USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 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 Set 1.1: A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 192 THR OG1 : rot -23:sc= 0.718 USER MOD Single : A 195 HIS :FLIP no HD1:sc= -0.603 F(o=-1.4,f=-0.6) USER MOD Single : A 203 GLN : amide:sc= -0.289 K(o=-0.29,f=-2.8!) USER MOD Single : A 205 TYR OH : rot -118:sc= 0.52 USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 214 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 227 TYR OH : rot 63:sc= 0.408 USER MOD Single : A 230 SER OG : rot -114:sc= 1.91 USER MOD Single : A 231 ASN : amide:sc= -1.02 K(o=-1,f=-5.7!) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.233 -0.501 -5.309 1.00 0.00 N ATOM 37 CA ILE A 182 -3.074 -0.446 -3.861 1.00 0.00 C ATOM 38 C ILE A 182 -1.623 -0.728 -3.473 1.00 0.00 C ATOM 39 O ILE A 182 -1.219 -1.881 -3.306 1.00 0.00 O ATOM 40 CB ILE A 182 -4.010 -1.444 -3.138 1.00 0.00 C ATOM 41 CG1 ILE A 182 -4.214 -2.706 -3.980 1.00 0.00 C ATOM 42 CG2 ILE A 182 -5.352 -0.796 -2.812 1.00 0.00 C ATOM 43 CD1 ILE A 182 -5.139 -3.708 -3.329 1.00 0.00 C ATOM 0 HA ILE A 182 -3.347 0.561 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 182 -3.534 -1.730 -2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -4.618 -2.426 -4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -3.247 -3.176 -4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.991 -1.518 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.192 0.066 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.833 -0.471 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -5.243 -4.580 -3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -4.725 -4.015 -2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.117 -3.253 -3.174 1.00 0.00 H new ATOM 55 N VAL A 183 -0.841 0.331 -3.339 1.00 0.00 N ATOM 56 CA VAL A 183 0.562 0.197 -2.978 1.00 0.00 C ATOM 57 C VAL A 183 0.754 0.286 -1.470 1.00 0.00 C ATOM 58 O VAL A 183 0.939 1.372 -0.919 1.00 0.00 O ATOM 59 CB VAL A 183 1.435 1.265 -3.664 1.00 0.00 C ATOM 60 CG1 VAL A 183 2.077 0.729 -4.924 1.00 0.00 C ATOM 61 CG2 VAL A 183 0.626 2.504 -3.982 1.00 0.00 C ATOM 0 H VAL A 183 -1.153 1.293 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 183 0.879 -0.787 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 183 2.227 1.533 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 183 2.686 1.509 -5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 183 2.707 -0.125 -4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 183 1.301 0.416 -5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 183 1.266 3.242 -4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 183 -0.194 2.241 -4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 183 0.223 2.922 -3.060 1.00 0.00 H new ATOM 71 N VAL A 184 0.718 -0.856 -0.806 1.00 0.00 N ATOM 72 CA VAL A 184 0.892 -0.910 0.634 1.00 0.00 C ATOM 73 C VAL A 184 2.372 -0.820 0.985 1.00 0.00 C ATOM 74 O VAL A 184 3.104 -1.807 0.883 1.00 0.00 O ATOM 75 CB VAL A 184 0.308 -2.215 1.210 1.00 0.00 C ATOM 76 CG1 VAL A 184 0.249 -2.149 2.723 1.00 0.00 C ATOM 77 CG2 VAL A 184 -1.077 -2.485 0.639 1.00 0.00 C ATOM 0 H VAL A 184 0.569 -1.764 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 184 0.360 -0.065 1.071 1.00 0.00 H new ATOM 0 HB VAL A 184 0.965 -3.036 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -0.166 -3.079 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 184 1.254 -2.006 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -0.383 -1.315 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -1.470 -3.411 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -1.743 -1.660 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -1.012 -2.578 -0.445 1.00 0.00 H new ATOM 87 N ALA A 185 2.808 0.373 1.381 1.00 0.00 N ATOM 88 CA ALA A 185 4.202 0.602 1.737 1.00 0.00 C ATOM 89 C ALA A 185 4.660 -0.425 2.766 1.00 0.00 C ATOM 90 O ALA A 185 4.044 -0.587 3.821 1.00 0.00 O ATOM 91 CB ALA A 185 4.396 2.013 2.269 1.00 0.00 C ATOM 0 H ALA A 185 2.213 1.197 1.463 1.00 0.00 H new ATOM 0 HA ALA A 185 4.810 0.490 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 185 5.444 2.163 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.105 2.733 1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 185 3.778 2.156 3.156 1.00 0.00 H new ATOM 97 N MET A 186 5.723 -1.140 2.431 1.00 0.00 N ATOM 98 CA MET A 186 6.257 -2.178 3.293 1.00 0.00 C ATOM 99 C MET A 186 7.198 -1.600 4.342 1.00 0.00 C ATOM 100 O MET A 186 6.969 -1.750 5.543 1.00 0.00 O ATOM 101 CB MET A 186 6.998 -3.203 2.444 1.00 0.00 C ATOM 102 CG MET A 186 7.364 -4.470 3.189 1.00 0.00 C ATOM 103 SD MET A 186 8.251 -5.650 2.153 1.00 0.00 S ATOM 104 CE MET A 186 8.422 -7.032 3.276 1.00 0.00 C ATOM 0 H MET A 186 6.236 -1.017 1.558 1.00 0.00 H new ATOM 0 HA MET A 186 5.427 -2.654 3.815 1.00 0.00 H new ATOM 0 HB2 MET A 186 6.379 -3.464 1.586 1.00 0.00 H new ATOM 0 HB3 MET A 186 7.908 -2.747 2.054 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.979 -4.215 4.052 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.457 -4.938 3.571 1.00 0.00 H new ATOM 0 HE1 MET A 186 8.952 -7.843 2.777 1.00 0.00 H new ATOM 0 HE2 MET A 186 8.984 -6.718 4.156 1.00 0.00 H new ATOM 0 HE3 MET A 186 7.434 -7.378 3.580 1.00 0.00 H new ATOM 114 N TYR A 187 8.263 -0.950 3.889 1.00 0.00 N ATOM 115 CA TYR A 187 9.239 -0.368 4.798 1.00 0.00 C ATOM 116 C TYR A 187 9.199 1.152 4.751 1.00 0.00 C ATOM 117 O TYR A 187 8.483 1.739 3.946 1.00 0.00 O ATOM 118 CB TYR A 187 10.646 -0.873 4.465 1.00 0.00 C ATOM 119 CG TYR A 187 10.849 -2.335 4.783 1.00 0.00 C ATOM 120 CD1 TYR A 187 10.713 -2.805 6.081 1.00 0.00 C ATOM 121 CD2 TYR A 187 11.176 -3.243 3.786 1.00 0.00 C ATOM 122 CE1 TYR A 187 10.895 -4.139 6.376 1.00 0.00 C ATOM 123 CE2 TYR A 187 11.358 -4.582 4.075 1.00 0.00 C ATOM 124 CZ TYR A 187 11.218 -5.023 5.374 1.00 0.00 C ATOM 125 OH TYR A 187 11.400 -6.351 5.676 1.00 0.00 O ATOM 0 H TYR A 187 8.471 -0.814 2.900 1.00 0.00 H new ATOM 0 HA TYR A 187 8.982 -0.680 5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 187 10.842 -0.709 3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.376 -0.283 5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 187 10.461 -2.115 6.873 1.00 0.00 H new ATOM 0 HD2 TYR A 187 11.290 -2.898 2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 187 10.784 -4.489 7.392 1.00 0.00 H new ATOM 0 HE2 TYR A 187 11.608 -5.279 3.289 1.00 0.00 H new ATOM 0 HH TYR A 187 11.622 -6.845 4.859 1.00 0.00 H new ATOM 135 N ASP A 188 9.968 1.779 5.630 1.00 0.00 N ATOM 136 CA ASP A 188 10.023 3.231 5.709 1.00 0.00 C ATOM 137 C ASP A 188 11.137 3.797 4.840 1.00 0.00 C ATOM 138 O ASP A 188 12.157 3.146 4.608 1.00 0.00 O ATOM 139 CB ASP A 188 10.213 3.680 7.163 1.00 0.00 C ATOM 140 CG ASP A 188 11.470 3.124 7.793 1.00 0.00 C ATOM 141 OD1 ASP A 188 11.580 1.888 7.919 1.00 0.00 O ATOM 142 OD2 ASP A 188 12.349 3.921 8.162 1.00 0.00 O ATOM 0 H ASP A 188 10.566 1.300 6.303 1.00 0.00 H new ATOM 0 HA ASP A 188 9.075 3.617 5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 188 10.246 4.769 7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 188 9.350 3.367 7.750 1.00 0.00 H new ATOM 147 N PHE A 189 10.923 5.020 4.371 1.00 0.00 N ATOM 148 CA PHE A 189 11.887 5.717 3.529 1.00 0.00 C ATOM 149 C PHE A 189 11.695 7.221 3.683 1.00 0.00 C ATOM 150 O PHE A 189 10.612 7.681 4.044 1.00 0.00 O ATOM 151 CB PHE A 189 11.733 5.288 2.062 1.00 0.00 C ATOM 152 CG PHE A 189 12.686 5.961 1.113 1.00 0.00 C ATOM 153 CD1 PHE A 189 14.056 5.881 1.307 1.00 0.00 C ATOM 154 CD2 PHE A 189 12.208 6.667 0.020 1.00 0.00 C ATOM 155 CE1 PHE A 189 14.929 6.492 0.430 1.00 0.00 C ATOM 156 CE2 PHE A 189 13.077 7.282 -0.860 1.00 0.00 C ATOM 157 CZ PHE A 189 14.441 7.195 -0.655 1.00 0.00 C ATOM 0 H PHE A 189 10.077 5.556 4.563 1.00 0.00 H new ATOM 0 HA PHE A 189 12.897 5.456 3.843 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.874 4.209 1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.712 5.496 1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 189 14.445 5.335 2.154 1.00 0.00 H new ATOM 0 HD2 PHE A 189 11.143 6.737 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 189 15.994 6.421 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 189 12.691 7.830 -1.707 1.00 0.00 H new ATOM 0 HZ PHE A 189 15.123 7.675 -1.341 1.00 0.00 H new ATOM 167 N GLN A 190 12.746 7.980 3.433 1.00 0.00 N ATOM 168 CA GLN A 190 12.689 9.428 3.570 1.00 0.00 C ATOM 169 C GLN A 190 12.886 10.144 2.245 1.00 0.00 C ATOM 170 O GLN A 190 13.761 9.780 1.463 1.00 0.00 O ATOM 171 CB GLN A 190 13.779 9.901 4.534 1.00 0.00 C ATOM 172 CG GLN A 190 15.003 8.995 4.558 1.00 0.00 C ATOM 173 CD GLN A 190 16.177 9.619 5.279 1.00 0.00 C ATOM 174 OE1 GLN A 190 16.064 10.029 6.436 1.00 0.00 O ATOM 175 NE2 GLN A 190 17.310 9.696 4.599 1.00 0.00 N ATOM 0 H GLN A 190 13.652 7.619 3.133 1.00 0.00 H new ATOM 0 HA GLN A 190 11.696 9.669 3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 190 14.088 10.908 4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 190 13.362 9.962 5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 190 14.744 8.053 5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 190 15.295 8.758 3.535 1.00 0.00 H new ATOM 0 HE21 GLN A 190 17.356 9.343 3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 190 18.137 10.108 5.031 1.00 0.00 H new ATOM 184 N ALA A 191 12.125 11.219 2.037 1.00 0.00 N ATOM 185 CA ALA A 191 12.291 12.035 0.844 1.00 0.00 C ATOM 186 C ALA A 191 13.557 12.842 1.042 1.00 0.00 C ATOM 187 O ALA A 191 13.578 13.793 1.825 1.00 0.00 O ATOM 188 CB ALA A 191 11.096 12.954 0.620 1.00 0.00 C ATOM 0 H ALA A 191 11.396 11.539 2.675 1.00 0.00 H new ATOM 0 HA ALA A 191 12.359 11.402 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 191 11.257 13.547 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 191 10.193 12.355 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 191 10.982 13.618 1.477 1.00 0.00 H new ATOM 194 N THR A 192 14.625 12.420 0.401 1.00 0.00 N ATOM 195 CA THR A 192 15.903 13.071 0.584 1.00 0.00 C ATOM 196 C THR A 192 15.998 14.384 -0.184 1.00 0.00 C ATOM 197 O THR A 192 16.611 15.337 0.293 1.00 0.00 O ATOM 198 CB THR A 192 17.024 12.117 0.186 1.00 0.00 C ATOM 199 OG1 THR A 192 16.992 11.822 -1.204 1.00 0.00 O ATOM 200 CG2 THR A 192 16.967 10.797 0.923 1.00 0.00 C ATOM 0 H THR A 192 14.634 11.633 -0.248 1.00 0.00 H new ATOM 0 HA THR A 192 16.005 13.325 1.639 1.00 0.00 H new ATOM 0 HB THR A 192 17.942 12.641 0.451 1.00 0.00 H new ATOM 0 HG1 THR A 192 16.087 11.971 -1.549 1.00 0.00 H new ATOM 0 HG21 THR A 192 17.790 10.162 0.596 1.00 0.00 H new ATOM 0 HG22 THR A 192 17.050 10.975 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 192 16.020 10.302 0.709 1.00 0.00 H new ATOM 208 N GLU A 193 15.387 14.445 -1.359 1.00 0.00 N ATOM 209 CA GLU A 193 15.422 15.661 -2.155 1.00 0.00 C ATOM 210 C GLU A 193 14.055 16.337 -2.196 1.00 0.00 C ATOM 211 O GLU A 193 13.758 17.214 -1.387 1.00 0.00 O ATOM 212 CB GLU A 193 15.898 15.354 -3.577 1.00 0.00 C ATOM 213 CG GLU A 193 17.301 14.776 -3.646 1.00 0.00 C ATOM 214 CD GLU A 193 17.785 14.622 -5.066 1.00 0.00 C ATOM 215 OE1 GLU A 193 17.855 15.639 -5.784 1.00 0.00 O ATOM 216 OE2 GLU A 193 18.083 13.483 -5.469 1.00 0.00 O ATOM 0 H GLU A 193 14.866 13.674 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 193 16.126 16.347 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 193 15.203 14.652 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 193 15.864 16.270 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 193 17.986 15.424 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 193 17.317 13.805 -3.151 1.00 0.00 H new ATOM 223 N ALA A 194 13.233 15.906 -3.139 1.00 0.00 N ATOM 224 CA ALA A 194 11.893 16.445 -3.317 1.00 0.00 C ATOM 225 C ALA A 194 11.073 15.515 -4.189 1.00 0.00 C ATOM 226 O ALA A 194 9.880 15.334 -3.959 1.00 0.00 O ATOM 227 CB ALA A 194 11.944 17.836 -3.932 1.00 0.00 C ATOM 0 H ALA A 194 13.476 15.172 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 194 11.421 16.525 -2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 194 10.930 18.217 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 194 12.505 18.503 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 194 12.433 17.786 -4.905 1.00 0.00 H new ATOM 233 N HIS A 195 11.719 14.916 -5.190 1.00 0.00 N ATOM 234 CA HIS A 195 11.030 13.987 -6.078 1.00 0.00 C ATOM 235 C HIS A 195 10.764 12.680 -5.349 1.00 0.00 C ATOM 236 O HIS A 195 9.900 11.907 -5.747 1.00 0.00 O ATOM 237 CB HIS A 195 11.829 13.716 -7.360 1.00 0.00 C ATOM 238 CG HIS A 195 13.147 13.041 -7.139 1.00 0.00 C ATOM 239 ND1 HIS A 195 13.518 11.750 -7.313 1.00 0.00 N flip ATOM 240 CD2 HIS A 195 14.257 13.694 -6.657 1.00 0.00 C flip ATOM 241 CE1 HIS A 195 14.831 11.645 -6.929 1.00 0.00 C flip ATOM 242 NE2 HIS A 195 15.251 12.834 -6.535 1.00 0.00 N flip ATOM 0 H HIS A 195 12.707 15.057 -5.403 1.00 0.00 H new ATOM 0 HA HIS A 195 10.086 14.448 -6.370 1.00 0.00 H new ATOM 0 HB2 HIS A 195 11.226 13.098 -8.025 1.00 0.00 H new ATOM 0 HB3 HIS A 195 12.001 14.662 -7.873 1.00 0.00 H new ATOM 0 HD2 HIS A 195 14.308 14.746 -6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 195 15.422 10.741 -6.946 1.00 0.00 H new ATOM 0 HE2 HIS A 195 16.187 13.051 -6.193 1.00 0.00 H new ATOM 251 N ASP A 196 11.515 12.461 -4.270 1.00 0.00 N ATOM 252 CA ASP A 196 11.374 11.267 -3.449 1.00 0.00 C ATOM 253 C ASP A 196 10.111 11.381 -2.608 1.00 0.00 C ATOM 254 O ASP A 196 9.433 12.410 -2.635 1.00 0.00 O ATOM 255 CB ASP A 196 12.590 11.097 -2.524 1.00 0.00 C ATOM 256 CG ASP A 196 13.916 11.091 -3.255 1.00 0.00 C ATOM 257 OD1 ASP A 196 14.119 10.220 -4.122 1.00 0.00 O ATOM 258 OD2 ASP A 196 14.762 11.958 -2.946 1.00 0.00 O ATOM 0 H ASP A 196 12.235 13.106 -3.944 1.00 0.00 H new ATOM 0 HA ASP A 196 11.310 10.398 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 196 12.593 11.904 -1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 196 12.486 10.164 -1.970 1.00 0.00 H new ATOM 263 N LEU A 197 9.796 10.340 -1.856 1.00 0.00 N ATOM 264 CA LEU A 197 8.611 10.357 -1.016 1.00 0.00 C ATOM 265 C LEU A 197 8.852 9.554 0.256 1.00 0.00 C ATOM 266 O LEU A 197 9.640 8.609 0.263 1.00 0.00 O ATOM 267 CB LEU A 197 7.419 9.792 -1.804 1.00 0.00 C ATOM 268 CG LEU A 197 6.056 10.439 -1.533 1.00 0.00 C ATOM 269 CD1 LEU A 197 5.454 9.905 -0.251 1.00 0.00 C ATOM 270 CD2 LEU A 197 6.194 11.952 -1.459 1.00 0.00 C ATOM 0 H LEU A 197 10.340 9.478 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 197 8.387 11.383 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 197 7.637 9.887 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 197 7.341 8.726 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 197 5.389 10.187 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 197 4.487 10.378 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 197 5.321 8.826 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 197 6.120 10.126 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 197 5.218 12.397 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 197 6.879 12.216 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 197 6.584 12.328 -2.405 1.00 0.00 H new ATOM 282 N ARG A 198 8.172 9.938 1.328 1.00 0.00 N ATOM 283 CA ARG A 198 8.311 9.255 2.606 1.00 0.00 C ATOM 284 C ARG A 198 7.421 8.024 2.677 1.00 0.00 C ATOM 285 O ARG A 198 6.230 8.076 2.359 1.00 0.00 O ATOM 286 CB ARG A 198 7.964 10.181 3.768 1.00 0.00 C ATOM 287 CG ARG A 198 9.173 10.729 4.499 1.00 0.00 C ATOM 288 CD ARG A 198 8.858 10.958 5.967 1.00 0.00 C ATOM 289 NE ARG A 198 8.573 9.703 6.661 1.00 0.00 N ATOM 290 CZ ARG A 198 9.493 8.962 7.271 1.00 0.00 C ATOM 291 NH1 ARG A 198 10.739 9.401 7.389 1.00 0.00 N ATOM 292 NH2 ARG A 198 9.145 7.797 7.797 1.00 0.00 N ATOM 0 H ARG A 198 7.518 10.720 1.337 1.00 0.00 H new ATOM 0 HA ARG A 198 9.354 8.949 2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 198 7.371 11.014 3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 198 7.338 9.639 4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 198 10.006 10.033 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 198 9.487 11.666 4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 198 9.701 11.456 6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 198 8.001 11.626 6.055 1.00 0.00 H new ATOM 0 HE ARG A 198 7.607 9.375 6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 198 10.997 10.312 7.011 1.00 0.00 H new ATOM 0 HH12 ARG A 198 11.440 8.827 7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 198 8.179 7.476 7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 198 9.843 7.221 8.267 1.00 0.00 H new ATOM 306 N LEU A 199 8.003 6.926 3.120 1.00 0.00 N ATOM 307 CA LEU A 199 7.276 5.679 3.262 1.00 0.00 C ATOM 308 C LEU A 199 7.153 5.318 4.733 1.00 0.00 C ATOM 309 O LEU A 199 8.076 5.549 5.513 1.00 0.00 O ATOM 310 CB LEU A 199 8.002 4.535 2.545 1.00 0.00 C ATOM 311 CG LEU A 199 7.910 4.495 1.016 1.00 0.00 C ATOM 312 CD1 LEU A 199 8.707 5.622 0.387 1.00 0.00 C ATOM 313 CD2 LEU A 199 8.407 3.151 0.504 1.00 0.00 C ATOM 0 H LEU A 199 8.985 6.873 3.390 1.00 0.00 H new ATOM 0 HA LEU A 199 6.290 5.816 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 199 9.056 4.580 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 199 7.612 3.593 2.931 1.00 0.00 H new ATOM 0 HG LEU A 199 6.865 4.626 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 199 8.622 5.566 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 199 8.318 6.580 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 199 9.755 5.531 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 199 8.339 3.128 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 199 9.444 3.008 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 199 7.794 2.353 0.922 1.00 0.00 H new ATOM 325 N GLU A 200 6.035 4.716 5.100 1.00 0.00 N ATOM 326 CA GLU A 200 5.825 4.285 6.472 1.00 0.00 C ATOM 327 C GLU A 200 5.662 2.773 6.495 1.00 0.00 C ATOM 328 O GLU A 200 5.315 2.169 5.479 1.00 0.00 O ATOM 329 CB GLU A 200 4.591 4.953 7.084 1.00 0.00 C ATOM 330 CG GLU A 200 4.584 6.474 6.984 1.00 0.00 C ATOM 331 CD GLU A 200 5.767 7.119 7.666 1.00 0.00 C ATOM 332 OE1 GLU A 200 6.056 6.759 8.825 1.00 0.00 O ATOM 333 OE2 GLU A 200 6.395 7.998 7.048 1.00 0.00 O ATOM 0 H GLU A 200 5.260 4.515 4.469 1.00 0.00 H new ATOM 0 HA GLU A 200 6.690 4.579 7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 200 3.700 4.564 6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 200 4.523 4.670 8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 200 4.576 6.763 5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 200 3.664 6.857 7.426 1.00 0.00 H new ATOM 340 N ARG A 201 5.914 2.163 7.644 1.00 0.00 N ATOM 341 CA ARG A 201 5.792 0.715 7.778 1.00 0.00 C ATOM 342 C ARG A 201 4.330 0.302 7.927 1.00 0.00 C ATOM 343 O ARG A 201 3.853 0.043 9.033 1.00 0.00 O ATOM 344 CB ARG A 201 6.626 0.242 8.971 1.00 0.00 C ATOM 345 CG ARG A 201 8.096 0.606 8.832 1.00 0.00 C ATOM 346 CD ARG A 201 8.893 0.274 10.083 1.00 0.00 C ATOM 347 NE ARG A 201 10.283 0.722 9.977 1.00 0.00 N ATOM 348 CZ ARG A 201 11.191 0.603 10.949 1.00 0.00 C ATOM 349 NH1 ARG A 201 10.874 0.025 12.097 1.00 0.00 N ATOM 350 NH2 ARG A 201 12.416 1.078 10.769 1.00 0.00 N ATOM 0 H ARG A 201 6.203 2.644 8.495 1.00 0.00 H new ATOM 0 HA ARG A 201 6.171 0.240 6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 201 6.230 0.684 9.885 1.00 0.00 H new ATOM 0 HB3 ARG A 201 6.530 -0.839 9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 201 8.521 0.074 7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 201 8.186 1.671 8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 201 8.425 0.744 10.948 1.00 0.00 H new ATOM 0 HD3 ARG A 201 8.870 -0.802 10.254 1.00 0.00 H new ATOM 0 HE ARG A 201 10.578 1.154 9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 201 9.930 -0.333 12.244 1.00 0.00 H new ATOM 0 HH12 ARG A 201 11.573 -0.062 12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 201 12.663 1.533 9.890 1.00 0.00 H new ATOM 0 HH22 ARG A 201 13.112 0.989 11.510 1.00 0.00 H new ATOM 364 N GLY A 202 3.624 0.246 6.802 1.00 0.00 N ATOM 365 CA GLY A 202 2.221 -0.131 6.811 1.00 0.00 C ATOM 366 C GLY A 202 1.318 1.012 6.388 1.00 0.00 C ATOM 367 O GLY A 202 0.603 1.583 7.214 1.00 0.00 O ATOM 0 H GLY A 202 4.001 0.456 5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.070 -0.978 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.942 -0.461 7.811 1.00 0.00 H new ATOM 371 N GLN A 203 1.353 1.351 5.100 1.00 0.00 N ATOM 372 CA GLN A 203 0.533 2.435 4.563 1.00 0.00 C ATOM 373 C GLN A 203 -0.061 2.071 3.214 1.00 0.00 C ATOM 374 O GLN A 203 0.670 1.795 2.265 1.00 0.00 O ATOM 375 CB GLN A 203 1.364 3.706 4.399 1.00 0.00 C ATOM 376 CG GLN A 203 1.672 4.419 5.698 1.00 0.00 C ATOM 377 CD GLN A 203 0.489 5.190 6.242 1.00 0.00 C ATOM 378 OE1 GLN A 203 -0.566 4.620 6.524 1.00 0.00 O ATOM 379 NE2 GLN A 203 0.657 6.495 6.389 1.00 0.00 N ATOM 0 H GLN A 203 1.942 0.889 4.408 1.00 0.00 H new ATOM 0 HA GLN A 203 -0.275 2.604 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.302 3.452 3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 203 0.832 4.391 3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 203 1.995 3.689 6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.505 5.104 5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 203 1.548 6.925 6.143 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -0.105 7.070 6.749 1.00 0.00 H new ATOM 388 N GLU A 204 -1.382 2.101 3.121 1.00 0.00 N ATOM 389 CA GLU A 204 -2.061 1.794 1.872 1.00 0.00 C ATOM 390 C GLU A 204 -2.081 3.024 0.973 1.00 0.00 C ATOM 391 O GLU A 204 -2.980 3.866 1.049 1.00 0.00 O ATOM 392 CB GLU A 204 -3.469 1.276 2.151 1.00 0.00 C ATOM 393 CG GLU A 204 -3.465 -0.055 2.887 1.00 0.00 C ATOM 394 CD GLU A 204 -4.847 -0.645 3.052 1.00 0.00 C ATOM 395 OE1 GLU A 204 -5.831 0.027 2.691 1.00 0.00 O ATOM 396 OE2 GLU A 204 -4.949 -1.789 3.542 1.00 0.00 O ATOM 0 H GLU A 204 -2.004 2.335 3.895 1.00 0.00 H new ATOM 0 HA GLU A 204 -1.518 1.007 1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -4.013 2.013 2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -4.005 1.165 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -2.837 -0.762 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -3.015 0.082 3.870 1.00 0.00 H new ATOM 403 N TYR A 205 -1.062 3.117 0.138 1.00 0.00 N ATOM 404 CA TYR A 205 -0.900 4.237 -0.778 1.00 0.00 C ATOM 405 C TYR A 205 -1.626 4.005 -2.100 1.00 0.00 C ATOM 406 O TYR A 205 -2.084 2.900 -2.394 1.00 0.00 O ATOM 407 CB TYR A 205 0.591 4.466 -1.060 1.00 0.00 C ATOM 408 CG TYR A 205 1.326 5.254 0.008 1.00 0.00 C ATOM 409 CD1 TYR A 205 0.930 6.541 0.346 1.00 0.00 C ATOM 410 CD2 TYR A 205 2.428 4.717 0.664 1.00 0.00 C ATOM 411 CE1 TYR A 205 1.605 7.272 1.302 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.106 5.442 1.626 1.00 0.00 C ATOM 413 CZ TYR A 205 2.694 6.718 1.938 1.00 0.00 C ATOM 414 OH TYR A 205 3.375 7.447 2.884 1.00 0.00 O ATOM 0 H TYR A 205 -0.321 2.419 0.074 1.00 0.00 H new ATOM 0 HA TYR A 205 -1.337 5.114 -0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.077 3.498 -1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 205 0.690 4.989 -2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 205 0.076 6.979 -0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 205 2.759 3.719 0.418 1.00 0.00 H new ATOM 0 HE1 TYR A 205 1.282 8.272 1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 205 3.956 5.009 2.131 1.00 0.00 H new ATOM 0 HH TYR A 205 4.300 7.583 2.589 1.00 0.00 H new ATOM 424 N ILE A 206 -1.687 5.053 -2.913 1.00 0.00 N ATOM 425 CA ILE A 206 -2.309 4.993 -4.228 1.00 0.00 C ATOM 426 C ILE A 206 -1.255 5.353 -5.272 1.00 0.00 C ATOM 427 O ILE A 206 -0.746 6.472 -5.271 1.00 0.00 O ATOM 428 CB ILE A 206 -3.498 5.974 -4.378 1.00 0.00 C ATOM 429 CG1 ILE A 206 -3.755 6.769 -3.093 1.00 0.00 C ATOM 430 CG2 ILE A 206 -4.756 5.228 -4.785 1.00 0.00 C ATOM 431 CD1 ILE A 206 -4.485 5.998 -2.009 1.00 0.00 C ATOM 0 H ILE A 206 -1.306 5.969 -2.678 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.697 3.983 -4.364 1.00 0.00 H new ATOM 0 HB ILE A 206 -3.230 6.684 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -2.799 7.112 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.334 7.658 -3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -5.581 5.933 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -4.589 4.726 -5.738 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -5.002 4.488 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.623 6.638 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -5.458 5.678 -2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -3.899 5.123 -1.727 1.00 0.00 H new ATOM 443 N ILE A 207 -0.903 4.407 -6.130 1.00 0.00 N ATOM 444 CA ILE A 207 0.118 4.636 -7.138 1.00 0.00 C ATOM 445 C ILE A 207 -0.407 5.453 -8.323 1.00 0.00 C ATOM 446 O ILE A 207 -1.472 5.175 -8.876 1.00 0.00 O ATOM 447 CB ILE A 207 0.723 3.281 -7.583 1.00 0.00 C ATOM 448 CG1 ILE A 207 1.835 3.461 -8.608 1.00 0.00 C ATOM 449 CG2 ILE A 207 -0.349 2.355 -8.122 1.00 0.00 C ATOM 450 CD1 ILE A 207 1.355 3.498 -10.044 1.00 0.00 C ATOM 0 H ILE A 207 -1.311 3.472 -6.147 1.00 0.00 H new ATOM 0 HA ILE A 207 0.910 5.239 -6.694 1.00 0.00 H new ATOM 0 HB ILE A 207 1.163 2.824 -6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 207 2.368 4.387 -8.391 1.00 0.00 H new ATOM 0 HG13 ILE A 207 2.552 2.647 -8.497 1.00 0.00 H new ATOM 0 HG21 ILE A 207 0.105 1.412 -8.427 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -1.091 2.167 -7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -0.832 2.819 -8.981 1.00 0.00 H new ATOM 0 HD11 ILE A 207 2.208 3.629 -10.710 1.00 0.00 H new ATOM 0 HD12 ILE A 207 0.849 2.563 -10.283 1.00 0.00 H new ATOM 0 HD13 ILE A 207 0.662 4.329 -10.175 1.00 0.00 H new ATOM 462 N LEU A 208 0.369 6.465 -8.698 1.00 0.00 N ATOM 463 CA LEU A 208 0.030 7.351 -9.804 1.00 0.00 C ATOM 464 C LEU A 208 0.851 6.979 -11.031 1.00 0.00 C ATOM 465 O LEU A 208 0.318 6.842 -12.129 1.00 0.00 O ATOM 466 CB LEU A 208 0.314 8.832 -9.473 1.00 0.00 C ATOM 467 CG LEU A 208 -0.222 9.389 -8.144 1.00 0.00 C ATOM 468 CD1 LEU A 208 -1.696 9.102 -7.965 1.00 0.00 C ATOM 469 CD2 LEU A 208 0.563 8.845 -6.970 1.00 0.00 C ATOM 0 H LEU A 208 1.252 6.693 -8.242 1.00 0.00 H new ATOM 0 HA LEU A 208 -1.037 7.232 -9.991 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.394 8.976 -9.484 1.00 0.00 H new ATOM 0 HB3 LEU A 208 -0.096 9.439 -10.280 1.00 0.00 H new ATOM 0 HG LEU A 208 -0.095 10.471 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 208 -2.034 9.513 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 208 -2.258 9.562 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 208 -1.861 8.025 -7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 208 0.163 9.255 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 208 0.482 7.758 -6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 208 1.611 9.129 -7.070 1.00 0.00 H new ATOM 481 N GLU A 209 2.160 6.828 -10.830 1.00 0.00 N ATOM 482 CA GLU A 209 3.066 6.481 -11.924 1.00 0.00 C ATOM 483 C GLU A 209 3.762 5.150 -11.663 1.00 0.00 C ATOM 484 O GLU A 209 4.367 4.952 -10.607 1.00 0.00 O ATOM 485 CB GLU A 209 4.107 7.581 -12.128 1.00 0.00 C ATOM 486 CG GLU A 209 3.516 8.883 -12.637 1.00 0.00 C ATOM 487 CD GLU A 209 4.534 9.994 -12.734 1.00 0.00 C ATOM 488 OE1 GLU A 209 5.668 9.818 -12.245 1.00 0.00 O ATOM 489 OE2 GLU A 209 4.193 11.059 -13.284 1.00 0.00 O ATOM 0 H GLU A 209 2.615 6.940 -9.924 1.00 0.00 H new ATOM 0 HA GLU A 209 2.468 6.384 -12.830 1.00 0.00 H new ATOM 0 HB2 GLU A 209 4.618 7.767 -11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 209 4.860 7.232 -12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 209 3.074 8.716 -13.619 1.00 0.00 H new ATOM 0 HG3 GLU A 209 2.709 9.194 -11.973 1.00 0.00 H new ATOM 496 N LYS A 210 3.665 4.241 -12.624 1.00 0.00 N ATOM 497 CA LYS A 210 4.273 2.922 -12.498 1.00 0.00 C ATOM 498 C LYS A 210 5.259 2.682 -13.634 1.00 0.00 C ATOM 499 O LYS A 210 4.872 2.259 -14.727 1.00 0.00 O ATOM 500 CB LYS A 210 3.187 1.843 -12.507 1.00 0.00 C ATOM 501 CG LYS A 210 3.682 0.459 -12.117 1.00 0.00 C ATOM 502 CD LYS A 210 2.547 -0.547 -12.080 1.00 0.00 C ATOM 503 CE LYS A 210 1.991 -0.796 -13.470 1.00 0.00 C ATOM 504 NZ LYS A 210 0.718 -1.565 -13.434 1.00 0.00 N ATOM 0 H LYS A 210 3.169 4.393 -13.502 1.00 0.00 H new ATOM 0 HA LYS A 210 4.813 2.874 -11.553 1.00 0.00 H new ATOM 0 HB2 LYS A 210 2.391 2.138 -11.823 1.00 0.00 H new ATOM 0 HB3 LYS A 210 2.749 1.793 -13.504 1.00 0.00 H new ATOM 0 HG2 LYS A 210 4.439 0.129 -12.828 1.00 0.00 H new ATOM 0 HG3 LYS A 210 4.161 0.505 -11.139 1.00 0.00 H new ATOM 0 HD2 LYS A 210 2.902 -1.485 -11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 210 1.754 -0.181 -11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 210 1.824 0.158 -13.969 1.00 0.00 H new ATOM 0 HE3 LYS A 210 2.726 -1.341 -14.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 0.374 -1.712 -14.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 0.882 -2.487 -12.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 0.007 -1.034 -12.891 1.00 0.00 H new ATOM 518 N ASN A 211 6.531 2.956 -13.382 1.00 0.00 N ATOM 519 CA ASN A 211 7.563 2.766 -14.397 1.00 0.00 C ATOM 520 C ASN A 211 8.181 1.379 -14.265 1.00 0.00 C ATOM 521 O ASN A 211 7.672 0.411 -14.824 1.00 0.00 O ATOM 522 CB ASN A 211 8.647 3.844 -14.282 1.00 0.00 C ATOM 523 CG ASN A 211 8.087 5.253 -14.372 1.00 0.00 C ATOM 524 OD1 ASN A 211 7.372 5.590 -15.319 1.00 0.00 O ATOM 525 ND2 ASN A 211 8.418 6.091 -13.398 1.00 0.00 N ATOM 0 H ASN A 211 6.874 3.309 -12.489 1.00 0.00 H new ATOM 0 HA ASN A 211 7.098 2.854 -15.379 1.00 0.00 H new ATOM 0 HB2 ASN A 211 9.171 3.726 -13.334 1.00 0.00 H new ATOM 0 HB3 ASN A 211 9.383 3.699 -15.073 1.00 0.00 H new ATOM 0 HD21 ASN A 211 8.079 7.053 -13.415 1.00 0.00 H new ATOM 0 HD22 ASN A 211 9.012 5.773 -12.632 1.00 0.00 H new ATOM 532 N ASP A 212 9.256 1.278 -13.492 1.00 0.00 N ATOM 533 CA ASP A 212 9.911 -0.007 -13.261 1.00 0.00 C ATOM 534 C ASP A 212 9.622 -0.457 -11.836 1.00 0.00 C ATOM 535 O ASP A 212 9.266 0.369 -10.998 1.00 0.00 O ATOM 536 CB ASP A 212 11.421 0.095 -13.493 1.00 0.00 C ATOM 537 CG ASP A 212 12.117 -1.239 -13.352 1.00 0.00 C ATOM 538 OD1 ASP A 212 11.774 -2.172 -14.102 1.00 0.00 O ATOM 539 OD2 ASP A 212 13.001 -1.356 -12.487 1.00 0.00 O ATOM 0 H ASP A 212 9.693 2.067 -13.015 1.00 0.00 H new ATOM 0 HA ASP A 212 9.519 -0.740 -13.967 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.606 0.495 -14.490 1.00 0.00 H new ATOM 0 HB3 ASP A 212 11.848 0.802 -12.782 1.00 0.00 H new ATOM 544 N LEU A 213 9.766 -1.751 -11.559 1.00 0.00 N ATOM 545 CA LEU A 213 9.501 -2.290 -10.222 1.00 0.00 C ATOM 546 C LEU A 213 10.567 -1.883 -9.207 1.00 0.00 C ATOM 547 O LEU A 213 10.684 -2.484 -8.136 1.00 0.00 O ATOM 548 CB LEU A 213 9.360 -3.817 -10.264 1.00 0.00 C ATOM 549 CG LEU A 213 8.007 -4.330 -10.773 1.00 0.00 C ATOM 550 CD1 LEU A 213 7.891 -4.176 -12.282 1.00 0.00 C ATOM 551 CD2 LEU A 213 7.803 -5.779 -10.363 1.00 0.00 C ATOM 0 H LEU A 213 10.065 -2.448 -12.241 1.00 0.00 H new ATOM 0 HA LEU A 213 8.557 -1.857 -9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 213 10.147 -4.222 -10.900 1.00 0.00 H new ATOM 0 HB3 LEU A 213 9.526 -4.210 -9.261 1.00 0.00 H new ATOM 0 HG LEU A 213 7.223 -3.725 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 213 6.921 -4.548 -12.612 1.00 0.00 H new ATOM 0 HD12 LEU A 213 7.985 -3.123 -12.549 1.00 0.00 H new ATOM 0 HD13 LEU A 213 8.683 -4.746 -12.768 1.00 0.00 H new ATOM 0 HD21 LEU A 213 6.839 -6.129 -10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 213 8.598 -6.393 -10.787 1.00 0.00 H new ATOM 0 HD23 LEU A 213 7.826 -5.856 -9.276 1.00 0.00 H new ATOM 563 N HIS A 214 11.312 -0.842 -9.533 1.00 0.00 N ATOM 564 CA HIS A 214 12.332 -0.320 -8.643 1.00 0.00 C ATOM 565 C HIS A 214 11.961 1.094 -8.212 1.00 0.00 C ATOM 566 O HIS A 214 12.299 1.521 -7.109 1.00 0.00 O ATOM 567 CB HIS A 214 13.714 -0.294 -9.308 1.00 0.00 C ATOM 568 CG HIS A 214 14.371 -1.633 -9.453 1.00 0.00 C ATOM 569 ND1 HIS A 214 15.653 -1.779 -9.936 1.00 0.00 N ATOM 570 CD2 HIS A 214 13.930 -2.885 -9.175 1.00 0.00 C ATOM 571 CE1 HIS A 214 15.976 -3.059 -9.947 1.00 0.00 C ATOM 572 NE2 HIS A 214 14.949 -3.750 -9.490 1.00 0.00 N ATOM 0 H HIS A 214 11.228 -0.338 -10.416 1.00 0.00 H new ATOM 0 HA HIS A 214 12.383 -0.982 -7.778 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.617 0.155 -10.296 1.00 0.00 H new ATOM 0 HB3 HIS A 214 14.369 0.354 -8.726 1.00 0.00 H new ATOM 0 HD2 HIS A 214 12.961 -3.151 -8.780 1.00 0.00 H new ATOM 0 HE1 HIS A 214 16.920 -3.470 -10.274 1.00 0.00 H new ATOM 0 HE2 HIS A 214 14.917 -4.764 -9.387 1.00 0.00 H new ATOM 581 N TRP A 215 11.272 1.816 -9.099 1.00 0.00 N ATOM 582 CA TRP A 215 10.864 3.190 -8.823 1.00 0.00 C ATOM 583 C TRP A 215 9.446 3.482 -9.310 1.00 0.00 C ATOM 584 O TRP A 215 9.178 3.486 -10.513 1.00 0.00 O ATOM 585 CB TRP A 215 11.830 4.179 -9.483 1.00 0.00 C ATOM 586 CG TRP A 215 13.060 4.453 -8.674 1.00 0.00 C ATOM 587 CD1 TRP A 215 14.273 3.828 -8.748 1.00 0.00 C ATOM 588 CD2 TRP A 215 13.175 5.426 -7.645 1.00 0.00 C ATOM 589 NE1 TRP A 215 15.138 4.376 -7.827 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.482 5.359 -7.133 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.285 6.351 -7.112 1.00 0.00 C ATOM 592 CZ2 TRP A 215 14.917 6.191 -6.106 1.00 0.00 C ATOM 593 CZ3 TRP A 215 12.711 7.177 -6.099 1.00 0.00 C ATOM 594 CH2 TRP A 215 14.017 7.095 -5.601 1.00 0.00 C ATOM 0 H TRP A 215 10.986 1.469 -10.015 1.00 0.00 H new ATOM 0 HA TRP A 215 10.885 3.311 -7.740 1.00 0.00 H new ATOM 0 HB2 TRP A 215 12.126 3.788 -10.457 1.00 0.00 H new ATOM 0 HB3 TRP A 215 11.307 5.119 -9.662 1.00 0.00 H new ATOM 0 HD1 TRP A 215 14.517 3.024 -9.427 1.00 0.00 H new ATOM 0 HE1 TRP A 215 16.108 4.096 -7.685 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.275 6.420 -7.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 15.924 6.128 -5.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 12.027 7.901 -5.681 1.00 0.00 H new ATOM 0 HH2 TRP A 215 14.322 7.756 -4.804 1.00 0.00 H new ATOM 605 N TRP A 216 8.555 3.772 -8.372 1.00 0.00 N ATOM 606 CA TRP A 216 7.177 4.119 -8.699 1.00 0.00 C ATOM 607 C TRP A 216 6.861 5.513 -8.177 1.00 0.00 C ATOM 608 O TRP A 216 7.757 6.257 -7.796 1.00 0.00 O ATOM 609 CB TRP A 216 6.181 3.118 -8.099 1.00 0.00 C ATOM 610 CG TRP A 216 6.135 1.797 -8.803 1.00 0.00 C ATOM 611 CD1 TRP A 216 6.659 1.493 -10.024 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.502 0.605 -8.333 1.00 0.00 C ATOM 613 NE1 TRP A 216 6.398 0.179 -10.333 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.690 -0.386 -9.310 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.802 0.282 -7.174 1.00 0.00 C ATOM 616 CZ2 TRP A 216 5.199 -1.681 -9.164 1.00 0.00 C ATOM 617 CZ3 TRP A 216 4.315 -1.002 -7.027 1.00 0.00 C ATOM 618 CH2 TRP A 216 4.517 -1.972 -8.016 1.00 0.00 C ATOM 0 H TRP A 216 8.762 3.774 -7.373 1.00 0.00 H new ATOM 0 HA TRP A 216 7.077 4.090 -9.784 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.438 2.950 -7.053 1.00 0.00 H new ATOM 0 HB3 TRP A 216 5.185 3.560 -8.116 1.00 0.00 H new ATOM 0 HD1 TRP A 216 7.199 2.183 -10.656 1.00 0.00 H new ATOM 0 HE1 TRP A 216 6.686 -0.297 -11.188 1.00 0.00 H new ATOM 0 HE3 TRP A 216 4.643 1.022 -6.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 5.351 -2.427 -9.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 3.768 -1.263 -6.133 1.00 0.00 H new ATOM 0 HH2 TRP A 216 4.127 -2.968 -7.869 1.00 0.00 H new ATOM 629 N ARG A 217 5.583 5.853 -8.153 1.00 0.00 N ATOM 630 CA ARG A 217 5.122 7.148 -7.670 1.00 0.00 C ATOM 631 C ARG A 217 3.775 6.946 -7.004 1.00 0.00 C ATOM 632 O ARG A 217 2.818 6.569 -7.677 1.00 0.00 O ATOM 633 CB ARG A 217 5.001 8.113 -8.846 1.00 0.00 C ATOM 634 CG ARG A 217 5.689 9.452 -8.636 1.00 0.00 C ATOM 635 CD ARG A 217 4.772 10.460 -7.966 1.00 0.00 C ATOM 636 NE ARG A 217 5.296 11.830 -8.003 1.00 0.00 N ATOM 637 CZ ARG A 217 5.551 12.516 -9.119 1.00 0.00 C ATOM 638 NH1 ARG A 217 5.396 11.958 -10.310 1.00 0.00 N ATOM 639 NH2 ARG A 217 5.959 13.777 -9.044 1.00 0.00 N ATOM 0 H ARG A 217 4.832 5.238 -8.468 1.00 0.00 H new ATOM 0 HA ARG A 217 5.827 7.570 -6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 217 5.420 7.639 -9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 217 3.944 8.289 -9.048 1.00 0.00 H new ATOM 0 HG2 ARG A 217 6.581 9.310 -8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 217 6.020 9.845 -9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 217 3.798 10.437 -8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 217 4.615 10.166 -6.928 1.00 0.00 H new ATOM 0 HE ARG A 217 5.478 12.291 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 217 5.078 10.992 -10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 217 5.595 12.495 -11.154 1.00 0.00 H new ATOM 0 HH21 ARG A 217 6.078 14.221 -8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 217 6.154 14.302 -9.897 1.00 0.00 H new ATOM 653 N ALA A 218 3.702 7.150 -5.689 1.00 0.00 N ATOM 654 CA ALA A 218 2.441 6.922 -4.979 1.00 0.00 C ATOM 655 C ALA A 218 2.046 8.069 -4.052 1.00 0.00 C ATOM 656 O ALA A 218 2.889 8.804 -3.541 1.00 0.00 O ATOM 657 CB ALA A 218 2.507 5.623 -4.189 1.00 0.00 C ATOM 0 H ALA A 218 4.477 7.464 -5.105 1.00 0.00 H new ATOM 0 HA ALA A 218 1.669 6.858 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.563 5.467 -3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.687 4.791 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.318 5.679 -3.463 1.00 0.00 H new ATOM 663 N ARG A 219 0.737 8.195 -3.841 1.00 0.00 N ATOM 664 CA ARG A 219 0.167 9.224 -2.982 1.00 0.00 C ATOM 665 C ARG A 219 -0.680 8.578 -1.895 1.00 0.00 C ATOM 666 O ARG A 219 -0.850 7.365 -1.869 1.00 0.00 O ATOM 667 CB ARG A 219 -0.754 10.151 -3.782 1.00 0.00 C ATOM 668 CG ARG A 219 -0.519 11.656 -3.607 1.00 0.00 C ATOM 669 CD ARG A 219 -0.255 12.091 -2.168 1.00 0.00 C ATOM 670 NE ARG A 219 1.037 11.617 -1.675 1.00 0.00 N ATOM 671 CZ ARG A 219 1.595 12.016 -0.528 1.00 0.00 C ATOM 672 NH1 ARG A 219 1.017 12.944 0.214 1.00 0.00 N ATOM 673 NH2 ARG A 219 2.733 11.482 -0.117 1.00 0.00 N ATOM 0 H ARG A 219 0.041 7.582 -4.265 1.00 0.00 H new ATOM 0 HA ARG A 219 0.993 9.791 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -0.649 9.909 -4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -1.785 9.931 -3.506 1.00 0.00 H new ATOM 0 HG2 ARG A 219 0.329 11.953 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -1.390 12.193 -3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -0.288 13.179 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -1.049 11.712 -1.524 1.00 0.00 H new ATOM 0 HE ARG A 219 1.545 10.939 -2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 219 0.137 13.363 -0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 219 1.451 13.242 1.088 1.00 0.00 H new ATOM 0 HH21 ARG A 219 3.190 10.762 -0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 219 3.154 11.791 0.759 1.00 0.00 H new ATOM 687 N ASP A 220 -1.263 9.407 -1.051 1.00 0.00 N ATOM 688 CA ASP A 220 -2.163 8.952 -0.004 1.00 0.00 C ATOM 689 C ASP A 220 -3.508 9.624 -0.217 1.00 0.00 C ATOM 690 O ASP A 220 -4.557 8.983 -0.182 1.00 0.00 O ATOM 691 CB ASP A 220 -1.624 9.261 1.400 1.00 0.00 C ATOM 692 CG ASP A 220 -0.771 10.505 1.454 1.00 0.00 C ATOM 693 OD1 ASP A 220 -1.251 11.578 1.044 1.00 0.00 O ATOM 694 OD2 ASP A 220 0.381 10.407 1.920 1.00 0.00 O ATOM 0 H ASP A 220 -1.127 10.418 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 220 -2.259 7.868 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -2.463 9.375 2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -1.038 8.412 1.751 1.00 0.00 H new ATOM 699 N LYS A 221 -3.453 10.928 -0.456 1.00 0.00 N ATOM 700 CA LYS A 221 -4.640 11.727 -0.708 1.00 0.00 C ATOM 701 C LYS A 221 -4.955 11.796 -2.208 1.00 0.00 C ATOM 702 O LYS A 221 -5.105 10.765 -2.864 1.00 0.00 O ATOM 703 CB LYS A 221 -4.456 13.125 -0.101 1.00 0.00 C ATOM 704 CG LYS A 221 -3.131 13.799 -0.455 1.00 0.00 C ATOM 705 CD LYS A 221 -2.787 14.897 0.542 1.00 0.00 C ATOM 706 CE LYS A 221 -3.712 16.106 0.413 1.00 0.00 C ATOM 707 NZ LYS A 221 -3.438 17.146 1.442 1.00 0.00 N ATOM 0 H LYS A 221 -2.583 11.459 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 221 -5.496 11.252 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -5.274 13.763 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -4.533 13.050 0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -2.334 13.055 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -3.192 14.221 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -2.852 14.499 1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -1.755 15.213 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -3.598 16.542 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -4.748 15.778 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -4.092 17.944 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -3.572 16.740 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -2.458 17.481 1.345 1.00 0.00 H new ATOM 721 N TYR A 222 -5.065 13.011 -2.746 1.00 0.00 N ATOM 722 CA TYR A 222 -5.384 13.196 -4.160 1.00 0.00 C ATOM 723 C TYR A 222 -4.254 13.869 -4.950 1.00 0.00 C ATOM 724 O TYR A 222 -4.280 13.865 -6.179 1.00 0.00 O ATOM 725 CB TYR A 222 -6.674 14.014 -4.315 1.00 0.00 C ATOM 726 CG TYR A 222 -6.768 15.218 -3.403 1.00 0.00 C ATOM 727 CD1 TYR A 222 -7.162 15.080 -2.078 1.00 0.00 C ATOM 728 CD2 TYR A 222 -6.465 16.489 -3.868 1.00 0.00 C ATOM 729 CE1 TYR A 222 -7.255 16.176 -1.243 1.00 0.00 C ATOM 730 CE2 TYR A 222 -6.554 17.592 -3.037 1.00 0.00 C ATOM 731 CZ TYR A 222 -6.951 17.431 -1.726 1.00 0.00 C ATOM 732 OH TYR A 222 -7.049 18.526 -0.900 1.00 0.00 O ATOM 0 H TYR A 222 -4.938 13.879 -2.225 1.00 0.00 H new ATOM 0 HA TYR A 222 -5.519 12.198 -4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -6.754 14.350 -5.349 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -7.527 13.363 -4.125 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -7.400 14.099 -1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -6.155 16.620 -4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -7.565 16.051 -0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -6.313 18.575 -3.414 1.00 0.00 H new ATOM 0 HH TYR A 222 -6.798 19.333 -1.396 1.00 0.00 H new ATOM 742 N GLY A 223 -3.274 14.461 -4.272 1.00 0.00 N ATOM 743 CA GLY A 223 -2.199 15.122 -5.004 1.00 0.00 C ATOM 744 C GLY A 223 -1.141 15.753 -4.121 1.00 0.00 C ATOM 745 O GLY A 223 -1.409 16.746 -3.444 1.00 0.00 O ATOM 0 H GLY A 223 -3.201 14.497 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -1.721 14.395 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -2.630 15.893 -5.642 1.00 0.00 H new ATOM 749 N SER A 224 0.055 15.160 -4.164 1.00 0.00 N ATOM 750 CA SER A 224 1.248 15.593 -3.410 1.00 0.00 C ATOM 751 C SER A 224 2.143 14.372 -3.234 1.00 0.00 C ATOM 752 O SER A 224 2.775 14.180 -2.202 1.00 0.00 O ATOM 753 CB SER A 224 0.893 16.175 -2.030 1.00 0.00 C ATOM 754 OG SER A 224 1.911 17.040 -1.544 1.00 0.00 O ATOM 0 H SER A 224 0.232 14.338 -4.742 1.00 0.00 H new ATOM 0 HA SER A 224 1.748 16.386 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 224 -0.047 16.722 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 224 0.738 15.361 -1.321 1.00 0.00 H new ATOM 0 HG SER A 224 1.650 17.392 -0.667 1.00 0.00 H new ATOM 760 N GLU A 225 2.141 13.529 -4.256 1.00 0.00 N ATOM 761 CA GLU A 225 2.882 12.279 -4.258 1.00 0.00 C ATOM 762 C GLU A 225 4.357 12.468 -4.574 1.00 0.00 C ATOM 763 O GLU A 225 4.852 13.589 -4.697 1.00 0.00 O ATOM 764 CB GLU A 225 2.260 11.309 -5.270 1.00 0.00 C ATOM 765 CG GLU A 225 2.023 11.909 -6.649 1.00 0.00 C ATOM 766 CD GLU A 225 0.833 12.840 -6.707 1.00 0.00 C ATOM 767 OE1 GLU A 225 -0.309 12.354 -6.638 1.00 0.00 O ATOM 768 OE2 GLU A 225 1.045 14.062 -6.792 1.00 0.00 O ATOM 0 H GLU A 225 1.619 13.697 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 225 2.818 11.869 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 225 2.912 10.441 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 225 1.310 10.950 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 225 2.915 12.454 -6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 225 1.878 11.102 -7.367 1.00 0.00 H new ATOM 775 N GLY A 226 5.047 11.341 -4.706 1.00 0.00 N ATOM 776 CA GLY A 226 6.460 11.347 -5.008 1.00 0.00 C ATOM 777 C GLY A 226 6.946 9.969 -5.403 1.00 0.00 C ATOM 778 O GLY A 226 6.219 8.977 -5.250 1.00 0.00 O ATOM 0 H GLY A 226 4.642 10.410 -4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.658 12.050 -5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 226 7.018 11.696 -4.139 1.00 0.00 H new ATOM 782 N TYR A 227 8.163 9.912 -5.914 1.00 0.00 N ATOM 783 CA TYR A 227 8.772 8.661 -6.342 1.00 0.00 C ATOM 784 C TYR A 227 9.080 7.776 -5.143 1.00 0.00 C ATOM 785 O TYR A 227 9.663 8.216 -4.154 1.00 0.00 O ATOM 786 CB TYR A 227 10.023 8.942 -7.174 1.00 0.00 C ATOM 787 CG TYR A 227 9.684 9.331 -8.590 1.00 0.00 C ATOM 788 CD1 TYR A 227 9.162 8.394 -9.462 1.00 0.00 C ATOM 789 CD2 TYR A 227 9.848 10.631 -9.041 1.00 0.00 C ATOM 790 CE1 TYR A 227 8.807 8.735 -10.751 1.00 0.00 C ATOM 791 CE2 TYR A 227 9.502 10.985 -10.336 1.00 0.00 C ATOM 792 CZ TYR A 227 8.979 10.032 -11.186 1.00 0.00 C ATOM 793 OH TYR A 227 8.612 10.375 -12.466 1.00 0.00 O ATOM 0 H TYR A 227 8.758 10.730 -6.045 1.00 0.00 H new ATOM 0 HA TYR A 227 8.066 8.120 -6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.597 9.741 -6.706 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.658 8.056 -7.184 1.00 0.00 H new ATOM 0 HD1 TYR A 227 9.030 7.376 -9.128 1.00 0.00 H new ATOM 0 HD2 TYR A 227 10.251 11.379 -8.374 1.00 0.00 H new ATOM 0 HE1 TYR A 227 8.396 7.990 -11.416 1.00 0.00 H new ATOM 0 HE2 TYR A 227 9.641 12.000 -10.677 1.00 0.00 H new ATOM 0 HH TYR A 227 7.646 10.248 -12.575 1.00 0.00 H new ATOM 803 N ILE A 228 8.633 6.535 -5.233 1.00 0.00 N ATOM 804 CA ILE A 228 8.794 5.571 -4.166 1.00 0.00 C ATOM 805 C ILE A 228 9.496 4.313 -4.641 1.00 0.00 C ATOM 806 O ILE A 228 9.121 3.736 -5.662 1.00 0.00 O ATOM 807 CB ILE A 228 7.407 5.171 -3.624 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.661 6.408 -3.107 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.514 4.119 -2.540 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.387 6.084 -2.369 1.00 0.00 C ATOM 0 H ILE A 228 8.147 6.170 -6.052 1.00 0.00 H new ATOM 0 HA ILE A 228 9.401 6.039 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 228 6.839 4.736 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 228 7.321 6.969 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.427 7.058 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.517 3.862 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 228 7.995 3.228 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 228 8.107 4.508 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.916 7.008 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.707 5.550 -3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 228 5.616 5.459 -1.505 1.00 0.00 H new ATOM 822 N PRO A 229 10.500 3.848 -3.886 1.00 0.00 N ATOM 823 CA PRO A 229 11.203 2.628 -4.220 1.00 0.00 C ATOM 824 C PRO A 229 10.312 1.426 -3.968 1.00 0.00 C ATOM 825 O PRO A 229 10.133 1.008 -2.826 1.00 0.00 O ATOM 826 CB PRO A 229 12.399 2.599 -3.271 1.00 0.00 C ATOM 827 CG PRO A 229 12.024 3.484 -2.129 1.00 0.00 C ATOM 828 CD PRO A 229 10.995 4.458 -2.644 1.00 0.00 C ATOM 0 HA PRO A 229 11.501 2.595 -5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.605 1.584 -2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 229 13.301 2.958 -3.766 1.00 0.00 H new ATOM 0 HG2 PRO A 229 11.621 2.898 -1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 229 12.898 4.012 -1.748 1.00 0.00 H new ATOM 0 HD2 PRO A 229 10.189 4.602 -1.924 1.00 0.00 H new ATOM 0 HD3 PRO A 229 11.434 5.438 -2.831 1.00 0.00 H new ATOM 836 N SER A 230 9.727 0.909 -5.033 1.00 0.00 N ATOM 837 CA SER A 230 8.819 -0.237 -4.966 1.00 0.00 C ATOM 838 C SER A 230 9.410 -1.403 -4.164 1.00 0.00 C ATOM 839 O SER A 230 8.673 -2.268 -3.695 1.00 0.00 O ATOM 840 CB SER A 230 8.496 -0.702 -6.382 1.00 0.00 C ATOM 841 OG SER A 230 8.434 0.402 -7.269 1.00 0.00 O ATOM 0 H SER A 230 9.865 1.270 -5.977 1.00 0.00 H new ATOM 0 HA SER A 230 7.914 0.085 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 230 9.256 -1.406 -6.722 1.00 0.00 H new ATOM 0 HB3 SER A 230 7.544 -1.234 -6.388 1.00 0.00 H new ATOM 0 HG SER A 230 7.516 0.508 -7.595 1.00 0.00 H new ATOM 847 N ASN A 231 10.737 -1.417 -3.985 1.00 0.00 N ATOM 848 CA ASN A 231 11.388 -2.473 -3.214 1.00 0.00 C ATOM 849 C ASN A 231 10.946 -2.421 -1.753 1.00 0.00 C ATOM 850 O ASN A 231 11.001 -3.424 -1.040 1.00 0.00 O ATOM 851 CB ASN A 231 12.920 -2.414 -3.316 1.00 0.00 C ATOM 852 CG ASN A 231 13.485 -1.021 -3.142 1.00 0.00 C ATOM 853 OD1 ASN A 231 13.316 -0.165 -4.011 1.00 0.00 O ATOM 854 ND2 ASN A 231 14.156 -0.783 -2.026 1.00 0.00 N ATOM 0 H ASN A 231 11.373 -0.714 -4.362 1.00 0.00 H new ATOM 0 HA ASN A 231 11.075 -3.423 -3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 231 13.352 -3.069 -2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 231 13.226 -2.803 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 231 14.557 0.140 -1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 231 14.272 -1.522 -1.333 1.00 0.00 H new ATOM 861 N TYR A 232 10.474 -1.254 -1.324 1.00 0.00 N ATOM 862 CA TYR A 232 9.977 -1.082 0.037 1.00 0.00 C ATOM 863 C TYR A 232 8.454 -1.050 0.033 1.00 0.00 C ATOM 864 O TYR A 232 7.844 -0.449 0.913 1.00 0.00 O ATOM 865 CB TYR A 232 10.488 0.222 0.673 1.00 0.00 C ATOM 866 CG TYR A 232 11.977 0.289 0.893 1.00 0.00 C ATOM 867 CD1 TYR A 232 12.708 -0.839 1.229 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.648 1.499 0.783 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.064 -0.767 1.445 1.00 0.00 C ATOM 870 CE2 TYR A 232 14.010 1.580 0.995 1.00 0.00 C ATOM 871 CZ TYR A 232 14.713 0.442 1.324 1.00 0.00 C ATOM 872 OH TYR A 232 16.068 0.510 1.540 1.00 0.00 O ATOM 0 H TYR A 232 10.425 -0.413 -1.900 1.00 0.00 H new ATOM 0 HA TYR A 232 10.344 -1.925 0.623 1.00 0.00 H new ATOM 0 HB2 TYR A 232 10.193 1.057 0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 232 9.989 0.359 1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.205 -1.790 1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 232 12.096 2.391 0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 232 14.618 -1.655 1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.520 2.528 0.904 1.00 0.00 H new ATOM 0 HH TYR A 232 16.373 1.433 1.414 1.00 0.00 H new ATOM 882 N VAL A 233 7.832 -1.663 -0.971 1.00 0.00 N ATOM 883 CA VAL A 233 6.378 -1.656 -1.072 1.00 0.00 C ATOM 884 C VAL A 233 5.824 -3.063 -1.302 1.00 0.00 C ATOM 885 O VAL A 233 6.513 -3.941 -1.821 1.00 0.00 O ATOM 886 CB VAL A 233 5.902 -0.725 -2.217 1.00 0.00 C ATOM 887 CG1 VAL A 233 4.415 -0.440 -2.108 1.00 0.00 C ATOM 888 CG2 VAL A 233 6.689 0.578 -2.225 1.00 0.00 C ATOM 0 H VAL A 233 8.308 -2.166 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 233 5.997 -1.280 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 233 6.084 -1.243 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 233 4.109 0.215 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 233 3.860 -1.376 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 233 4.207 0.046 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 233 6.335 1.212 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 233 6.549 1.094 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 233 7.748 0.363 -2.368 1.00 0.00 H new ATOM 898 N THR A 234 4.569 -3.255 -0.908 1.00 0.00 N ATOM 899 CA THR A 234 3.876 -4.526 -1.047 1.00 0.00 C ATOM 900 C THR A 234 2.524 -4.303 -1.727 1.00 0.00 C ATOM 901 O THR A 234 1.963 -3.213 -1.662 1.00 0.00 O ATOM 902 CB THR A 234 3.675 -5.145 0.343 1.00 0.00 C ATOM 903 OG1 THR A 234 4.896 -5.182 1.053 1.00 0.00 O ATOM 904 CG2 THR A 234 3.133 -6.557 0.320 1.00 0.00 C ATOM 0 H THR A 234 4.001 -2.524 -0.479 1.00 0.00 H new ATOM 0 HA THR A 234 4.469 -5.205 -1.660 1.00 0.00 H new ATOM 0 HB THR A 234 2.939 -4.502 0.826 1.00 0.00 H new ATOM 0 HG1 THR A 234 4.748 -5.578 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 234 3.020 -6.920 1.342 1.00 0.00 H new ATOM 0 HG22 THR A 234 2.163 -6.566 -0.177 1.00 0.00 H new ATOM 0 HG23 THR A 234 3.824 -7.203 -0.221 1.00 0.00 H new ATOM 912 N GLY A 235 1.994 -5.338 -2.365 1.00 0.00 N ATOM 913 CA GLY A 235 0.702 -5.218 -3.013 1.00 0.00 C ATOM 914 C GLY A 235 -0.401 -5.685 -2.094 1.00 0.00 C ATOM 915 O GLY A 235 -0.435 -5.311 -0.920 1.00 0.00 O ATOM 0 H GLY A 235 2.433 -6.255 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 235 0.528 -4.181 -3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 235 0.693 -5.808 -3.929 1.00 0.00 H new ATOM 919 N LYS A 236 -1.289 -6.527 -2.598 1.00 0.00 N ATOM 920 CA LYS A 236 -2.364 -7.056 -1.775 1.00 0.00 C ATOM 921 C LYS A 236 -1.879 -8.327 -1.071 1.00 0.00 C ATOM 922 O LYS A 236 -2.559 -9.353 -1.054 1.00 0.00 O ATOM 923 CB LYS A 236 -3.615 -7.330 -2.621 1.00 0.00 C ATOM 924 CG LYS A 236 -4.867 -7.552 -1.790 1.00 0.00 C ATOM 925 CD LYS A 236 -6.093 -7.738 -2.663 1.00 0.00 C ATOM 926 CE LYS A 236 -7.335 -7.991 -1.825 1.00 0.00 C ATOM 927 NZ LYS A 236 -8.558 -8.108 -2.659 1.00 0.00 N ATOM 0 H LYS A 236 -1.287 -6.856 -3.563 1.00 0.00 H new ATOM 0 HA LYS A 236 -2.640 -6.318 -1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.780 -6.490 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -3.440 -8.208 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -4.734 -8.430 -1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -5.019 -6.701 -1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -6.242 -6.851 -3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -5.934 -8.575 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -7.202 -8.906 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -7.461 -7.178 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -9.381 -8.280 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -8.701 -7.226 -3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -8.450 -8.900 -3.324 1.00 0.00 H new