 6.028 1.00 0.00 C ATOM 472 O LYS A 197 -13.692 -13.895 7.016 1.00 0.00 O ATOM 473 CB LYS A 197 -12.058 -11.513 5.691 1.00 0.00 C ATOM 474 CG LYS A 197 -13.036 -11.349 4.535 1.00 0.00 C ATOM 475 CD LYS A 197 -13.290 -9.882 4.230 1.00 0.00 C ATOM 476 CE LYS A 197 -14.420 -9.687 3.224 1.00 0.00 C ATOM 477 NZ LYS A 197 -14.860 -8.267 3.180 1.00 0.00 N ATOM 0 H LYS A 197 -10.529 -12.901 4.286 1.00 0.00 H new ATOM 0 HA LYS A 197 -11.258 -12.986 7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -12.482 -11.042 6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.141 -10.975 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -12.640 -11.844 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -13.978 -11.840 4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -13.535 -9.358 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -12.378 -9.431 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -14.087 -9.998 2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -15.263 -10.324 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -15.809 -8.184 3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -14.192 -7.680 3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -14.887 -7.942 2.192 1.00 0.00 H new ATOM 491 N GLY A 198 -13.204 -14.502 4.904 1.00 0.00 N ATOM 492 CA GLY A 198 -14.340 -15.403 4.796 1.00 0.00 C ATOM 493 C GLY A 198 -14.716 -15.710 3.360 1.00 0.00 C ATOM 494 O GLY A 198 -15.883 -15.975 3.062 1.00 0.00 O ATOM 0 H GLY A 198 -12.632 -14.435 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 198 -14.109 -16.335 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 198 -15.197 -14.961 5.304 1.00 0.00 H new ATOM 498 N GLU A 199 -13.708 -15.691 2.495 1.00 0.00 N ATOM 499 CA GLU A 199 -13.838 -15.941 1.058 1.00 0.00 C ATOM 500 C GLU A 199 -15.119 -15.352 0.464 1.00 0.00 C ATOM 501 O GLU A 199 -15.947 -16.062 -0.111 1.00 0.00 O ATOM 502 CB GLU A 199 -13.743 -17.435 0.785 1.00 0.00 C ATOM 503 CG GLU A 199 -12.565 -18.107 1.467 1.00 0.00 C ATOM 504 CD GLU A 199 -12.576 -19.608 1.304 1.00 0.00 C ATOM 505 OE1 GLU A 199 -13.521 -20.253 1.797 1.00 0.00 O ATOM 506 OE2 GLU A 199 -11.626 -20.155 0.710 1.00 0.00 O ATOM 0 H GLU A 199 -12.748 -15.496 2.779 1.00 0.00 H new ATOM 0 HA GLU A 199 -13.014 -15.429 0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -14.664 -17.915 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -13.668 -17.595 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -11.637 -17.708 1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -12.576 -17.861 2.529 1.00 0.00 H new ATOM 513 N ASN A 200 -15.264 -14.048 0.610 1.00 0.00 N ATOM 514 CA ASN A 200 -16.412 -13.326 0.068 1.00 0.00 C ATOM 515 C ASN A 200 -15.959 -12.337 -0.955 1.00 0.00 C ATOM 516 O ASN A 200 -15.899 -12.691 -2.130 1.00 0.00 O ATOM 517 CB ASN A 200 -17.210 -12.631 1.179 1.00 0.00 C ATOM 518 CG ASN A 200 -18.420 -11.876 0.655 1.00 0.00 C ATOM 519 OD1 ASN A 200 -19.056 -12.291 -0.312 1.00 0.00 O ATOM 520 ND2 ASN A 200 -18.732 -10.751 1.277 1.00 0.00 N ATOM 0 H ASN A 200 -14.596 -13.457 1.104 1.00 0.00 H new ATOM 0 HA ASN A 200 -17.074 -14.048 -0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -17.539 -13.376 1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -16.557 -11.938 1.709 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -19.525 -10.195 0.958 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -18.180 -10.440 2.076 1.00 0.00 H new ATOM 527 N PHE A 201 -15.612 -11.119 -0.514 1.00 0.00 N ATOM 528 CA PHE A 201 -15.344 -10.010 -1.427 1.00 0.00 C ATOM 529 C PHE A 201 -16.422 -9.925 -2.494 1.00 0.00 C ATOM 530 O PHE A 201 -17.374 -10.701 -2.539 1.00 0.00 O ATOM 531 CB PHE A 201 -13.926 -10.079 -2.038 1.00 0.00 C ATOM 532 CG PHE A 201 -13.491 -11.403 -2.607 1.00 0.00 C ATOM 533 CD1 PHE A 201 -13.765 -11.737 -3.923 1.00 0.00 C ATOM 534 CD2 PHE A 201 -12.799 -12.314 -1.821 1.00 0.00 C ATOM 535 CE1 PHE A 201 -13.360 -12.948 -4.446 1.00 0.00 C ATOM 536 CE2 PHE A 201 -12.395 -13.528 -2.340 1.00 0.00 C ATOM 537 CZ PHE A 201 -12.675 -13.845 -3.652 1.00 0.00 C ATOM 0 H PHE A 201 -15.512 -10.882 0.473 1.00 0.00 H new ATOM 0 HA PHE A 201 -15.374 -9.089 -0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -13.861 -9.332 -2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -13.211 -9.790 -1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -14.303 -11.040 -4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -12.574 -12.071 -0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -13.579 -13.193 -5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -11.859 -14.230 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 201 -12.359 -14.794 -4.058 1.00 0.00 H new ATOM 547 N THR A 202 -16.316 -8.929 -3.292 1.00 0.00 N ATOM 548 CA THR A 202 -17.098 -8.803 -4.457 1.00 0.00 C ATOM 549 C THR A 202 -16.329 -7.803 -5.285 1.00 0.00 C ATOM 550 O THR A 202 -15.494 -7.122 -4.698 1.00 0.00 O ATOM 551 CB THR A 202 -18.541 -8.277 -4.198 1.00 0.00 C ATOM 552 OG1 THR A 202 -19.161 -8.981 -3.116 1.00 0.00 O ATOM 553 CG2 THR A 202 -19.405 -8.422 -5.442 1.00 0.00 C ATOM 0 H THR A 202 -15.664 -8.159 -3.146 1.00 0.00 H new ATOM 0 HA THR A 202 -17.245 -9.774 -4.931 1.00 0.00 H new ATOM 0 HB THR A 202 -18.456 -7.222 -3.937 1.00 0.00 H new ATOM 0 HG1 THR A 202 -18.767 -9.875 -3.039 1.00 0.00 H new ATOM 0 HG21 THR A 202 -20.407 -8.048 -5.234 1.00 0.00 H new ATOM 0 HG22 THR A 202 -18.966 -7.849 -6.259 1.00 0.00 H new ATOM 0 HG23 THR A 202 -19.462 -9.473 -5.725 1.00 0.00 H new ATOM 561 N GLU A 203 -16.536 -7.674 -6.583 1.00 0.00 N ATOM 562 CA GLU A 203 -15.775 -6.659 -7.312 1.00 0.00 C ATOM 563 C GLU A 203 -15.952 -5.288 -6.664 1.00 0.00 C ATOM 564 O GLU A 203 -15.056 -4.452 -6.716 1.00 0.00 O ATOM 565 CB GLU A 203 -16.143 -6.599 -8.783 1.00 0.00 C ATOM 566 CG GLU A 203 -15.458 -5.441 -9.507 1.00 0.00 C ATOM 567 CD GLU A 203 -16.085 -5.098 -10.838 1.00 0.00 C ATOM 568 OE1 GLU A 203 -15.928 -5.876 -11.796 1.00 0.00 O ATOM 569 OE2 GLU A 203 -16.727 -4.026 -10.932 1.00 0.00 O ATOM 0 H GLU A 203 -17.190 -8.226 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 203 -14.726 -6.950 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -15.867 -7.538 -9.263 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -17.224 -6.497 -8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -15.482 -4.559 -8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -14.409 -5.692 -9.664 1.00 0.00 H new ATOM 576 N THR A 204 -17.085 -5.093 -5.999 1.00 0.00 N ATOM 577 CA THR A 204 -17.321 -3.893 -5.218 1.00 0.00 C ATOM 578 C THR A 204 -16.245 -3.736 -4.158 1.00 0.00 C ATOM 579 O THR A 204 -15.572 -2.710 -4.074 1.00 0.00 O ATOM 580 CB THR A 204 -18.659 -4.000 -4.481 1.00 0.00 C ATOM 581 OG1 THR A 204 -19.690 -4.375 -5.404 1.00 0.00 O ATOM 582 CG2 THR A 204 -19.001 -2.678 -3.811 1.00 0.00 C ATOM 0 H THR A 204 -17.858 -5.759 -5.988 1.00 0.00 H new ATOM 0 HA THR A 204 -17.318 -3.045 -5.903 1.00 0.00 H new ATOM 0 HB THR A 204 -18.580 -4.765 -3.708 1.00 0.00 H new ATOM 0 HG1 THR A 204 -20.545 -4.444 -4.929 1.00 0.00 H new ATOM 0 HG21 THR A 204 -19.955 -2.770 -3.291 1.00 0.00 H new ATOM 0 HG22 THR A 204 -18.221 -2.420 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 204 -19.073 -1.895 -4.566 1.00 0.00 H new ATOM 590 N ASP A 205 -16.087 -4.785 -3.370 1.00 0.00 N ATOM 591 CA ASP A 205 -15.115 -4.808 -2.300 1.00 0.00 C ATOM 592 C ASP A 205 -13.722 -4.663 -2.879 1.00 0.00 C ATOM 593 O ASP A 205 -12.945 -3.855 -2.419 1.00 0.00 O ATOM 594 CB ASP A 205 -15.213 -6.129 -1.533 1.00 0.00 C ATOM 595 CG ASP A 205 -14.622 -6.071 -0.139 1.00 0.00 C ATOM 596 OD1 ASP A 205 -13.410 -5.830 -0.003 1.00 0.00 O ATOM 597 OD2 ASP A 205 -15.376 -6.292 0.829 1.00 0.00 O ATOM 0 H ASP A 205 -16.631 -5.643 -3.457 1.00 0.00 H new ATOM 0 HA ASP A 205 -15.316 -3.982 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -16.261 -6.420 -1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -14.704 -6.907 -2.101 1.00 0.00 H new ATOM 602 N ILE A 206 -13.458 -5.426 -3.932 1.00 0.00 N ATOM 603 CA ILE A 206 -12.121 -5.556 -4.505 1.00 0.00 C ATOM 604 C ILE A 206 -11.644 -4.289 -5.203 1.00 0.00 C ATOM 605 O ILE A 206 -10.491 -3.896 -5.047 1.00 0.00 O ATOM 606 CB ILE A 206 -12.078 -6.751 -5.470 1.00 0.00 C ATOM 607 CG1 ILE A 206 -12.568 -7.982 -4.718 1.00 0.00 C ATOM 608 CG2 ILE A 206 -10.661 -6.965 -5.971 1.00 0.00 C ATOM 609 CD1 ILE A 206 -13.317 -8.999 -5.538 1.00 0.00 C ATOM 0 H ILE A 206 -14.168 -5.976 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 206 -11.435 -5.727 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 206 -12.715 -6.564 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -11.707 -8.473 -4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -13.214 -7.653 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -10.641 -7.814 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -10.321 -6.071 -6.493 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -10.002 -7.164 -5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -13.617 -9.831 -4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -14.203 -8.536 -5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -12.673 -9.368 -6.337 1.00 0.00 H new ATOM 621 N LYS A 207 -12.512 -3.652 -5.968 1.00 0.00 N ATOM 622 CA LYS A 207 -12.161 -2.387 -6.594 1.00 0.00 C ATOM 623 C LYS A 207 -11.926 -1.356 -5.509 1.00 0.00 C ATOM 624 O LYS A 207 -10.932 -0.644 -5.533 1.00 0.00 O ATOM 625 CB LYS A 207 -13.249 -1.958 -7.596 1.00 0.00 C ATOM 626 CG LYS A 207 -14.546 -1.453 -6.975 1.00 0.00 C ATOM 627 CD LYS A 207 -15.724 -1.612 -7.933 1.00 0.00 C ATOM 628 CE LYS A 207 -15.427 -1.031 -9.306 1.00 0.00 C ATOM 629 NZ LYS A 207 -16.534 -1.283 -10.270 1.00 0.00 N ATOM 0 H LYS A 207 -13.455 -3.984 -6.170 1.00 0.00 H new ATOM 0 HA LYS A 207 -11.241 -2.491 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -12.842 -1.174 -8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -13.480 -2.806 -8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.748 -2.001 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -14.436 -0.403 -6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.969 -2.669 -8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -16.601 -1.119 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -15.261 0.043 -9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -14.505 -1.465 -9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -16.372 -0.731 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -16.566 -2.296 -10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -17.438 -0.998 -9.842 1.00 0.00 H new ATOM 643 N ALA A 208 -12.797 -1.343 -4.512 1.00 0.00 N ATOM 644 CA ALA A 208 -12.614 -0.475 -3.363 1.00 0.00 C ATOM 645 C ALA A 208 -11.318 -0.825 -2.629 1.00 0.00 C ATOM 646 O ALA A 208 -10.646 0.053 -2.083 1.00 0.00 O ATOM 647 CB ALA A 208 -13.811 -0.564 -2.431 1.00 0.00 C ATOM 0 H ALA A 208 -13.635 -1.923 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 208 -12.536 0.554 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -13.656 0.093 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -14.711 -0.259 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -13.926 -1.591 -2.083 1.00 0.00 H new ATOM 653 N MET A 209 -10.967 -2.114 -2.636 1.00 0.00 N ATOM 654 CA MET A 209 -9.706 -2.574 -2.068 1.00 0.00 C ATOM 655 C MET A 209 -8.557 -1.930 -2.806 1.00 0.00 C ATOM 656 O MET A 209 -7.721 -1.294 -2.198 1.00 0.00 O ATOM 657 CB MET A 209 -9.534 -4.098 -2.158 1.00 0.00 C ATOM 658 CG MET A 209 -10.520 -4.916 -1.341 1.00 0.00 C ATOM 659 SD MET A 209 -9.980 -6.627 -1.161 1.00 0.00 S ATOM 660 CE MET A 209 -11.389 -7.515 -1.812 1.00 0.00 C ATOM 0 H MET A 209 -11.544 -2.857 -3.031 1.00 0.00 H new ATOM 0 HA MET A 209 -9.715 -2.293 -1.015 1.00 0.00 H new ATOM 0 HB2 MET A 209 -9.620 -4.395 -3.203 1.00 0.00 H new ATOM 0 HB3 MET A 209 -8.524 -4.352 -1.837 1.00 0.00 H new ATOM 0 HG2 MET A 209 -10.637 -4.466 -0.355 1.00 0.00 H new ATOM 0 HG3 MET A 209 -11.498 -4.892 -1.821 1.00 0.00 H new ATOM 0 HE1 MET A 209 -11.330 -8.561 -1.512 1.00 0.00 H new ATOM 0 HE2 MET A 209 -12.307 -7.077 -1.422 1.00 0.00 H new ATOM 0 HE3 MET A 209 -11.389 -7.449 -2.900 1.00 0.00 H new ATOM 670 N GLU A 210 -8.548 -2.087 -4.130 1.00 0.00 N ATOM 671 CA GLU A 210 -7.488 -1.549 -4.979 1.00 0.00 C ATOM 672 C GLU A 210 -7.214 -0.080 -4.690 1.00 0.00 C ATOM 673 O GLU A 210 -6.068 0.362 -4.766 1.00 0.00 O ATOM 674 CB GLU A 210 -7.846 -1.718 -6.456 1.00 0.00 C ATOM 675 CG GLU A 210 -7.898 -3.163 -6.915 1.00 0.00 C ATOM 676 CD GLU A 210 -8.145 -3.286 -8.407 1.00 0.00 C ATOM 677 OE1 GLU A 210 -7.233 -2.944 -9.195 1.00 0.00 O ATOM 678 OE2 GLU A 210 -9.248 -3.718 -8.804 1.00 0.00 O ATOM 0 H GLU A 210 -9.274 -2.589 -4.642 1.00 0.00 H new ATOM 0 HA GLU A 210 -6.583 -2.113 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 210 -8.815 -1.254 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 210 -7.115 -1.181 -7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 210 -6.959 -3.656 -6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 210 -8.687 -3.685 -6.374 1.00 0.00 H new ATOM 685 N ARG A 211 -8.255 0.674 -4.355 1.00 0.00 N ATOM 686 CA ARG A 211 -8.083 2.093 -4.065 1.00 0.00 C ATOM 687 C ARG A 211 -7.276 2.260 -2.776 1.00 0.00 C ATOM 688 O ARG A 211 -6.260 2.981 -2.719 1.00 0.00 O ATOM 689 CB ARG A 211 -9.434 2.816 -3.909 1.00 0.00 C ATOM 690 CG ARG A 211 -10.611 2.276 -4.735 1.00 0.00 C ATOM 691 CD ARG A 211 -10.275 1.976 -6.203 1.00 0.00 C ATOM 692 NE ARG A 211 -9.294 2.901 -6.776 1.00 0.00 N ATOM 693 CZ ARG A 211 -8.792 2.778 -8.005 1.00 0.00 C ATOM 694 NH1 ARG A 211 -9.272 1.864 -8.837 1.00 0.00 N ATOM 695 NH2 ARG A 211 -7.825 3.591 -8.411 1.00 0.00 N ATOM 0 H ARG A 211 -9.213 0.333 -4.278 1.00 0.00 H new ATOM 0 HA ARG A 211 -7.554 2.539 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -9.716 2.785 -2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -9.290 3.865 -4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -10.979 1.363 -4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -11.424 3.001 -4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -9.892 0.958 -6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -11.190 2.017 -6.793 1.00 0.00 H new ATOM 0 HE ARG A 211 -8.977 3.683 -6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -10.030 1.250 -8.538 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -8.884 1.775 -9.776 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -7.466 4.310 -7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -7.441 3.497 -9.351 1.00 0.00 H new ATOM 709 N VAL A 212 -7.731 1.569 -1.744 1.00 0.00 N ATOM 710 CA VAL A 212 -7.067 1.581 -0.448 1.00 0.00 C ATOM 711 C VAL A 212 -5.665 1.014 -0.573 1.00 0.00 C ATOM 712 O VAL A 212 -4.746 1.470 0.081 1.00 0.00 O ATOM 713 CB VAL A 212 -7.855 0.756 0.591 1.00 0.00 C ATOM 714 CG1 VAL A 212 -7.287 0.948 1.992 1.00 0.00 C ATOM 715 CG2 VAL A 212 -9.324 1.123 0.541 1.00 0.00 C ATOM 0 H VAL A 212 -8.567 0.986 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 212 -7.019 2.616 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 212 -7.754 -0.300 0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 212 -7.863 0.355 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 212 -6.246 0.626 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 212 -7.346 2.001 2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 212 -9.871 0.535 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 212 -9.442 2.184 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 212 -9.717 0.915 -0.454 1.00 0.00 H new ATOM 725 N VAL A 213 -5.531 0.026 -1.435 1.00 0.00 N ATOM 726 CA VAL A 213 -4.257 -0.619 -1.722 1.00 0.00 C ATOM 727 C VAL A 213 -3.239 0.366 -2.279 1.00 0.00 C ATOM 728 O VAL A 213 -2.066 0.319 -1.901 1.00 0.00 O ATOM 729 CB VAL A 213 -4.442 -1.777 -2.718 1.00 0.00 C ATOM 730 CG1 VAL A 213 -3.112 -2.212 -3.286 1.00 0.00 C ATOM 731 CG2 VAL A 213 -5.136 -2.948 -2.047 1.00 0.00 C ATOM 0 H VAL A 213 -6.312 -0.360 -1.965 1.00 0.00 H new ATOM 0 HA VAL A 213 -3.879 -1.010 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 213 -5.067 -1.424 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -3.267 -3.032 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -2.646 -1.374 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -2.462 -2.545 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -5.259 -3.758 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -4.534 -3.296 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -6.115 -2.632 -1.685 1.00 0.00 H new ATOM 741 N GLU A 214 -3.673 1.251 -3.174 1.00 0.00 N ATOM 742 CA GLU A 214 -2.781 2.280 -3.693 1.00 0.00 C ATOM 743 C GLU A 214 -2.180 3.040 -2.526 1.00 0.00 C ATOM 744 O GLU A 214 -0.966 3.204 -2.430 1.00 0.00 O ATOM 745 CB GLU A 214 -3.513 3.262 -4.608 1.00 0.00 C ATOM 746 CG GLU A 214 -4.266 2.621 -5.758 1.00 0.00 C ATOM 747 CD GLU A 214 -4.979 3.653 -6.608 1.00 0.00 C ATOM 748 OE1 GLU A 214 -6.060 4.125 -6.194 1.00 0.00 O ATOM 749 OE2 GLU A 214 -4.449 4.019 -7.676 1.00 0.00 O ATOM 0 H GLU A 214 -4.621 1.276 -3.549 1.00 0.00 H new ATOM 0 HA GLU A 214 -2.005 1.791 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 214 -4.217 3.839 -4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 214 -2.788 3.967 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 214 -3.570 2.057 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 214 -4.992 1.909 -5.365 1.00 0.00 H new ATOM 756 N GLN A 215 -3.044 3.467 -1.617 1.00 0.00 N ATOM 757 CA GLN A 215 -2.600 4.167 -0.419 1.00 0.00 C ATOM 758 C GLN A 215 -1.875 3.233 0.549 1.00 0.00 C ATOM 759 O GLN A 215 -1.039 3.680 1.311 1.00 0.00 O ATOM 760 CB GLN A 215 -3.779 4.854 0.264 1.00 0.00 C ATOM 761 CG GLN A 215 -4.294 6.052 -0.507 1.00 0.00 C ATOM 762 CD GLN A 215 -3.324 7.223 -0.495 1.00 0.00 C ATOM 763 OE1 GLN A 215 -3.390 8.081 0.384 1.00 0.00 O ATOM 764 NE2 GLN A 215 -2.416 7.265 -1.459 1.00 0.00 N ATOM 0 H GLN A 215 -4.054 3.342 -1.685 1.00 0.00 H new ATOM 0 HA GLN A 215 -1.884 4.929 -0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -4.588 4.135 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -3.478 5.173 1.262 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -4.488 5.758 -1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -5.246 6.370 -0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -2.393 6.534 -2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -1.740 8.028 -1.490 1.00 0.00 H new ATOM 773 N MET A 216 -2.200 1.947 0.523 1.00 0.00 N ATOM 774 CA MET A 216 -1.525 0.967 1.373 1.00 0.00 C ATOM 775 C MET A 216 -0.055 0.868 0.992 1.00 0.00 C ATOM 776 O MET A 216 0.832 0.990 1.837 1.00 0.00 O ATOM 777 CB MET A 216 -2.201 -0.415 1.280 1.00 0.00 C ATOM 778 CG MET A 216 -1.508 -1.488 2.115 1.00 0.00 C ATOM 779 SD MET A 216 -2.545 -2.929 2.455 1.00 0.00 S ATOM 780 CE MET A 216 -2.504 -3.804 0.892 1.00 0.00 C ATOM 0 H MET A 216 -2.926 1.555 -0.076 1.00 0.00 H new ATOM 0 HA MET A 216 -1.601 1.305 2.407 1.00 0.00 H new ATOM 0 HB2 MET A 216 -3.238 -0.326 1.605 1.00 0.00 H new ATOM 0 HB3 MET A 216 -2.219 -0.732 0.237 1.00 0.00 H new ATOM 0 HG2 MET A 216 -0.607 -1.815 1.595 1.00 0.00 H new ATOM 0 HG3 MET A 216 -1.189 -1.050 3.061 1.00 0.00 H new ATOM 0 HE1 MET A 216 -3.174 -4.663 0.938 1.00 0.00 H new ATOM 0 HE2 MET A 216 -2.825 -3.136 0.093 1.00 0.00 H new ATOM 0 HE3 MET A 216 -1.488 -4.146 0.693 1.00 0.00 H new ATOM 790 N CYS A 217 0.187 0.682 -0.289 1.00 0.00 N ATOM 791 CA CYS A 217 1.541 0.600 -0.818 1.00 0.00 C ATOM 792 C CYS A 217 2.258 1.941 -0.696 1.00 0.00 C ATOM 793 O CYS A 217 3.384 2.022 -0.206 1.00 0.00 O ATOM 794 CB CYS A 217 1.504 0.175 -2.281 1.00 0.00 C ATOM 795 SG CYS A 217 3.108 0.325 -3.122 1.00 0.00 S ATOM 0 H CYS A 217 -0.543 0.583 -0.994 1.00 0.00 H new ATOM 0 HA CYS A 217 2.088 -0.141 -0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 217 1.166 -0.860 -2.342 1.00 0.00 H new ATOM 0 HB3 CYS A 217 0.768 0.782 -2.809 1.00 0.00 H new ATOM 800 N ILE A 218 1.584 2.991 -1.140 1.00 0.00 N ATOM 801 CA ILE A 218 2.139 4.330 -1.120 1.00 0.00 C ATOM 802 C ILE A 218 2.427 4.770 0.307 1.00 0.00 C ATOM 803 O ILE A 218 3.433 5.407 0.561 1.00 0.00 O ATOM 804 CB ILE A 218 1.201 5.319 -1.854 1.00 0.00 C ATOM 805 CG1 ILE A 218 1.267 5.039 -3.354 1.00 0.00 C ATOM 806 CG2 ILE A 218 1.559 6.765 -1.574 1.00 0.00 C ATOM 807 CD1 ILE A 218 0.357 5.906 -4.196 1.00 0.00 C ATOM 0 H ILE A 218 0.640 2.936 -1.523 1.00 0.00 H new ATOM 0 HA ILE A 218 3.089 4.325 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 218 0.187 5.168 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 218 2.294 5.178 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 218 1.013 3.993 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 218 0.873 7.420 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 218 1.483 6.958 -0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 218 2.579 6.958 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 218 0.469 5.638 -5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 218 -0.678 5.751 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 218 0.623 6.954 -4.058 1.00 0.00 H new ATOM 819 N THR A 219 1.571 4.396 1.243 1.00 0.00 N ATOM 820 CA THR A 219 1.855 4.628 2.656 1.00 0.00 C ATOM 821 C THR A 219 3.156 3.937 3.075 1.00 0.00 C ATOM 822 O THR A 219 3.970 4.513 3.801 1.00 0.00 O ATOM 823 CB THR A 219 0.688 4.162 3.557 1.00 0.00 C ATOM 824 OG1 THR A 219 -0.400 5.091 3.464 1.00 0.00 O ATOM 825 CG2 THR A 219 1.111 4.015 5.010 1.00 0.00 C ATOM 0 H THR A 219 0.681 3.934 1.057 1.00 0.00 H new ATOM 0 HA THR A 219 1.973 5.704 2.788 1.00 0.00 H new ATOM 0 HB THR A 219 0.373 3.181 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.948 4.875 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.259 3.686 5.605 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.911 3.278 5.083 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.466 4.975 5.384 1.00 0.00 H new ATOM 833 N GLN A 220 3.363 2.719 2.596 1.00 0.00 N ATOM 834 CA GLN A 220 4.596 1.997 2.881 1.00 0.00 C ATOM 835 C GLN A 220 5.793 2.724 2.281 1.00 0.00 C ATOM 836 O GLN A 220 6.868 2.775 2.884 1.00 0.00 O ATOM 837 CB GLN A 220 4.529 0.566 2.358 1.00 0.00 C ATOM 838 CG GLN A 220 3.506 -0.304 3.074 1.00 0.00 C ATOM 839 CD GLN A 220 3.853 -0.600 4.527 1.00 0.00 C ATOM 840 OE1 GLN A 220 3.531 -1.668 5.039 1.00 0.00 O ATOM 841 NE2 GLN A 220 4.486 0.339 5.212 1.00 0.00 N ATOM 0 H GLN A 220 2.698 2.212 2.012 1.00 0.00 H new ATOM 0 HA GLN A 220 4.717 1.957 3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 220 4.291 0.589 1.294 1.00 0.00 H new ATOM 0 HB3 GLN A 220 5.513 0.107 2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 220 2.535 0.189 3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 220 3.406 -1.247 2.536 1.00 0.00 H new ATOM 0 HE21 GLN A 220 4.741 1.217 4.759 1.00 0.00 H new ATOM 0 HE22 GLN A 220 4.719 0.185 6.193 1.00 0.00 H new ATOM 850 N TYR A 221 5.602 3.304 1.100 1.00 0.00 N ATOM 851 CA TYR A 221 6.667 4.067 0.459 1.00 0.00 C ATOM 852 C TYR A 221 6.901 5.392 1.191 1.00 0.00 C ATOM 853 O TYR A 221 8.034 5.873 1.278 1.00 0.00 O ATOM 854 CB TYR A 221 6.350 4.279 -1.031 1.00 0.00 C ATOM 855 CG TYR A 221 6.290 5.722 -1.497 1.00 0.00 C ATOM 856 CD1 TYR A 221 7.451 6.421 -1.799 1.00 0.00 C ATOM 857 CD2 TYR A 221 5.075 6.377 -1.648 1.00 0.00 C ATOM 858 CE1 TYR A 221 7.402 7.731 -2.232 1.00 0.00 C ATOM 859 CE2 TYR A 221 5.016 7.687 -2.082 1.00 0.00 C ATOM 860 CZ TYR A 221 6.183 8.362 -2.372 1.00 0.00 C ATOM 861 OH TYR A 221 6.133 9.665 -2.814 1.00 0.00 O ATOM 0 H TYR A 221 4.730 3.261 0.573 1.00 0.00 H new ATOM 0 HA TYR A 221 7.595 3.499 0.520 1.00 0.00 H new ATOM 0 HB2 TYR A 221 7.104 3.758 -1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 221 5.392 3.807 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 221 8.408 5.932 -1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 221 4.159 5.852 -1.422 1.00 0.00 H new ATOM 0 HE1 TYR A 221 8.315 8.260 -2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 221 4.061 8.180 -2.194 1.00 0.00 H new ATOM 0 HH TYR A 221 5.199 9.960 -2.858 1.00 0.00 H new ATOM 871 N GLN A 222 5.832 5.972 1.725 1.00 0.00 N ATOM 872 CA GLN A 222 5.943 7.189 2.516 1.00 0.00 C ATOM 873 C GLN A 222 6.718 6.906 3.794 1.00 0.00 C ATOM 874 O GLN A 222 7.470 7.750 4.273 1.00 0.00 O ATOM 875 CB GLN A 222 4.566 7.768 2.859 1.00 0.00 C ATOM 876 CG GLN A 222 3.715 8.093 1.641 1.00 0.00 C ATOM 877 CD GLN A 222 2.498 8.924 1.985 1.00 0.00 C ATOM 878 OE1 GLN A 222 2.544 10.152 1.952 1.00 0.00 O ATOM 879 NE2 GLN A 222 1.403 8.262 2.320 1.00 0.00 N ATOM 0 H GLN A 222 4.880 5.619 1.624 1.00 0.00 H new ATOM 0 HA GLN A 222 6.477 7.928 1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 222 4.029 7.056 3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 222 4.700 8.675 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 222 4.322 8.629 0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 222 3.394 7.165 1.168 1.00 0.00 H new ATOM 0 HE21 GLN A 222 1.408 7.242 2.335 1.00 0.00 H new ATOM 0 HE22 GLN A 222 0.554 8.771 2.564 1.00 0.00 H new ATOM 888 N ARG A 223 6.538 5.704 4.336 1.00 0.00 N ATOM 889 CA ARG A 223 7.268 5.284 5.525 1.00 0.00 C ATOM 890 C ARG A 223 8.757 5.170 5.228 1.00 0.00 C ATOM 891 O ARG A 223 9.588 5.506 6.067 1.00 0.00 O ATOM 892 CB ARG A 223 6.728 3.951 6.064 1.00 0.00 C ATOM 893 CG ARG A 223 7.467 3.452 7.301 1.00 0.00 C ATOM 894 CD ARG A 223 8.495 2.379 6.962 1.00 0.00 C ATOM 895 NE ARG A 223 7.875 1.147 6.469 1.00 0.00 N ATOM 896 CZ ARG A 223 8.437 0.336 5.572 1.00 0.00 C ATOM 897 NH1 ARG A 223 9.643 0.608 5.084 1.00 0.00 N ATOM 898 NH2 ARG A 223 7.799 -0.758 5.181 1.00 0.00 N ATOM 0 H ARG A 223 5.892 5.005 3.969 1.00 0.00 H new ATOM 0 HA ARG A 223 7.122 6.045 6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 223 5.671 4.066 6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 223 6.797 3.197 5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 223 7.966 4.290 7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 223 6.748 3.051 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 223 9.182 2.763 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 223 9.088 2.155 7.849 1.00 0.00 H new ATOM 0 HE ARG A 223 6.957 0.894 6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 223 10.143 1.441 5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 223 10.068 -0.016 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 223 6.880 -0.978 5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 223 8.227 -1.380 4.495 1.00 0.00 H new ATOM 912 N GLU A 224 9.096 4.706 4.035 1.00 0.00 N ATOM 913 CA GLU A 224 10.494 4.599 3.654 1.00 0.00 C ATOM 914 C GLU A 224 11.091 5.978 3.469 1.00 0.00 C ATOM 915 O GLU A 224 12.138 6.304 4.020 1.00 0.00 O ATOM 916 CB GLU A 224 10.671 3.845 2.345 1.00 0.00 C ATOM 917 CG GLU A 224 12.016 3.175 2.269 1.00 0.00 C ATOM 918 CD GLU A 224 12.045 1.878 3.050 1.00 0.00 C ATOM 919 OE1 GLU A 224 11.392 0.904 2.611 1.00 0.00 O ATOM 920 OE2 GLU A 224 12.689 1.839 4.120 1.00 0.00 O ATOM 0 H GLU A 224 8.432 4.402 3.323 1.00 0.00 H new ATOM 0 HA GLU A 224 10.996 4.056 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 224 9.885 3.096 2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 224 10.560 4.535 1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 224 12.265 2.977 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 224 12.780 3.849 2.656 1.00 0.00 H new ATOM 927 N SER A 225 10.417 6.788 2.682 1.00 0.00 N ATOM 928 CA SER A 225 10.901 8.114 2.385 1.00 0.00 C ATOM 929 C SER A 225 10.983 8.962 3.651 1.00 0.00 C ATOM 930 O SER A 225 11.861 9.810 3.771 1.00 0.00 O ATOM 931 CB SER A 225 10.013 8.766 1.330 1.00 0.00 C ATOM 932 OG SER A 225 8.647 8.557 1.619 1.00 0.00 O ATOM 0 H SER A 225 9.531 6.549 2.237 1.00 0.00 H new ATOM 0 HA SER A 225 11.911 8.039 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 225 10.220 9.835 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 225 10.248 8.355 0.348 1.00 0.00 H new ATOM 0 HG SER A 225 8.394 7.646 1.362 1.00 0.00 H new ATOM 938 N GLN A 226 10.065 8.745 4.590 1.00 0.00 N ATOM 939 CA GLN A 226 10.143 9.413 5.884 1.00 0.00 C ATOM 940 C GLN A 226 11.284 8.832 6.710 1.00 0.00 C ATOM 941 O GLN A 226 11.918 9.538 7.487 1.00 0.00 O ATOM 942 CB GLN A 226 8.806 9.339 6.645 1.00 0.00 C ATOM 943 CG GLN A 226 8.536 8.017 7.348 1.00 0.00 C ATOM 944 CD GLN A 226 8.777 8.078 8.847 1.00 0.00 C ATOM 945 OE1 GLN A 226 7.867 8.375 9.617 1.00 0.00 O ATOM 946 NE2 GLN A 226 10.003 7.805 9.273 1.00 0.00 N ATOM 0 H GLN A 226 9.267 8.119 4.480 1.00 0.00 H new ATOM 0 HA GLN A 226 10.348 10.469 5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 226 8.783 10.138 7.386 1.00 0.00 H new ATOM 0 HB3 GLN A 226 7.995 9.532 5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 226 7.504 7.719 7.164 1.00 0.00 H new ATOM 0 HG3 GLN A 226 9.173 7.246 6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 226 10.733 7.562 8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 226 10.216 7.838 10.270 1.00 0.00 H new ATOM 955 N ALA A 227 11.533 7.535 6.535 1.00 0.00 N ATOM 956 CA ALA A 227 12.598 6.844 7.252 1.00 0.00 C ATOM 957 C ALA A 227 13.953 7.514 7.029 1.00 0.00 C ATOM 958 O ALA A 227 14.659 7.810 7.990 1.00 0.00 O ATOM 959 CB ALA A 227 12.640 5.372 6.852 1.00 0.00 C ATOM 0 H ALA A 227 11.005 6.939 5.897 1.00 0.00 H new ATOM 0 HA ALA A 227 12.380 6.906 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 227 13.440 4.870 7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 227 11.687 4.902 7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 227 12.823 5.291 5.781 1.00 0.00 H new ATOM 965 N TYR A 228 14.331 7.750 5.776 1.00 0.00 N ATOM 966 CA TYR A 228 15.584 8.450 5.510 1.00 0.00 C ATOM 967 C TYR A 228 15.371 9.964 5.440 1.00 0.00 C ATOM 968 O TYR A 228 16.323 10.737 5.361 1.00 0.00 O ATOM 969 CB TYR A 228 16.250 7.935 4.227 1.00 0.00 C ATOM 970 CG TYR A 228 17.598 8.566 3.937 1.00 0.00 C ATOM 971 CD1 TYR A 228 18.647 8.453 4.840 1.00 0.00 C ATOM 972 CD2 TYR A 228 17.813 9.289 2.770 1.00 0.00 C ATOM 973 CE1 TYR A 228 19.873 9.042 4.585 1.00 0.00 C ATOM 974 CE2 TYR A 228 19.034 9.881 2.510 1.00 0.00 C ATOM 975 CZ TYR A 228 20.060 9.756 3.418 1.00 0.00 C ATOM 976 OH TYR A 228 21.277 10.350 3.161 1.00 0.00 O ATOM 0 H TYR A 228 13.803 7.475 4.948 1.00 0.00 H new ATOM 0 HA TYR A 228 16.255 8.243 6.343 1.00 0.00 H new ATOM 0 HB2 TYR A 228 16.375 6.855 4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 228 15.584 8.121 3.384 1.00 0.00 H new ATOM 0 HD1 TYR A 228 18.504 7.897 5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 228 17.011 9.390 2.053 1.00 0.00 H new ATOM 0 HE1 TYR A 228 20.680 8.944 5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 228 19.182 10.440 1.598 1.00 0.00 H new ATOM 0 HH TYR A 228 21.240 10.812 2.297 1.00 0.00 H new ATOM 986 N TYR A 229 14.104 10.366 5.469 1.00 0.00 N ATOM 987 CA TYR A 229 13.713 11.777 5.445 1.00 0.00 C ATOM 988 C TYR A 229 14.004 12.404 4.087 1.00 0.00 C ATOM 989 O TYR A 229 14.513 13.517 3.983 1.00 0.00 O ATOM 990 CB TYR A 229 14.373 12.565 6.584 1.00 0.00 C ATOM 991 CG TYR A 229 13.865 12.155 7.948 1.00 0.00 C ATOM 992 CD1 TYR A 229 12.635 12.602 8.410 1.00 0.00 C ATOM 993 CD2 TYR A 229 14.608 11.313 8.769 1.00 0.00 C ATOM 994 CE1 TYR A 229 12.156 12.220 9.648 1.00 0.00 C ATOM 995 CE2 TYR A 229 14.136 10.930 10.009 1.00 0.00 C ATOM 996 CZ TYR A 229 12.909 11.385 10.443 1.00 0.00 C ATOM 997 OH TYR A 229 12.433 11.003 11.676 1.00 0.00 O ATOM 0 H TYR A 229 13.314 9.722 5.510 1.00 0.00 H new ATOM 0 HA TYR A 229 12.636 11.824 5.606 1.00 0.00 H new ATOM 0 HB2 TYR A 229 15.452 12.419 6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 229 14.190 13.629 6.438 1.00 0.00 H new ATOM 0 HD1 TYR A 229 12.042 13.260 7.791 1.00 0.00 H new ATOM 0 HD2 TYR A 229 15.569 10.953 8.431 1.00 0.00 H new ATOM 0 HE1 TYR A 229 11.195 12.575 9.991 1.00 0.00 H new ATOM 0 HE2 TYR A 229 14.725 10.277 10.636 1.00 0.00 H new ATOM 0 HH TYR A 229 13.084 10.413 12.109 1.00 0.00 H new