USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=13 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 Single : A 186 MET CE :methyl 145:sc= -3.03! (180deg=-6.55!) USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= -0.742 K(o=-0.74,f=-2.2!) USER MOD Single : A 192 THR OG1 : rot -29:sc= 0.171 USER MOD Single : A 195 HIS : no HD1:sc=-0.00195 X(o=-0.0019,f=-0.11) USER MOD Single : A 203 GLN : amide:sc= -0.34 K(o=-0.34,f=-3.2!) USER MOD Single : A 205 TYR OH : rot -62:sc= -0.0583! USER MOD Single : A 210 LYS NZ :NH3+ -120:sc= 0.472 (180deg=0) USER MOD Single : A 211 ASN : amide:sc= -3.28! C(o=-3.3!,f=-5.8!) USER MOD Single : A 214 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 221 LYS NZ :NH3+ -167:sc= 1.26 (180deg=0.98) 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 180:sc= 0 USER MOD Single : A 230 SER OG : rot -137:sc= 1.28 USER MOD Single : A 231 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 THR OG1 : rot 180:sc= 0 USER MOD Single : A 236 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0637) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.139 -0.281 -5.715 1.00 0.00 N ATOM 37 CA ILE A 182 -2.784 0.183 -4.387 1.00 0.00 C ATOM 38 C ILE A 182 -1.492 -0.478 -3.935 1.00 0.00 C ATOM 39 O ILE A 182 -1.281 -1.666 -4.183 1.00 0.00 O ATOM 40 CB ILE A 182 -3.900 -0.110 -3.364 1.00 0.00 C ATOM 41 CG1 ILE A 182 -4.345 -1.574 -3.446 1.00 0.00 C ATOM 42 CG2 ILE A 182 -5.086 0.814 -3.594 1.00 0.00 C ATOM 43 CD1 ILE A 182 -5.364 -1.958 -2.391 1.00 0.00 C ATOM 0 HA ILE A 182 -2.649 1.263 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 182 -3.502 0.072 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -4.768 -1.762 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -3.471 -2.217 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.865 0.595 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.767 1.850 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.477 0.660 -4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -5.633 -3.008 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -4.938 -1.802 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.255 -1.340 -2.504 1.00 0.00 H new ATOM 55 N VAL A 183 -0.627 0.283 -3.285 1.00 0.00 N ATOM 56 CA VAL A 183 0.637 -0.259 -2.819 1.00 0.00 C ATOM 57 C VAL A 183 0.793 -0.091 -1.309 1.00 0.00 C ATOM 58 O VAL A 183 0.658 1.004 -0.773 1.00 0.00 O ATOM 59 CB VAL A 183 1.837 0.365 -3.564 1.00 0.00 C ATOM 60 CG1 VAL A 183 1.734 0.069 -5.042 1.00 0.00 C ATOM 61 CG2 VAL A 183 1.904 1.863 -3.352 1.00 0.00 C ATOM 0 H VAL A 183 -0.775 1.269 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 183 0.626 -1.326 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 183 2.747 -0.077 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 183 2.583 0.512 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.735 -1.010 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 183 0.809 0.491 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.760 2.269 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.989 2.324 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 183 2.010 2.076 -2.288 1.00 0.00 H new ATOM 71 N VAL A 184 1.056 -1.191 -0.634 1.00 0.00 N ATOM 72 CA VAL A 184 1.210 -1.195 0.810 1.00 0.00 C ATOM 73 C VAL A 184 2.684 -1.077 1.207 1.00 0.00 C ATOM 74 O VAL A 184 3.466 -2.014 1.021 1.00 0.00 O ATOM 75 CB VAL A 184 0.614 -2.492 1.405 1.00 0.00 C ATOM 76 CG1 VAL A 184 0.511 -2.392 2.920 1.00 0.00 C ATOM 77 CG2 VAL A 184 -0.758 -2.785 0.793 1.00 0.00 C ATOM 0 H VAL A 184 1.169 -2.107 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 184 0.675 -0.333 1.208 1.00 0.00 H new ATOM 0 HB VAL A 184 1.283 -3.317 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 184 0.089 -3.315 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 184 1.503 -2.235 3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -0.134 -1.554 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -1.161 -3.701 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -1.435 -1.957 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -0.657 -2.906 -0.286 1.00 0.00 H new ATOM 87 N ALA A 185 3.056 0.072 1.767 1.00 0.00 N ATOM 88 CA ALA A 185 4.432 0.307 2.205 1.00 0.00 C ATOM 89 C ALA A 185 4.774 -0.602 3.374 1.00 0.00 C ATOM 90 O ALA A 185 4.045 -0.650 4.365 1.00 0.00 O ATOM 91 CB ALA A 185 4.622 1.760 2.601 1.00 0.00 C ATOM 0 H ALA A 185 2.424 0.856 1.929 1.00 0.00 H new ATOM 0 HA ALA A 185 5.102 0.082 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 185 5.651 1.917 2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.408 2.401 1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 185 3.943 2.006 3.418 1.00 0.00 H new ATOM 97 N MET A 186 5.868 -1.332 3.257 1.00 0.00 N ATOM 98 CA MET A 186 6.280 -2.247 4.312 1.00 0.00 C ATOM 99 C MET A 186 7.396 -1.664 5.155 1.00 0.00 C ATOM 100 O MET A 186 7.319 -1.664 6.384 1.00 0.00 O ATOM 101 CB MET A 186 6.720 -3.582 3.717 1.00 0.00 C ATOM 102 CG MET A 186 5.581 -4.392 3.120 1.00 0.00 C ATOM 103 SD MET A 186 4.518 -5.169 4.361 1.00 0.00 S ATOM 104 CE MET A 186 3.542 -3.782 4.943 1.00 0.00 C ATOM 0 H MET A 186 6.487 -1.311 2.446 1.00 0.00 H new ATOM 0 HA MET A 186 5.418 -2.408 4.960 1.00 0.00 H new ATOM 0 HB2 MET A 186 7.466 -3.397 2.944 1.00 0.00 H new ATOM 0 HB3 MET A 186 7.206 -4.173 4.493 1.00 0.00 H new ATOM 0 HG2 MET A 186 4.974 -3.741 2.490 1.00 0.00 H new ATOM 0 HG3 MET A 186 5.996 -5.165 2.473 1.00 0.00 H new ATOM 0 HE1 MET A 186 2.533 -4.120 5.178 1.00 0.00 H new ATOM 0 HE2 MET A 186 4.002 -3.364 5.838 1.00 0.00 H new ATOM 0 HE3 MET A 186 3.497 -3.018 4.167 1.00 0.00 H new ATOM 114 N TYR A 187 8.439 -1.180 4.499 1.00 0.00 N ATOM 115 CA TYR A 187 9.576 -0.611 5.211 1.00 0.00 C ATOM 116 C TYR A 187 9.508 0.907 5.228 1.00 0.00 C ATOM 117 O TYR A 187 8.985 1.531 4.304 1.00 0.00 O ATOM 118 CB TYR A 187 10.893 -1.056 4.578 1.00 0.00 C ATOM 119 CG TYR A 187 11.191 -2.535 4.722 1.00 0.00 C ATOM 120 CD1 TYR A 187 10.414 -3.351 5.537 1.00 0.00 C ATOM 121 CD2 TYR A 187 12.260 -3.109 4.049 1.00 0.00 C ATOM 122 CE1 TYR A 187 10.695 -4.696 5.674 1.00 0.00 C ATOM 123 CE2 TYR A 187 12.547 -4.455 4.183 1.00 0.00 C ATOM 124 CZ TYR A 187 11.761 -5.242 4.996 1.00 0.00 C ATOM 125 OH TYR A 187 12.049 -6.579 5.137 1.00 0.00 O ATOM 0 H TYR A 187 8.523 -1.169 3.483 1.00 0.00 H new ATOM 0 HA TYR A 187 9.533 -0.976 6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 187 10.876 -0.803 3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.708 -0.489 5.028 1.00 0.00 H new ATOM 0 HD1 TYR A 187 9.577 -2.926 6.071 1.00 0.00 H new ATOM 0 HD2 TYR A 187 12.878 -2.495 3.410 1.00 0.00 H new ATOM 0 HE1 TYR A 187 10.081 -5.317 6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 187 13.383 -4.887 3.653 1.00 0.00 H new ATOM 0 HH TYR A 187 12.831 -6.805 4.591 1.00 0.00 H new ATOM 135 N ASP A 188 10.059 1.490 6.279 1.00 0.00 N ATOM 136 CA ASP A 188 10.087 2.936 6.430 1.00 0.00 C ATOM 137 C ASP A 188 11.233 3.520 5.614 1.00 0.00 C ATOM 138 O ASP A 188 12.339 2.980 5.605 1.00 0.00 O ATOM 139 CB ASP A 188 10.236 3.306 7.911 1.00 0.00 C ATOM 140 CG ASP A 188 10.156 4.795 8.169 1.00 0.00 C ATOM 141 OD1 ASP A 188 11.068 5.530 7.748 1.00 0.00 O ATOM 142 OD2 ASP A 188 9.181 5.230 8.809 1.00 0.00 O ATOM 0 H ASP A 188 10.496 0.980 7.046 1.00 0.00 H new ATOM 0 HA ASP A 188 9.150 3.353 6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 188 9.457 2.803 8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 188 11.192 2.932 8.277 1.00 0.00 H new ATOM 147 N PHE A 189 10.963 4.619 4.932 1.00 0.00 N ATOM 148 CA PHE A 189 11.969 5.280 4.114 1.00 0.00 C ATOM 149 C PHE A 189 11.796 6.789 4.196 1.00 0.00 C ATOM 150 O PHE A 189 10.688 7.302 4.019 1.00 0.00 O ATOM 151 CB PHE A 189 11.858 4.808 2.661 1.00 0.00 C ATOM 152 CG PHE A 189 12.875 5.408 1.735 1.00 0.00 C ATOM 153 CD1 PHE A 189 14.220 5.108 1.871 1.00 0.00 C ATOM 154 CD2 PHE A 189 12.482 6.269 0.725 1.00 0.00 C ATOM 155 CE1 PHE A 189 15.155 5.655 1.013 1.00 0.00 C ATOM 156 CE2 PHE A 189 13.410 6.819 -0.135 1.00 0.00 C ATOM 157 CZ PHE A 189 14.747 6.512 0.008 1.00 0.00 C ATOM 0 H PHE A 189 10.051 5.076 4.928 1.00 0.00 H new ATOM 0 HA PHE A 189 12.959 5.021 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.957 3.723 2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.861 5.046 2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 189 14.542 4.439 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 189 11.436 6.513 0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 189 16.201 5.414 1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 189 13.090 7.489 -0.919 1.00 0.00 H new ATOM 0 HZ PHE A 189 15.475 6.941 -0.665 1.00 0.00 H new ATOM 167 N GLN A 190 12.886 7.494 4.468 1.00 0.00 N ATOM 168 CA GLN A 190 12.851 8.945 4.577 1.00 0.00 C ATOM 169 C GLN A 190 13.420 9.599 3.330 1.00 0.00 C ATOM 170 O GLN A 190 14.583 9.396 2.989 1.00 0.00 O ATOM 171 CB GLN A 190 13.630 9.408 5.816 1.00 0.00 C ATOM 172 CG GLN A 190 13.787 10.921 5.936 1.00 0.00 C ATOM 173 CD GLN A 190 12.463 11.642 6.083 1.00 0.00 C ATOM 174 OE1 GLN A 190 11.683 11.354 6.994 1.00 0.00 O ATOM 175 NE2 GLN A 190 12.197 12.580 5.188 1.00 0.00 N ATOM 0 H GLN A 190 13.807 7.083 4.617 1.00 0.00 H new ATOM 0 HA GLN A 190 11.809 9.249 4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 190 13.125 9.036 6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 190 14.620 8.953 5.798 1.00 0.00 H new ATOM 0 HG2 GLN A 190 14.416 11.149 6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 190 14.304 11.298 5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 190 12.870 12.787 4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 190 11.319 13.096 5.236 1.00 0.00 H new ATOM 184 N ALA A 191 12.597 10.409 2.677 1.00 0.00 N ATOM 185 CA ALA A 191 13.018 11.126 1.485 1.00 0.00 C ATOM 186 C ALA A 191 13.999 12.219 1.869 1.00 0.00 C ATOM 187 O ALA A 191 13.632 13.173 2.556 1.00 0.00 O ATOM 188 CB ALA A 191 11.819 11.729 0.758 1.00 0.00 C ATOM 0 H ALA A 191 11.632 10.585 2.955 1.00 0.00 H new ATOM 0 HA ALA A 191 13.504 10.422 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 191 12.161 12.260 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 191 11.134 10.934 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 191 11.304 12.425 1.421 1.00 0.00 H new ATOM 194 N THR A 192 15.242 12.089 1.430 1.00 0.00 N ATOM 195 CA THR A 192 16.253 13.086 1.742 1.00 0.00 C ATOM 196 C THR A 192 16.093 14.287 0.812 1.00 0.00 C ATOM 197 O THR A 192 16.720 15.331 1.000 1.00 0.00 O ATOM 198 CB THR A 192 17.663 12.483 1.640 1.00 0.00 C ATOM 199 OG1 THR A 192 18.644 13.416 2.067 1.00 0.00 O ATOM 200 CG2 THR A 192 18.037 12.031 0.245 1.00 0.00 C ATOM 0 H THR A 192 15.572 11.309 0.861 1.00 0.00 H new ATOM 0 HA THR A 192 16.118 13.423 2.770 1.00 0.00 H new ATOM 0 HB THR A 192 17.639 11.606 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 192 18.328 14.327 1.890 1.00 0.00 H new ATOM 0 HG21 THR A 192 19.045 11.617 0.255 1.00 0.00 H new ATOM 0 HG22 THR A 192 17.335 11.268 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 192 18.000 12.882 -0.435 1.00 0.00 H new ATOM 208 N GLU A 193 15.221 14.135 -0.180 1.00 0.00 N ATOM 209 CA GLU A 193 14.943 15.198 -1.128 1.00 0.00 C ATOM 210 C GLU A 193 13.439 15.502 -1.166 1.00 0.00 C ATOM 211 O GLU A 193 12.807 15.657 -0.121 1.00 0.00 O ATOM 212 CB GLU A 193 15.491 14.838 -2.519 1.00 0.00 C ATOM 213 CG GLU A 193 15.136 13.438 -3.001 1.00 0.00 C ATOM 214 CD GLU A 193 15.709 13.148 -4.369 1.00 0.00 C ATOM 215 OE1 GLU A 193 15.491 13.964 -5.289 1.00 0.00 O ATOM 216 OE2 GLU A 193 16.374 12.106 -4.528 1.00 0.00 O ATOM 0 H GLU A 193 14.694 13.278 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 193 15.453 16.105 -0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 193 15.114 15.562 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 193 16.576 14.938 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 193 15.510 12.703 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 193 14.052 13.329 -3.031 1.00 0.00 H new ATOM 223 N ALA A 194 12.870 15.587 -2.360 1.00 0.00 N ATOM 224 CA ALA A 194 11.446 15.880 -2.512 1.00 0.00 C ATOM 225 C ALA A 194 10.840 15.083 -3.657 1.00 0.00 C ATOM 226 O ALA A 194 9.618 14.943 -3.745 1.00 0.00 O ATOM 227 CB ALA A 194 11.230 17.370 -2.742 1.00 0.00 C ATOM 0 H ALA A 194 13.370 15.458 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 194 10.945 15.587 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 194 10.164 17.570 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 194 11.618 17.930 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 194 11.753 17.678 -3.647 1.00 0.00 H new ATOM 233 N HIS A 195 11.696 14.564 -4.530 1.00 0.00 N ATOM 234 CA HIS A 195 11.247 13.775 -5.670 1.00 0.00 C ATOM 235 C HIS A 195 10.658 12.468 -5.166 1.00 0.00 C ATOM 236 O HIS A 195 9.666 11.968 -5.701 1.00 0.00 O ATOM 237 CB HIS A 195 12.419 13.502 -6.613 1.00 0.00 C ATOM 238 CG HIS A 195 12.019 13.269 -8.038 1.00 0.00 C ATOM 239 ND1 HIS A 195 11.333 14.202 -8.785 1.00 0.00 N ATOM 240 CD2 HIS A 195 12.243 12.220 -8.865 1.00 0.00 C ATOM 241 CE1 HIS A 195 11.158 13.739 -10.010 1.00 0.00 C ATOM 242 NE2 HIS A 195 11.703 12.539 -10.090 1.00 0.00 N ATOM 0 H HIS A 195 12.708 14.676 -4.469 1.00 0.00 H new ATOM 0 HA HIS A 195 10.485 14.326 -6.221 1.00 0.00 H new ATOM 0 HB2 HIS A 195 13.107 14.347 -6.574 1.00 0.00 H new ATOM 0 HB3 HIS A 195 12.965 12.630 -6.253 1.00 0.00 H new ATOM 0 HD2 HIS A 195 12.752 11.302 -8.610 1.00 0.00 H new ATOM 0 HE1 HIS A 195 10.653 14.256 -10.813 1.00 0.00 H new ATOM 0 HE2 HIS A 195 11.721 11.947 -10.921 1.00 0.00 H new ATOM 251 N ASP A 196 11.273 11.946 -4.110 1.00 0.00 N ATOM 252 CA ASP A 196 10.824 10.716 -3.480 1.00 0.00 C ATOM 253 C ASP A 196 9.757 11.034 -2.448 1.00 0.00 C ATOM 254 O ASP A 196 9.669 12.165 -1.969 1.00 0.00 O ATOM 255 CB ASP A 196 11.987 9.990 -2.791 1.00 0.00 C ATOM 256 CG ASP A 196 13.044 9.501 -3.751 1.00 0.00 C ATOM 257 OD1 ASP A 196 12.892 9.703 -4.973 1.00 0.00 O ATOM 258 OD2 ASP A 196 14.034 8.908 -3.280 1.00 0.00 O ATOM 0 H ASP A 196 12.093 12.364 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 196 10.418 10.066 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 196 12.448 10.663 -2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 196 11.595 9.141 -2.232 1.00 0.00 H new ATOM 263 N LEU A 197 8.953 10.048 -2.100 1.00 0.00 N ATOM 264 CA LEU A 197 7.905 10.248 -1.116 1.00 0.00 C ATOM 265 C LEU A 197 8.220 9.487 0.169 1.00 0.00 C ATOM 266 O LEU A 197 8.995 8.528 0.163 1.00 0.00 O ATOM 267 CB LEU A 197 6.554 9.799 -1.683 1.00 0.00 C ATOM 268 CG LEU A 197 5.338 10.151 -0.825 1.00 0.00 C ATOM 269 CD1 LEU A 197 5.291 11.650 -0.558 1.00 0.00 C ATOM 270 CD2 LEU A 197 4.059 9.683 -1.500 1.00 0.00 C ATOM 0 H LEU A 197 9.004 9.104 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 197 7.851 11.311 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 197 6.425 10.246 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.578 8.718 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 197 5.427 9.637 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 197 4.420 11.883 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 197 6.196 11.954 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 197 5.224 12.186 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 197 3.203 9.941 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 197 3.961 10.169 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 197 4.095 8.602 -1.638 1.00 0.00 H new ATOM 282 N ARG A 198 7.606 9.919 1.266 1.00 0.00 N ATOM 283 CA ARG A 198 7.802 9.282 2.559 1.00 0.00 C ATOM 284 C ARG A 198 7.123 7.934 2.615 1.00 0.00 C ATOM 285 O ARG A 198 5.934 7.811 2.331 1.00 0.00 O ATOM 286 CB ARG A 198 7.244 10.153 3.678 1.00 0.00 C ATOM 287 CG ARG A 198 8.247 11.113 4.291 1.00 0.00 C ATOM 288 CD ARG A 198 9.441 10.376 4.891 1.00 0.00 C ATOM 289 NE ARG A 198 9.085 9.101 5.534 1.00 0.00 N ATOM 290 CZ ARG A 198 8.326 8.978 6.632 1.00 0.00 C ATOM 291 NH1 ARG A 198 7.825 10.054 7.231 1.00 0.00 N ATOM 292 NH2 ARG A 198 8.065 7.770 7.122 1.00 0.00 N ATOM 0 H ARG A 198 6.965 10.712 1.282 1.00 0.00 H new ATOM 0 HA ARG A 198 8.876 9.150 2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 198 6.403 10.727 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 198 6.853 9.506 4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 198 8.595 11.810 3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 198 7.758 11.705 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 198 10.172 10.185 4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 198 9.924 11.021 5.625 1.00 0.00 H new ATOM 0 HE ARG A 198 9.444 8.245 5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 198 8.017 10.983 6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 198 7.248 9.951 8.066 1.00 0.00 H new ATOM 0 HH21 ARG A 198 8.442 6.941 6.663 1.00 0.00 H new ATOM 0 HH22 ARG A 198 7.488 7.672 7.957 1.00 0.00 H new ATOM 306 N LEU A 199 7.882 6.936 3.011 1.00 0.00 N ATOM 307 CA LEU A 199 7.363 5.590 3.140 1.00 0.00 C ATOM 308 C LEU A 199 7.117 5.280 4.608 1.00 0.00 C ATOM 309 O LEU A 199 8.021 5.412 5.434 1.00 0.00 O ATOM 310 CB LEU A 199 8.343 4.593 2.527 1.00 0.00 C ATOM 311 CG LEU A 199 8.626 4.813 1.036 1.00 0.00 C ATOM 312 CD1 LEU A 199 9.482 3.703 0.462 1.00 0.00 C ATOM 313 CD2 LEU A 199 7.339 4.905 0.252 1.00 0.00 C ATOM 0 H LEU A 199 8.869 7.032 3.251 1.00 0.00 H new ATOM 0 HA LEU A 199 6.417 5.508 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 199 9.284 4.645 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 199 7.950 3.586 2.664 1.00 0.00 H new ATOM 0 HG LEU A 199 9.170 5.754 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 199 9.662 3.892 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 199 10.434 3.667 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 199 8.967 2.749 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 199 7.566 5.061 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 199 6.775 3.980 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 199 6.746 5.741 0.623 1.00 0.00 H new ATOM 325 N GLU A 200 5.891 4.896 4.931 1.00 0.00 N ATOM 326 CA GLU A 200 5.523 4.594 6.309 1.00 0.00 C ATOM 327 C GLU A 200 5.175 3.114 6.436 1.00 0.00 C ATOM 328 O GLU A 200 4.581 2.537 5.529 1.00 0.00 O ATOM 329 CB GLU A 200 4.326 5.459 6.717 1.00 0.00 C ATOM 330 CG GLU A 200 4.108 5.584 8.217 1.00 0.00 C ATOM 331 CD GLU A 200 4.983 6.643 8.849 1.00 0.00 C ATOM 332 OE1 GLU A 200 6.218 6.515 8.785 1.00 0.00 O ATOM 333 OE2 GLU A 200 4.434 7.609 9.412 1.00 0.00 O ATOM 0 H GLU A 200 5.133 4.786 4.258 1.00 0.00 H new ATOM 0 HA GLU A 200 6.362 4.814 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 200 4.458 6.457 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 200 3.425 5.042 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 200 3.062 5.821 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 200 4.309 4.623 8.690 1.00 0.00 H new ATOM 340 N ARG A 201 5.547 2.500 7.551 1.00 0.00 N ATOM 341 CA ARG A 201 5.269 1.084 7.768 1.00 0.00 C ATOM 342 C ARG A 201 3.772 0.824 7.918 1.00 0.00 C ATOM 343 O ARG A 201 3.164 1.178 8.928 1.00 0.00 O ATOM 344 CB ARG A 201 6.010 0.588 9.007 1.00 0.00 C ATOM 345 CG ARG A 201 7.519 0.749 8.918 1.00 0.00 C ATOM 346 CD ARG A 201 8.202 0.272 10.189 1.00 0.00 C ATOM 347 NE ARG A 201 7.884 -1.123 10.490 1.00 0.00 N ATOM 348 CZ ARG A 201 8.271 -1.748 11.600 1.00 0.00 C ATOM 349 NH1 ARG A 201 8.990 -1.100 12.509 1.00 0.00 N ATOM 350 NH2 ARG A 201 7.940 -3.017 11.792 1.00 0.00 N ATOM 0 H ARG A 201 6.040 2.957 8.318 1.00 0.00 H new ATOM 0 HA ARG A 201 5.619 0.537 6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 201 5.646 1.130 9.879 1.00 0.00 H new ATOM 0 HB3 ARG A 201 5.774 -0.464 9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 201 7.897 0.185 8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 201 7.765 1.796 8.741 1.00 0.00 H new ATOM 0 HD2 ARG A 201 9.281 0.384 10.085 1.00 0.00 H new ATOM 0 HD3 ARG A 201 7.896 0.902 11.024 1.00 0.00 H new ATOM 0 HE ARG A 201 7.334 -1.648 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 201 9.245 -0.124 12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 201 9.287 -1.578 13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 201 7.390 -3.512 11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 201 8.235 -3.498 12.642 1.00 0.00 H new ATOM 364 N GLY A 202 3.182 0.203 6.902 1.00 0.00 N ATOM 365 CA GLY A 202 1.764 -0.101 6.934 1.00 0.00 C ATOM 366 C GLY A 202 0.923 0.930 6.210 1.00 0.00 C ATOM 367 O GLY A 202 -0.308 0.864 6.238 1.00 0.00 O ATOM 0 H GLY A 202 3.663 -0.096 6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 202 1.597 -1.080 6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.435 -0.167 7.971 1.00 0.00 H new ATOM 371 N GLN A 203 1.579 1.886 5.559 1.00 0.00 N ATOM 372 CA GLN A 203 0.874 2.931 4.827 1.00 0.00 C ATOM 373 C GLN A 203 0.488 2.439 3.436 1.00 0.00 C ATOM 374 O GLN A 203 1.351 2.074 2.636 1.00 0.00 O ATOM 375 CB GLN A 203 1.754 4.171 4.710 1.00 0.00 C ATOM 376 CG GLN A 203 1.003 5.413 4.262 1.00 0.00 C ATOM 377 CD GLN A 203 0.190 6.044 5.374 1.00 0.00 C ATOM 378 OE1 GLN A 203 -0.645 5.391 6.002 1.00 0.00 O ATOM 379 NE2 GLN A 203 0.430 7.324 5.622 1.00 0.00 N ATOM 0 H GLN A 203 2.596 1.958 5.524 1.00 0.00 H new ATOM 0 HA GLN A 203 -0.034 3.185 5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.220 4.367 5.676 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.559 3.969 4.003 1.00 0.00 H new ATOM 0 HG2 GLN A 203 1.715 6.144 3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 203 0.340 5.153 3.437 1.00 0.00 H new ATOM 0 HE21 GLN A 203 1.131 7.826 5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -0.086 7.806 6.358 1.00 0.00 H new ATOM 388 N GLU A 204 -0.807 2.436 3.152 1.00 0.00 N ATOM 389 CA GLU A 204 -1.301 1.994 1.855 1.00 0.00 C ATOM 390 C GLU A 204 -1.459 3.185 0.919 1.00 0.00 C ATOM 391 O GLU A 204 -2.167 4.145 1.224 1.00 0.00 O ATOM 392 CB GLU A 204 -2.623 1.241 2.023 1.00 0.00 C ATOM 393 CG GLU A 204 -2.503 0.044 2.956 1.00 0.00 C ATOM 394 CD GLU A 204 -3.821 -0.647 3.219 1.00 0.00 C ATOM 395 OE1 GLU A 204 -4.850 -0.198 2.679 1.00 0.00 O ATOM 396 OE2 GLU A 204 -3.826 -1.635 3.979 1.00 0.00 O ATOM 0 H GLU A 204 -1.534 2.734 3.802 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.577 1.310 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -3.379 1.924 2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -2.970 0.902 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -1.804 -0.674 2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -2.078 0.373 3.904 1.00 0.00 H new ATOM 403 N TYR A 205 -0.760 3.128 -0.205 1.00 0.00 N ATOM 404 CA TYR A 205 -0.777 4.205 -1.185 1.00 0.00 C ATOM 405 C TYR A 205 -1.575 3.833 -2.418 1.00 0.00 C ATOM 406 O TYR A 205 -2.029 2.704 -2.575 1.00 0.00 O ATOM 407 CB TYR A 205 0.640 4.542 -1.644 1.00 0.00 C ATOM 408 CG TYR A 205 1.610 4.839 -0.531 1.00 0.00 C ATOM 409 CD1 TYR A 205 1.443 5.949 0.275 1.00 0.00 C ATOM 410 CD2 TYR A 205 2.697 4.011 -0.288 1.00 0.00 C ATOM 411 CE1 TYR A 205 2.328 6.232 1.289 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.589 4.287 0.729 1.00 0.00 C ATOM 413 CZ TYR A 205 3.399 5.399 1.515 1.00 0.00 C ATOM 414 OH TYR A 205 4.283 5.683 2.528 1.00 0.00 O ATOM 0 H TYR A 205 -0.168 2.339 -0.463 1.00 0.00 H new ATOM 0 HA TYR A 205 -1.239 5.060 -0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.025 3.707 -2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 205 0.596 5.405 -2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 205 0.603 6.606 0.106 1.00 0.00 H new ATOM 0 HD2 TYR A 205 2.847 3.137 -0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 205 2.182 7.106 1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 205 4.431 3.634 0.906 1.00 0.00 H new ATOM 0 HH TYR A 205 4.710 6.548 2.356 1.00 0.00 H new ATOM 424 N ILE A 206 -1.704 4.806 -3.299 1.00 0.00 N ATOM 425 CA ILE A 206 -2.407 4.643 -4.556 1.00 0.00 C ATOM 426 C ILE A 206 -1.499 5.159 -5.663 1.00 0.00 C ATOM 427 O ILE A 206 -1.310 6.366 -5.778 1.00 0.00 O ATOM 428 CB ILE A 206 -3.731 5.452 -4.580 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.450 5.420 -3.220 1.00 0.00 C ATOM 430 CG2 ILE A 206 -4.651 4.932 -5.670 1.00 0.00 C ATOM 431 CD1 ILE A 206 -3.953 6.462 -2.223 1.00 0.00 C ATOM 0 H ILE A 206 -1.320 5.741 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.654 3.590 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 206 -3.473 6.489 -4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.517 5.570 -3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.330 4.429 -2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -5.575 5.510 -5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -4.159 5.029 -6.638 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.880 3.883 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.512 6.370 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -2.893 6.301 -2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -4.098 7.460 -2.637 1.00 0.00 H new ATOM 443 N ILE A 207 -0.891 4.272 -6.448 1.00 0.00 N ATOM 444 CA ILE A 207 0.027 4.733 -7.478 1.00 0.00 C ATOM 445 C ILE A 207 -0.671 5.526 -8.578 1.00 0.00 C ATOM 446 O ILE A 207 -1.765 5.189 -9.039 1.00 0.00 O ATOM 447 CB ILE A 207 0.888 3.615 -8.104 1.00 0.00 C ATOM 448 CG1 ILE A 207 0.055 2.668 -8.948 1.00 0.00 C ATOM 449 CG2 ILE A 207 1.628 2.844 -7.029 1.00 0.00 C ATOM 450 CD1 ILE A 207 0.895 1.759 -9.810 1.00 0.00 C ATOM 0 H ILE A 207 -1.013 3.261 -6.392 1.00 0.00 H new ATOM 0 HA ILE A 207 0.705 5.398 -6.943 1.00 0.00 H new ATOM 0 HB ILE A 207 1.614 4.095 -8.760 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -0.573 2.063 -8.294 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -0.614 3.248 -9.584 1.00 0.00 H new ATOM 0 HG21 ILE A 207 2.229 2.061 -7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 207 2.279 3.522 -6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 207 0.909 2.394 -6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 207 0.245 1.105 -10.391 1.00 0.00 H new ATOM 0 HD12 ILE A 207 1.503 2.359 -10.487 1.00 0.00 H new ATOM 0 HD13 ILE A 207 1.545 1.155 -9.177 1.00 0.00 H new ATOM 462 N LEU A 208 0.007 6.584 -8.974 1.00 0.00 N ATOM 463 CA LEU A 208 -0.447 7.490 -10.006 1.00 0.00 C ATOM 464 C LEU A 208 0.101 7.030 -11.342 1.00 0.00 C ATOM 465 O LEU A 208 -0.591 7.043 -12.359 1.00 0.00 O ATOM 466 CB LEU A 208 0.082 8.897 -9.708 1.00 0.00 C ATOM 467 CG LEU A 208 0.315 9.202 -8.223 1.00 0.00 C ATOM 468 CD1 LEU A 208 1.200 10.424 -8.054 1.00 0.00 C ATOM 469 CD2 LEU A 208 -1.009 9.405 -7.509 1.00 0.00 C ATOM 0 H LEU A 208 0.910 6.843 -8.577 1.00 0.00 H new ATOM 0 HA LEU A 208 -1.537 7.503 -10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.021 9.037 -10.244 1.00 0.00 H new ATOM 0 HB3 LEU A 208 -0.624 9.626 -10.107 1.00 0.00 H new ATOM 0 HG LEU A 208 0.824 8.348 -7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 208 1.351 10.620 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 208 2.164 10.244 -8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 208 0.722 11.287 -8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 208 -0.825 9.620 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 208 -1.543 10.240 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 208 -1.611 8.500 -7.595 1.00 0.00 H new ATOM 481 N GLU A 209 1.369 6.630 -11.319 1.00 0.00 N ATOM 482 CA GLU A 209 2.064 6.167 -12.512 1.00 0.00 C ATOM 483 C GLU A 209 2.969 4.990 -12.166 1.00 0.00 C ATOM 484 O GLU A 209 3.376 4.832 -11.015 1.00 0.00 O ATOM 485 CB GLU A 209 2.920 7.298 -13.107 1.00 0.00 C ATOM 486 CG GLU A 209 2.231 8.655 -13.133 1.00 0.00 C ATOM 487 CD GLU A 209 3.108 9.749 -13.699 1.00 0.00 C ATOM 488 OE1 GLU A 209 4.197 9.437 -14.217 1.00 0.00 O ATOM 489 OE2 GLU A 209 2.698 10.923 -13.645 1.00 0.00 O ATOM 0 H GLU A 209 1.941 6.618 -10.474 1.00 0.00 H new ATOM 0 HA GLU A 209 1.318 5.855 -13.243 1.00 0.00 H new ATOM 0 HB2 GLU A 209 3.842 7.382 -12.531 1.00 0.00 H new ATOM 0 HB3 GLU A 209 3.203 7.027 -14.124 1.00 0.00 H new ATOM 0 HG2 GLU A 209 1.320 8.583 -13.727 1.00 0.00 H new ATOM 0 HG3 GLU A 209 1.931 8.924 -12.120 1.00 0.00 H new ATOM 496 N LYS A 210 3.302 4.184 -13.164 1.00 0.00 N ATOM 497 CA LYS A 210 4.184 3.048 -12.953 1.00 0.00 C ATOM 498 C LYS A 210 5.631 3.523 -13.019 1.00 0.00 C ATOM 499 O LYS A 210 6.428 3.218 -12.136 1.00 0.00 O ATOM 500 CB LYS A 210 3.926 1.948 -13.994 1.00 0.00 C ATOM 501 CG LYS A 210 4.851 0.739 -13.867 1.00 0.00 C ATOM 502 CD LYS A 210 4.753 0.076 -12.498 1.00 0.00 C ATOM 503 CE LYS A 210 3.387 -0.559 -12.264 1.00 0.00 C ATOM 504 NZ LYS A 210 3.291 -1.207 -10.927 1.00 0.00 N ATOM 0 H LYS A 210 2.976 4.296 -14.124 1.00 0.00 H new ATOM 0 HA LYS A 210 3.986 2.620 -11.970 1.00 0.00 H new ATOM 0 HB2 LYS A 210 2.893 1.612 -13.904 1.00 0.00 H new ATOM 0 HB3 LYS A 210 4.037 2.373 -14.991 1.00 0.00 H new ATOM 0 HG2 LYS A 210 4.602 0.011 -14.639 1.00 0.00 H new ATOM 0 HG3 LYS A 210 5.880 1.052 -14.044 1.00 0.00 H new ATOM 0 HD2 LYS A 210 5.527 -0.687 -12.409 1.00 0.00 H new ATOM 0 HD3 LYS A 210 4.945 0.817 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 210 2.613 0.204 -12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 210 3.195 -1.300 -13.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 3.089 -2.220 -11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 4.191 -1.091 -10.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 2.526 -0.763 -10.380 1.00 0.00 H new ATOM 518 N ASN A 211 5.942 4.288 -14.068 1.00 0.00 N ATOM 519 CA ASN A 211 7.284 4.841 -14.277 1.00 0.00 C ATOM 520 C ASN A 211 8.330 3.734 -14.382 1.00 0.00 C ATOM 521 O ASN A 211 8.280 2.910 -15.298 1.00 0.00 O ATOM 522 CB ASN A 211 7.653 5.818 -13.153 1.00 0.00 C ATOM 523 CG ASN A 211 6.840 7.102 -13.188 1.00 0.00 C ATOM 524 OD1 ASN A 211 6.919 7.921 -12.275 1.00 0.00 O ATOM 525 ND2 ASN A 211 6.064 7.297 -14.245 1.00 0.00 N ATOM 0 H ASN A 211 5.273 4.542 -14.795 1.00 0.00 H new ATOM 0 HA ASN A 211 7.272 5.386 -15.221 1.00 0.00 H new ATOM 0 HB2 ASN A 211 7.506 5.328 -12.191 1.00 0.00 H new ATOM 0 HB3 ASN A 211 8.712 6.064 -13.227 1.00 0.00 H new ATOM 0 HD21 ASN A 211 5.508 8.149 -14.319 1.00 0.00 H new ATOM 0 HD22 ASN A 211 6.023 6.595 -14.984 1.00 0.00 H new ATOM 532 N ASP A 212 9.269 3.710 -13.440 1.00 0.00 N ATOM 533 CA ASP A 212 10.314 2.696 -13.429 1.00 0.00 C ATOM 534 C ASP A 212 9.814 1.455 -12.705 1.00 0.00 C ATOM 535 O ASP A 212 8.830 1.513 -11.977 1.00 0.00 O ATOM 536 CB ASP A 212 11.579 3.235 -12.748 1.00 0.00 C ATOM 537 CG ASP A 212 12.731 2.257 -12.795 1.00 0.00 C ATOM 538 OD1 ASP A 212 13.185 1.932 -13.904 1.00 0.00 O ATOM 539 OD2 ASP A 212 13.178 1.805 -11.723 1.00 0.00 O ATOM 0 H ASP A 212 9.326 4.382 -12.675 1.00 0.00 H new ATOM 0 HA ASP A 212 10.564 2.435 -14.457 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.878 4.165 -13.231 1.00 0.00 H new ATOM 0 HB3 ASP A 212 11.353 3.474 -11.709 1.00 0.00 H new ATOM 544 N LEU A 213 10.487 0.336 -12.902 1.00 0.00 N ATOM 545 CA LEU A 213 10.093 -0.909 -12.254 1.00 0.00 C ATOM 546 C LEU A 213 10.389 -0.849 -10.761 1.00 0.00 C ATOM 547 O LEU A 213 9.704 -1.481 -9.956 1.00 0.00 O ATOM 548 CB LEU A 213 10.824 -2.111 -12.862 1.00 0.00 C ATOM 549 CG LEU A 213 10.618 -2.343 -14.367 1.00 0.00 C ATOM 550 CD1 LEU A 213 9.148 -2.207 -14.744 1.00 0.00 C ATOM 551 CD2 LEU A 213 11.467 -1.396 -15.193 1.00 0.00 C ATOM 0 H LEU A 213 11.307 0.260 -13.503 1.00 0.00 H new ATOM 0 HA LEU A 213 9.022 -1.033 -12.412 1.00 0.00 H new ATOM 0 HB2 LEU A 213 11.892 -1.991 -12.677 1.00 0.00 H new ATOM 0 HB3 LEU A 213 10.507 -3.009 -12.331 1.00 0.00 H new ATOM 0 HG LEU A 213 10.937 -3.362 -14.588 1.00 0.00 H new ATOM 0 HD11 LEU A 213 9.030 -2.376 -15.814 1.00 0.00 H new ATOM 0 HD12 LEU A 213 8.562 -2.943 -14.194 1.00 0.00 H new ATOM 0 HD13 LEU A 213 8.800 -1.205 -14.494 1.00 0.00 H new ATOM 0 HD21 LEU A 213 11.298 -1.586 -16.253 1.00 0.00 H new ATOM 0 HD22 LEU A 213 11.194 -0.366 -14.961 1.00 0.00 H new ATOM 0 HD23 LEU A 213 12.520 -1.554 -14.960 1.00 0.00 H new ATOM 563 N HIS A 214 11.421 -0.095 -10.408 1.00 0.00 N ATOM 564 CA HIS A 214 11.834 0.052 -9.011 1.00 0.00 C ATOM 565 C HIS A 214 11.399 1.397 -8.441 1.00 0.00 C ATOM 566 O HIS A 214 11.516 1.632 -7.236 1.00 0.00 O ATOM 567 CB HIS A 214 13.357 -0.091 -8.890 1.00 0.00 C ATOM 568 CG HIS A 214 13.869 -1.465 -9.198 1.00 0.00 C ATOM 569 ND1 HIS A 214 15.210 -1.763 -9.289 1.00 0.00 N ATOM 570 CD2 HIS A 214 13.210 -2.625 -9.427 1.00 0.00 C ATOM 571 CE1 HIS A 214 15.354 -3.047 -9.563 1.00 0.00 C ATOM 572 NE2 HIS A 214 14.155 -3.595 -9.652 1.00 0.00 N ATOM 0 H HIS A 214 11.993 0.429 -11.071 1.00 0.00 H new ATOM 0 HA HIS A 214 11.347 -0.737 -8.437 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.833 0.622 -9.564 1.00 0.00 H new ATOM 0 HB3 HIS A 214 13.657 0.178 -7.877 1.00 0.00 H new ATOM 0 HD2 HIS A 214 12.139 -2.762 -9.432 1.00 0.00 H new ATOM 0 HE1 HIS A 214 16.294 -3.563 -9.693 1.00 0.00 H new ATOM 0 HE2 HIS A 214 13.963 -4.576 -9.854 1.00 0.00 H new ATOM 581 N TRP A 215 10.914 2.284 -9.305 1.00 0.00 N ATOM 582 CA TRP A 215 10.480 3.607 -8.877 1.00 0.00 C ATOM 583 C TRP A 215 9.102 3.937 -9.417 1.00 0.00 C ATOM 584 O TRP A 215 8.970 4.424 -10.543 1.00 0.00 O ATOM 585 CB TRP A 215 11.464 4.678 -9.351 1.00 0.00 C ATOM 586 CG TRP A 215 12.804 4.579 -8.711 1.00 0.00 C ATOM 587 CD1 TRP A 215 13.874 3.864 -9.149 1.00 0.00 C ATOM 588 CD2 TRP A 215 13.198 5.188 -7.488 1.00 0.00 C ATOM 589 NE1 TRP A 215 14.925 4.014 -8.279 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.532 4.821 -7.245 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.546 6.014 -6.580 1.00 0.00 C ATOM 592 CZ2 TRP A 215 15.229 5.256 -6.123 1.00 0.00 C ATOM 593 CZ3 TRP A 215 13.232 6.448 -5.466 1.00 0.00 C ATOM 594 CH2 TRP A 215 14.564 6.067 -5.242 1.00 0.00 C ATOM 0 H TRP A 215 10.812 2.109 -10.305 1.00 0.00 H new ATOM 0 HA TRP A 215 10.443 3.596 -7.788 1.00 0.00 H new ATOM 0 HB2 TRP A 215 11.580 4.600 -10.432 1.00 0.00 H new ATOM 0 HB3 TRP A 215 11.044 5.663 -9.145 1.00 0.00 H new ATOM 0 HD1 TRP A 215 13.894 3.266 -10.048 1.00 0.00 H new ATOM 0 HE1 TRP A 215 15.848 3.593 -8.385 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.521 6.310 -6.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 16.255 4.966 -5.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 12.737 7.092 -4.754 1.00 0.00 H new ATOM 0 HH2 TRP A 215 15.074 6.420 -4.358 1.00 0.00 H new ATOM 605 N TRP A 216 8.080 3.706 -8.610 1.00 0.00 N ATOM 606 CA TRP A 216 6.718 4.017 -9.018 1.00 0.00 C ATOM 607 C TRP A 216 6.323 5.365 -8.441 1.00 0.00 C ATOM 608 O TRP A 216 7.028 5.914 -7.599 1.00 0.00 O ATOM 609 CB TRP A 216 5.713 2.959 -8.529 1.00 0.00 C ATOM 610 CG TRP A 216 6.056 1.546 -8.896 1.00 0.00 C ATOM 611 CD1 TRP A 216 6.927 1.121 -9.850 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.489 0.370 -8.323 1.00 0.00 C ATOM 613 NE1 TRP A 216 6.960 -0.251 -9.881 1.00 0.00 N ATOM 614 CE2 TRP A 216 6.080 -0.736 -8.957 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.541 0.149 -7.330 1.00 0.00 C ATOM 616 CZ2 TRP A 216 5.755 -2.045 -8.625 1.00 0.00 C ATOM 617 CZ3 TRP A 216 4.217 -1.149 -6.999 1.00 0.00 C ATOM 618 CH2 TRP A 216 4.821 -2.234 -7.644 1.00 0.00 C ATOM 0 H TRP A 216 8.165 3.307 -7.675 1.00 0.00 H new ATOM 0 HA TRP A 216 6.693 4.032 -10.108 1.00 0.00 H new ATOM 0 HB2 TRP A 216 5.634 3.028 -7.444 1.00 0.00 H new ATOM 0 HB3 TRP A 216 4.730 3.197 -8.936 1.00 0.00 H new ATOM 0 HD1 TRP A 216 7.508 1.768 -10.490 1.00 0.00 H new ATOM 0 HE1 TRP A 216 7.547 -0.816 -10.495 1.00 0.00 H new ATOM 0 HE3 TRP A 216 4.067 0.979 -6.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 6.222 -2.882 -9.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 3.484 -1.332 -6.228 1.00 0.00 H new ATOM 0 HH2 TRP A 216 4.545 -3.239 -7.362 1.00 0.00 H new ATOM 629 N ARG A 217 5.175 5.869 -8.850 1.00 0.00 N ATOM 630 CA ARG A 217 4.671 7.122 -8.319 1.00 0.00 C ATOM 631 C ARG A 217 3.344 6.848 -7.662 1.00 0.00 C ATOM 632 O ARG A 217 2.460 6.311 -8.303 1.00 0.00 O ATOM 633 CB ARG A 217 4.506 8.180 -9.406 1.00 0.00 C ATOM 634 CG ARG A 217 5.706 9.097 -9.528 1.00 0.00 C ATOM 635 CD ARG A 217 5.282 10.552 -9.633 1.00 0.00 C ATOM 636 NE ARG A 217 6.419 11.426 -9.916 1.00 0.00 N ATOM 637 CZ ARG A 217 6.967 11.567 -11.123 1.00 0.00 C ATOM 638 NH1 ARG A 217 6.443 10.945 -12.172 1.00 0.00 N ATOM 639 NH2 ARG A 217 8.034 12.343 -11.280 1.00 0.00 N ATOM 0 H ARG A 217 4.574 5.431 -9.548 1.00 0.00 H new ATOM 0 HA ARG A 217 5.390 7.516 -7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 217 4.334 7.686 -10.363 1.00 0.00 H new ATOM 0 HB3 ARG A 217 3.620 8.777 -9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 217 6.355 8.967 -8.662 1.00 0.00 H new ATOM 0 HG3 ARG A 217 6.289 8.822 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 217 4.536 10.658 -10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 217 4.808 10.861 -8.702 1.00 0.00 H new ATOM 0 HE ARG A 217 6.817 11.960 -9.143 1.00 0.00 H new ATOM 0 HH11 ARG A 217 5.618 10.357 -12.056 1.00 0.00 H new ATOM 0 HH12 ARG A 217 6.865 11.056 -13.094 1.00 0.00 H new ATOM 0 HH21 ARG A 217 8.433 12.830 -10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 217 8.454 12.452 -12.203 1.00 0.00 H new ATOM 653 N ALA A 218 3.211 7.178 -6.388 1.00 0.00 N ATOM 654 CA ALA A 218 1.967 6.913 -5.676 1.00 0.00 C ATOM 655 C ALA A 218 1.538 8.085 -4.823 1.00 0.00 C ATOM 656 O ALA A 218 2.334 8.964 -4.516 1.00 0.00 O ATOM 657 CB ALA A 218 2.108 5.672 -4.813 1.00 0.00 C ATOM 0 H ALA A 218 3.938 7.625 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 218 1.194 6.750 -6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.171 5.486 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.346 4.815 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 218 2.908 5.822 -4.088 1.00 0.00 H new ATOM 663 N ARG A 219 0.271 8.074 -4.448 1.00 0.00 N ATOM 664 CA ARG A 219 -0.312 9.123 -3.633 1.00 0.00 C ATOM 665 C ARG A 219 -0.455 8.649 -2.193 1.00 0.00 C ATOM 666 O ARG A 219 -0.967 7.556 -1.936 1.00 0.00 O ATOM 667 CB ARG A 219 -1.692 9.484 -4.191 1.00 0.00 C ATOM 668 CG ARG A 219 -2.044 10.962 -4.140 1.00 0.00 C ATOM 669 CD ARG A 219 -2.393 11.417 -2.726 1.00 0.00 C ATOM 670 NE ARG A 219 -3.356 10.530 -2.058 1.00 0.00 N ATOM 671 CZ ARG A 219 -4.617 10.330 -2.457 1.00 0.00 C ATOM 672 NH1 ARG A 219 -5.094 10.950 -3.525 1.00 0.00 N ATOM 673 NH2 ARG A 219 -5.403 9.504 -1.786 1.00 0.00 N ATOM 0 H ARG A 219 -0.384 7.334 -4.702 1.00 0.00 H new ATOM 0 HA ARG A 219 0.338 9.998 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -1.746 9.149 -5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -2.448 8.928 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -1.204 11.548 -4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -2.887 11.157 -4.802 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -1.481 11.468 -2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -2.804 12.426 -2.766 1.00 0.00 H new ATOM 0 HE ARG A 219 -3.039 10.029 -1.228 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -4.498 11.588 -4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -6.057 10.790 -3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.048 9.018 -0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -6.364 9.353 -2.092 1.00 0.00 H new ATOM 687 N ASP A 220 -0.014 9.484 -1.272 1.00 0.00 N ATOM 688 CA ASP A 220 -0.097 9.193 0.149 1.00 0.00 C ATOM 689 C ASP A 220 -1.099 10.124 0.806 1.00 0.00 C ATOM 690 O ASP A 220 -2.105 9.686 1.367 1.00 0.00 O ATOM 691 CB ASP A 220 1.271 9.387 0.818 1.00 0.00 C ATOM 692 CG ASP A 220 1.268 9.092 2.306 1.00 0.00 C ATOM 693 OD1 ASP A 220 0.290 8.501 2.801 1.00 0.00 O ATOM 694 OD2 ASP A 220 2.257 9.436 2.979 1.00 0.00 O ATOM 0 H ASP A 220 0.413 10.385 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 220 -0.414 8.157 0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 220 2.000 8.740 0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 220 1.600 10.414 0.661 1.00 0.00 H new ATOM 699 N LYS A 221 -0.799 11.413 0.758 1.00 0.00 N ATOM 700 CA LYS A 221 -1.652 12.406 1.378 1.00 0.00 C ATOM 701 C LYS A 221 -2.704 12.976 0.429 1.00 0.00 C ATOM 702 O LYS A 221 -3.814 12.449 0.339 1.00 0.00 O ATOM 703 CB LYS A 221 -0.836 13.549 2.008 1.00 0.00 C ATOM 704 CG LYS A 221 0.625 13.644 1.557 1.00 0.00 C ATOM 705 CD LYS A 221 1.506 12.608 2.237 1.00 0.00 C ATOM 706 CE LYS A 221 1.461 12.730 3.752 1.00 0.00 C ATOM 707 NZ LYS A 221 2.243 11.652 4.419 1.00 0.00 N ATOM 0 H LYS A 221 0.028 11.792 0.296 1.00 0.00 H new ATOM 0 HA LYS A 221 -2.183 11.875 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -1.330 14.493 1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -0.856 13.432 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 221 0.679 13.511 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 221 1.006 14.642 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 221 1.184 11.609 1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 221 2.534 12.725 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 221 1.855 13.702 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 221 0.425 12.689 4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 2.013 11.633 5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 2.003 10.734 3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 3.260 11.835 4.297 1.00 0.00 H new ATOM 721 N TYR A 222 -2.376 14.090 -0.233 1.00 0.00 N ATOM 722 CA TYR A 222 -3.335 14.758 -1.111 1.00 0.00 C ATOM 723 C TYR A 222 -2.675 15.614 -2.202 1.00 0.00 C ATOM 724 O TYR A 222 -3.162 16.705 -2.510 1.00 0.00 O ATOM 725 CB TYR A 222 -4.240 15.640 -0.245 1.00 0.00 C ATOM 726 CG TYR A 222 -3.476 16.410 0.818 1.00 0.00 C ATOM 727 CD1 TYR A 222 -2.659 17.484 0.480 1.00 0.00 C ATOM 728 CD2 TYR A 222 -3.549 16.042 2.155 1.00 0.00 C ATOM 729 CE1 TYR A 222 -1.941 18.166 1.444 1.00 0.00 C ATOM 730 CE2 TYR A 222 -2.836 16.723 3.124 1.00 0.00 C ATOM 731 CZ TYR A 222 -2.033 17.782 2.763 1.00 0.00 C ATOM 732 OH TYR A 222 -1.314 18.456 3.724 1.00 0.00 O ATOM 0 H TYR A 222 -1.463 14.542 -0.177 1.00 0.00 H new ATOM 0 HA TYR A 222 -3.901 13.985 -1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -4.771 16.345 -0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -4.993 15.016 0.237 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -2.585 17.790 -0.553 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -4.174 15.209 2.443 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -1.310 18.997 1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -2.908 16.426 4.160 1.00 0.00 H new ATOM 0 HH TYR A 222 -1.492 18.061 4.603 1.00 0.00 H new ATOM 742 N GLY A 223 -1.594 15.141 -2.804 1.00 0.00 N ATOM 743 CA GLY A 223 -0.963 15.924 -3.860 1.00 0.00 C ATOM 744 C GLY A 223 0.542 16.038 -3.726 1.00 0.00 C ATOM 745 O GLY A 223 1.254 16.096 -4.731 1.00 0.00 O ATOM 0 H GLY A 223 -1.146 14.250 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -1.199 15.472 -4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -1.394 16.925 -3.863 1.00 0.00 H new ATOM 749 N SER A 224 1.034 16.060 -2.496 1.00 0.00 N ATOM 750 CA SER A 224 2.471 16.153 -2.250 1.00 0.00 C ATOM 751 C SER A 224 3.084 14.760 -2.343 1.00 0.00 C ATOM 752 O SER A 224 3.702 14.272 -1.395 1.00 0.00 O ATOM 753 CB SER A 224 2.719 16.746 -0.862 1.00 0.00 C ATOM 754 OG SER A 224 2.000 17.959 -0.689 1.00 0.00 O ATOM 0 H SER A 224 0.463 16.015 -1.652 1.00 0.00 H new ATOM 0 HA SER A 224 2.932 16.801 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 224 2.419 16.029 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 224 3.785 16.929 -0.726 1.00 0.00 H new ATOM 0 HG SER A 224 2.174 18.317 0.206 1.00 0.00 H new ATOM 760 N GLU A 225 2.850 14.110 -3.477 1.00 0.00 N ATOM 761 CA GLU A 225 3.310 12.747 -3.702 1.00 0.00 C ATOM 762 C GLU A 225 4.411 12.692 -4.760 1.00 0.00 C ATOM 763 O GLU A 225 4.763 13.713 -5.354 1.00 0.00 O ATOM 764 CB GLU A 225 2.120 11.894 -4.136 1.00 0.00 C ATOM 765 CG GLU A 225 0.792 12.338 -3.539 1.00 0.00 C ATOM 766 CD GLU A 225 0.815 12.504 -2.035 1.00 0.00 C ATOM 767 OE1 GLU A 225 1.459 11.694 -1.355 1.00 0.00 O ATOM 768 OE2 GLU A 225 0.156 13.436 -1.536 1.00 0.00 O ATOM 0 H GLU A 225 2.338 14.512 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 225 3.733 12.362 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 225 2.045 11.919 -5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 225 2.306 10.858 -3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 225 0.500 13.285 -3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 225 0.026 11.608 -3.802 1.00 0.00 H new ATOM 775 N GLY A 226 4.949 11.495 -5.004 1.00 0.00 N ATOM 776 CA GLY A 226 6.000 11.350 -5.996 1.00 0.00 C ATOM 777 C GLY A 226 6.546 9.936 -6.105 1.00 0.00 C ATOM 778 O GLY A 226 5.805 8.963 -5.944 1.00 0.00 O ATOM 0 H GLY A 226 4.677 10.631 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 226 5.615 11.657 -6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.817 12.028 -5.748 1.00 0.00 H new ATOM 782 N TYR A 227 7.846 9.837 -6.406 1.00 0.00 N ATOM 783 CA TYR A 227 8.539 8.552 -6.566 1.00 0.00 C ATOM 784 C TYR A 227 8.564 7.735 -5.279 1.00 0.00 C ATOM 785 O TYR A 227 8.591 8.281 -4.176 1.00 0.00 O ATOM 786 CB TYR A 227 9.992 8.776 -7.009 1.00 0.00 C ATOM 787 CG TYR A 227 10.232 8.744 -8.503 1.00 0.00 C ATOM 788 CD1 TYR A 227 9.182 8.693 -9.411 1.00 0.00 C ATOM 789 CD2 TYR A 227 11.528 8.760 -9.003 1.00 0.00 C ATOM 790 CE1 TYR A 227 9.419 8.657 -10.771 1.00 0.00 C ATOM 791 CE2 TYR A 227 11.772 8.723 -10.361 1.00 0.00 C ATOM 792 CZ TYR A 227 10.715 8.672 -11.240 1.00 0.00 C ATOM 793 OH TYR A 227 10.961 8.634 -12.594 1.00 0.00 O ATOM 0 H TYR A 227 8.449 10.648 -6.546 1.00 0.00 H new ATOM 0 HA TYR A 227 7.981 8.000 -7.322 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.325 9.741 -6.626 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.617 8.015 -6.542 1.00 0.00 H new ATOM 0 HD1 TYR A 227 8.165 8.681 -9.048 1.00 0.00 H new ATOM 0 HD2 TYR A 227 12.360 8.802 -8.316 1.00 0.00 H new ATOM 0 HE1 TYR A 227 8.592 8.617 -11.464 1.00 0.00 H new ATOM 0 HE2 TYR A 227 12.786 8.734 -10.731 1.00 0.00 H new ATOM 0 HH TYR A 227 11.928 8.653 -12.751 1.00 0.00 H new ATOM 803 N ILE A 228 8.590 6.417 -5.439 1.00 0.00 N ATOM 804 CA ILE A 228 8.644 5.494 -4.316 1.00 0.00 C ATOM 805 C ILE A 228 9.455 4.269 -4.668 1.00 0.00 C ATOM 806 O ILE A 228 9.160 3.586 -5.654 1.00 0.00 O ATOM 807 CB ILE A 228 7.240 4.997 -3.893 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.449 6.101 -3.200 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.324 3.783 -2.981 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.296 6.604 -4.017 1.00 0.00 C ATOM 0 H ILE A 228 8.574 5.960 -6.351 1.00 0.00 H new ATOM 0 HA ILE A 228 9.100 6.051 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 228 6.721 4.708 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 228 6.075 5.727 -2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 228 7.117 6.932 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.319 3.464 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 228 7.832 2.971 -3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 228 7.881 4.042 -2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.775 7.388 -3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 228 5.666 7.007 -4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 228 4.608 5.783 -4.219 1.00 0.00 H new ATOM 822 N PRO A 229 10.457 3.934 -3.846 1.00 0.00 N ATOM 823 CA PRO A 229 11.243 2.743 -4.067 1.00 0.00 C ATOM 824 C PRO A 229 10.407 1.528 -3.725 1.00 0.00 C ATOM 825 O PRO A 229 10.299 1.165 -2.551 1.00 0.00 O ATOM 826 CB PRO A 229 12.399 2.840 -3.073 1.00 0.00 C ATOM 827 CG PRO A 229 12.292 4.195 -2.443 1.00 0.00 C ATOM 828 CD PRO A 229 10.869 4.651 -2.631 1.00 0.00 C ATOM 0 HA PRO A 229 11.584 2.657 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.333 2.054 -2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 229 13.358 2.719 -3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 229 12.547 4.150 -1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 229 12.987 4.894 -2.909 1.00 0.00 H new ATOM 0 HD2 PRO A 229 10.244 4.391 -1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 229 10.804 5.732 -2.757 1.00 0.00 H new ATOM 836 N SER A 230 9.800 0.919 -4.733 1.00 0.00 N ATOM 837 CA SER A 230 8.954 -0.258 -4.543 1.00 0.00 C ATOM 838 C SER A 230 9.689 -1.365 -3.767 1.00 0.00 C ATOM 839 O SER A 230 9.076 -2.321 -3.303 1.00 0.00 O ATOM 840 CB SER A 230 8.511 -0.776 -5.906 1.00 0.00 C ATOM 841 OG SER A 230 8.338 0.305 -6.809 1.00 0.00 O ATOM 0 H SER A 230 9.877 1.223 -5.704 1.00 0.00 H new ATOM 0 HA SER A 230 8.085 0.031 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 230 9.254 -1.471 -6.298 1.00 0.00 H new ATOM 0 HB3 SER A 230 7.577 -1.329 -5.807 1.00 0.00 H new ATOM 0 HG SER A 230 7.514 0.174 -7.322 1.00 0.00 H new ATOM 847 N ASN A 231 11.003 -1.206 -3.598 1.00 0.00 N ATOM 848 CA ASN A 231 11.805 -2.163 -2.848 1.00 0.00 C ATOM 849 C ASN A 231 11.403 -2.162 -1.377 1.00 0.00 C ATOM 850 O ASN A 231 11.664 -3.118 -0.648 1.00 0.00 O ATOM 851 CB ASN A 231 13.298 -1.856 -2.988 1.00 0.00 C ATOM 852 CG ASN A 231 13.787 -2.085 -4.404 1.00 0.00 C ATOM 853 OD1 ASN A 231 13.669 -3.188 -4.938 1.00 0.00 O ATOM 854 ND2 ASN A 231 14.338 -1.051 -5.018 1.00 0.00 N ATOM 0 H ASN A 231 11.532 -0.419 -3.974 1.00 0.00 H new ATOM 0 HA ASN A 231 11.619 -3.154 -3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 231 13.485 -0.821 -2.701 1.00 0.00 H new ATOM 0 HB3 ASN A 231 13.865 -2.485 -2.301 1.00 0.00 H new ATOM 0 HD21 ASN A 231 14.685 -1.150 -5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 231 14.416 -0.155 -4.538 1.00 0.00 H new ATOM 861 N TYR A 232 10.753 -1.085 -0.955 1.00 0.00 N ATOM 862 CA TYR A 232 10.293 -0.949 0.419 1.00 0.00 C ATOM 863 C TYR A 232 8.767 -0.975 0.467 1.00 0.00 C ATOM 864 O TYR A 232 8.174 -0.936 1.545 1.00 0.00 O ATOM 865 CB TYR A 232 10.785 0.374 1.033 1.00 0.00 C ATOM 866 CG TYR A 232 12.292 0.495 1.188 1.00 0.00 C ATOM 867 CD1 TYR A 232 13.137 0.482 0.084 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.870 0.623 2.446 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.508 0.587 0.231 1.00 0.00 C ATOM 870 CE2 TYR A 232 14.241 0.731 2.600 1.00 0.00 C ATOM 871 CZ TYR A 232 15.054 0.710 1.489 1.00 0.00 C ATOM 872 OH TYR A 232 16.418 0.810 1.638 1.00 0.00 O ATOM 0 H TYR A 232 10.532 -0.287 -1.551 1.00 0.00 H new ATOM 0 HA TYR A 232 10.698 -1.783 0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 232 10.433 1.197 0.412 1.00 0.00 H new ATOM 0 HB3 TYR A 232 10.324 0.494 2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.715 0.388 -0.906 1.00 0.00 H new ATOM 0 HD2 TYR A 232 12.236 0.638 3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 232 15.149 0.573 -0.638 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.671 0.831 3.586 1.00 0.00 H new ATOM 0 HH TYR A 232 16.638 0.891 2.589 1.00 0.00 H new ATOM 882 N VAL A 233 8.135 -1.012 -0.705 1.00 0.00 N ATOM 883 CA VAL A 233 6.676 -1.006 -0.789 1.00 0.00 C ATOM 884 C VAL A 233 6.145 -2.112 -1.701 1.00 0.00 C ATOM 885 O VAL A 233 6.416 -2.128 -2.898 1.00 0.00 O ATOM 886 CB VAL A 233 6.165 0.355 -1.315 1.00 0.00 C ATOM 887 CG1 VAL A 233 4.645 0.384 -1.388 1.00 0.00 C ATOM 888 CG2 VAL A 233 6.676 1.490 -0.443 1.00 0.00 C ATOM 0 H VAL A 233 8.609 -1.046 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 233 6.308 -1.182 0.222 1.00 0.00 H new ATOM 0 HB VAL A 233 6.552 0.489 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 233 4.317 1.354 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 233 4.298 -0.400 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 233 4.230 0.219 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 233 6.306 2.440 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 233 6.323 1.351 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 233 7.766 1.494 -0.453 1.00 0.00 H new ATOM 898 N THR A 234 5.347 -3.008 -1.136 1.00 0.00 N ATOM 899 CA THR A 234 4.738 -4.083 -1.909 1.00 0.00 C ATOM 900 C THR A 234 3.455 -3.552 -2.550 1.00 0.00 C ATOM 901 O THR A 234 3.024 -2.444 -2.228 1.00 0.00 O ATOM 902 CB THR A 234 4.455 -5.289 -0.993 1.00 0.00 C ATOM 903 OG1 THR A 234 4.101 -6.442 -1.744 1.00 0.00 O ATOM 904 CG2 THR A 234 3.345 -5.049 0.014 1.00 0.00 C ATOM 0 H THR A 234 5.106 -3.012 -0.145 1.00 0.00 H new ATOM 0 HA THR A 234 5.412 -4.420 -2.696 1.00 0.00 H new ATOM 0 HB THR A 234 5.390 -5.441 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 234 3.930 -7.190 -1.134 1.00 0.00 H new ATOM 0 HG21 THR A 234 3.205 -5.943 0.622 1.00 0.00 H new ATOM 0 HG22 THR A 234 3.613 -4.211 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 234 2.419 -4.820 -0.513 1.00 0.00 H new ATOM 912 N GLY A 235 2.830 -4.332 -3.429 1.00 0.00 N ATOM 913 CA GLY A 235 1.586 -3.894 -4.045 1.00 0.00 C ATOM 914 C GLY A 235 0.452 -4.015 -3.057 1.00 0.00 C ATOM 915 O GLY A 235 0.447 -3.339 -2.039 1.00 0.00 O ATOM 0 H GLY A 235 3.158 -5.252 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 235 1.680 -2.861 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 235 1.376 -4.497 -4.928 1.00 0.00 H new ATOM 919 N LYS A 236 -0.498 -4.894 -3.297 1.00 0.00 N ATOM 920 CA LYS A 236 -1.571 -5.055 -2.332 1.00 0.00 C ATOM 921 C LYS A 236 -1.311 -6.249 -1.422 1.00 0.00 C ATOM 922 O LYS A 236 -2.177 -7.106 -1.250 1.00 0.00 O ATOM 923 CB LYS A 236 -2.953 -5.150 -2.992 1.00 0.00 C ATOM 924 CG LYS A 236 -2.970 -5.780 -4.378 1.00 0.00 C ATOM 925 CD LYS A 236 -2.912 -4.717 -5.466 1.00 0.00 C ATOM 926 CE LYS A 236 -3.052 -5.320 -6.857 1.00 0.00 C ATOM 927 NZ LYS A 236 -1.952 -6.266 -7.166 1.00 0.00 N ATOM 0 H LYS A 236 -0.553 -5.491 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 236 -1.582 -4.152 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.610 -5.727 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -3.374 -4.147 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -2.123 -6.458 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -3.874 -6.378 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -3.707 -3.989 -5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.967 -4.178 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -4.008 -5.838 -6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -3.063 -4.522 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -2.028 -6.576 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -1.037 -5.794 -7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -2.019 -7.093 -6.539 1.00 0.00 H new