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 Set 1.1: A 211 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Set 1.2: A 227 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -134:sc= -0.627 (180deg=-2.49) USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= -0.836 X(o=-0.84,f=-0.87) USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 203 GLN : amide:sc= -0.0221 X(o=-0.022,f=-0.022) USER MOD Single : A 205 TYR OH : rot 165:sc= 0 USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 HIS :FLIP no HD1:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 221 LYS NZ :NH3+ 167:sc= -0.055 (180deg=-0.184) 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 230 SER OG : rot 131:sc= 0.336 USER MOD Single : A 231 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 THR OG1 : rot 180:sc= -0.0959 USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.638 -0.339 -5.359 1.00 0.00 N ATOM 37 CA ILE A 182 -3.141 0.195 -4.105 1.00 0.00 C ATOM 38 C ILE A 182 -1.848 -0.514 -3.716 1.00 0.00 C ATOM 39 O ILE A 182 -1.703 -1.716 -3.940 1.00 0.00 O ATOM 40 CB ILE A 182 -4.180 0.052 -2.972 1.00 0.00 C ATOM 41 CG1 ILE A 182 -4.658 -1.399 -2.844 1.00 0.00 C ATOM 42 CG2 ILE A 182 -5.361 0.982 -3.221 1.00 0.00 C ATOM 43 CD1 ILE A 182 -5.681 -1.601 -1.754 1.00 0.00 C ATOM 0 HA ILE A 182 -2.948 1.258 -4.248 1.00 0.00 H new ATOM 0 HB ILE A 182 -3.703 0.333 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -5.084 -1.718 -3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -3.799 -2.040 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.087 0.872 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.011 2.014 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.831 0.727 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -5.974 -2.650 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -5.252 -1.313 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.557 -0.986 -1.959 1.00 0.00 H new ATOM 55 N VAL A 183 -0.910 0.229 -3.147 1.00 0.00 N ATOM 56 CA VAL A 183 0.362 -0.337 -2.743 1.00 0.00 C ATOM 57 C VAL A 183 0.615 -0.119 -1.252 1.00 0.00 C ATOM 58 O VAL A 183 0.659 1.011 -0.764 1.00 0.00 O ATOM 59 CB VAL A 183 1.542 0.222 -3.575 1.00 0.00 C ATOM 60 CG1 VAL A 183 1.460 -0.243 -5.021 1.00 0.00 C ATOM 61 CG2 VAL A 183 1.589 1.730 -3.544 1.00 0.00 C ATOM 0 H VAL A 183 -1.009 1.226 -2.956 1.00 0.00 H new ATOM 0 HA VAL A 183 0.302 -1.408 -2.934 1.00 0.00 H new ATOM 0 HB VAL A 183 2.454 -0.164 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 183 2.301 0.164 -5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.494 -1.332 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 183 0.526 0.105 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.432 2.080 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.662 2.131 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.707 2.069 -2.515 1.00 0.00 H new ATOM 71 N VAL A 184 0.765 -1.213 -0.534 1.00 0.00 N ATOM 72 CA VAL A 184 0.996 -1.165 0.895 1.00 0.00 C ATOM 73 C VAL A 184 2.493 -1.069 1.196 1.00 0.00 C ATOM 74 O VAL A 184 3.269 -1.957 0.835 1.00 0.00 O ATOM 75 CB VAL A 184 0.391 -2.411 1.587 1.00 0.00 C ATOM 76 CG1 VAL A 184 0.539 -2.333 3.102 1.00 0.00 C ATOM 77 CG2 VAL A 184 -1.077 -2.569 1.207 1.00 0.00 C ATOM 0 H VAL A 184 0.731 -2.156 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 184 0.504 -0.275 1.289 1.00 0.00 H new ATOM 0 HB VAL A 184 0.943 -3.285 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 184 0.104 -3.223 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 184 1.596 -2.273 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 184 0.023 -1.447 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -1.488 -3.449 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -1.631 -1.685 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -1.163 -2.686 0.127 1.00 0.00 H new ATOM 87 N ALA A 185 2.887 0.009 1.863 1.00 0.00 N ATOM 88 CA ALA A 185 4.283 0.229 2.232 1.00 0.00 C ATOM 89 C ALA A 185 4.685 -0.699 3.373 1.00 0.00 C ATOM 90 O ALA A 185 4.074 -0.671 4.441 1.00 0.00 O ATOM 91 CB ALA A 185 4.490 1.680 2.645 1.00 0.00 C ATOM 0 H ALA A 185 2.254 0.751 2.162 1.00 0.00 H new ATOM 0 HA ALA A 185 4.910 0.011 1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 185 5.534 1.835 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.232 2.335 1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 185 3.853 1.910 3.499 1.00 0.00 H new ATOM 97 N MET A 186 5.706 -1.520 3.151 1.00 0.00 N ATOM 98 CA MET A 186 6.175 -2.452 4.174 1.00 0.00 C ATOM 99 C MET A 186 7.172 -1.785 5.105 1.00 0.00 C ATOM 100 O MET A 186 7.039 -1.856 6.329 1.00 0.00 O ATOM 101 CB MET A 186 6.845 -3.674 3.543 1.00 0.00 C ATOM 102 CG MET A 186 5.906 -4.609 2.802 1.00 0.00 C ATOM 103 SD MET A 186 6.761 -6.078 2.197 1.00 0.00 S ATOM 104 CE MET A 186 5.400 -7.042 1.550 1.00 0.00 C ATOM 0 H MET A 186 6.225 -1.560 2.274 1.00 0.00 H new ATOM 0 HA MET A 186 5.298 -2.767 4.740 1.00 0.00 H new ATOM 0 HB2 MET A 186 7.614 -3.331 2.850 1.00 0.00 H new ATOM 0 HB3 MET A 186 7.351 -4.238 4.327 1.00 0.00 H new ATOM 0 HG2 MET A 186 5.094 -4.908 3.465 1.00 0.00 H new ATOM 0 HG3 MET A 186 5.454 -4.080 1.963 1.00 0.00 H new ATOM 0 HE1 MET A 186 5.493 -8.075 1.887 1.00 0.00 H new ATOM 0 HE2 MET A 186 4.458 -6.627 1.908 1.00 0.00 H new ATOM 0 HE3 MET A 186 5.419 -7.013 0.461 1.00 0.00 H new ATOM 114 N TYR A 187 8.190 -1.166 4.523 1.00 0.00 N ATOM 115 CA TYR A 187 9.231 -0.517 5.310 1.00 0.00 C ATOM 116 C TYR A 187 9.206 0.990 5.123 1.00 0.00 C ATOM 117 O TYR A 187 8.677 1.495 4.135 1.00 0.00 O ATOM 118 CB TYR A 187 10.600 -1.069 4.916 1.00 0.00 C ATOM 119 CG TYR A 187 10.642 -2.578 4.860 1.00 0.00 C ATOM 120 CD1 TYR A 187 10.423 -3.342 5.999 1.00 0.00 C ATOM 121 CD2 TYR A 187 10.884 -3.237 3.663 1.00 0.00 C ATOM 122 CE1 TYR A 187 10.443 -4.719 5.948 1.00 0.00 C ATOM 123 CE2 TYR A 187 10.908 -4.615 3.604 1.00 0.00 C ATOM 124 CZ TYR A 187 10.687 -5.350 4.748 1.00 0.00 C ATOM 125 OH TYR A 187 10.703 -6.725 4.685 1.00 0.00 O ATOM 0 H TYR A 187 8.318 -1.099 3.513 1.00 0.00 H new ATOM 0 HA TYR A 187 9.042 -0.729 6.362 1.00 0.00 H new ATOM 0 HB2 TYR A 187 10.879 -0.668 3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.345 -0.718 5.630 1.00 0.00 H new ATOM 0 HD1 TYR A 187 10.234 -2.848 6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 187 11.056 -2.663 2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 187 10.269 -5.299 6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 187 11.099 -5.115 2.666 1.00 0.00 H new ATOM 0 HH TYR A 187 10.888 -7.008 3.765 1.00 0.00 H new ATOM 135 N ASP A 188 9.791 1.704 6.074 1.00 0.00 N ATOM 136 CA ASP A 188 9.846 3.157 6.021 1.00 0.00 C ATOM 137 C ASP A 188 11.006 3.641 5.154 1.00 0.00 C ATOM 138 O ASP A 188 12.060 3.010 5.081 1.00 0.00 O ATOM 139 CB ASP A 188 9.932 3.775 7.433 1.00 0.00 C ATOM 140 CG ASP A 188 10.971 3.141 8.344 1.00 0.00 C ATOM 141 OD1 ASP A 188 11.603 2.137 7.958 1.00 0.00 O ATOM 142 OD2 ASP A 188 11.140 3.641 9.472 1.00 0.00 O ATOM 0 H ASP A 188 10.237 1.297 6.896 1.00 0.00 H new ATOM 0 HA ASP A 188 8.916 3.493 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 188 10.154 4.838 7.336 1.00 0.00 H new ATOM 0 HB3 ASP A 188 8.955 3.696 7.909 1.00 0.00 H new ATOM 147 N PHE A 189 10.791 4.766 4.495 1.00 0.00 N ATOM 148 CA PHE A 189 11.794 5.364 3.623 1.00 0.00 C ATOM 149 C PHE A 189 11.879 6.855 3.912 1.00 0.00 C ATOM 150 O PHE A 189 10.908 7.446 4.385 1.00 0.00 O ATOM 151 CB PHE A 189 11.424 5.116 2.154 1.00 0.00 C ATOM 152 CG PHE A 189 12.349 5.758 1.160 1.00 0.00 C ATOM 153 CD1 PHE A 189 13.670 5.361 1.063 1.00 0.00 C ATOM 154 CD2 PHE A 189 11.894 6.767 0.326 1.00 0.00 C ATOM 155 CE1 PHE A 189 14.519 5.958 0.152 1.00 0.00 C ATOM 156 CE2 PHE A 189 12.740 7.367 -0.588 1.00 0.00 C ATOM 157 CZ PHE A 189 14.056 6.960 -0.675 1.00 0.00 C ATOM 0 H PHE A 189 9.919 5.292 4.547 1.00 0.00 H new ATOM 0 HA PHE A 189 12.767 4.909 3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.407 4.041 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.413 5.484 1.980 1.00 0.00 H new ATOM 0 HD1 PHE A 189 14.041 4.577 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 189 10.865 7.089 0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 189 15.549 5.639 0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 189 12.372 8.152 -1.232 1.00 0.00 H new ATOM 0 HZ PHE A 189 14.721 7.425 -1.388 1.00 0.00 H new ATOM 167 N GLN A 190 13.026 7.464 3.649 1.00 0.00 N ATOM 168 CA GLN A 190 13.194 8.886 3.912 1.00 0.00 C ATOM 169 C GLN A 190 13.733 9.646 2.704 1.00 0.00 C ATOM 170 O GLN A 190 14.818 9.348 2.197 1.00 0.00 O ATOM 171 CB GLN A 190 14.110 9.120 5.127 1.00 0.00 C ATOM 172 CG GLN A 190 15.447 8.381 5.079 1.00 0.00 C ATOM 173 CD GLN A 190 15.327 6.919 5.451 1.00 0.00 C ATOM 174 OE1 GLN A 190 14.843 6.580 6.530 1.00 0.00 O ATOM 175 NE2 GLN A 190 15.762 6.042 4.559 1.00 0.00 N ATOM 0 H GLN A 190 13.847 7.002 3.258 1.00 0.00 H new ATOM 0 HA GLN A 190 12.200 9.276 4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 190 14.306 10.189 5.215 1.00 0.00 H new ATOM 0 HB3 GLN A 190 13.577 8.818 6.029 1.00 0.00 H new ATOM 0 HG2 GLN A 190 15.865 8.462 4.076 1.00 0.00 H new ATOM 0 HG3 GLN A 190 16.149 8.867 5.757 1.00 0.00 H new ATOM 0 HE21 GLN A 190 16.157 6.366 3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 190 15.702 5.043 4.755 1.00 0.00 H new ATOM 184 N ALA A 191 12.986 10.657 2.279 1.00 0.00 N ATOM 185 CA ALA A 191 13.399 11.506 1.171 1.00 0.00 C ATOM 186 C ALA A 191 13.968 12.792 1.737 1.00 0.00 C ATOM 187 O ALA A 191 13.758 13.093 2.909 1.00 0.00 O ATOM 188 CB ALA A 191 12.230 11.816 0.248 1.00 0.00 C ATOM 0 H ALA A 191 12.086 10.909 2.688 1.00 0.00 H new ATOM 0 HA ALA A 191 14.153 10.983 0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 191 12.570 12.452 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 191 11.830 10.887 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 191 11.451 12.332 0.809 1.00 0.00 H new ATOM 194 N THR A 192 14.678 13.552 0.927 1.00 0.00 N ATOM 195 CA THR A 192 15.255 14.797 1.405 1.00 0.00 C ATOM 196 C THR A 192 14.742 15.997 0.601 1.00 0.00 C ATOM 197 O THR A 192 14.835 17.144 1.050 1.00 0.00 O ATOM 198 CB THR A 192 16.788 14.696 1.407 1.00 0.00 C ATOM 199 OG1 THR A 192 17.386 15.926 1.786 1.00 0.00 O ATOM 200 CG2 THR A 192 17.384 14.272 0.081 1.00 0.00 C ATOM 0 H THR A 192 14.869 13.336 -0.051 1.00 0.00 H new ATOM 0 HA THR A 192 14.934 14.965 2.433 1.00 0.00 H new ATOM 0 HB THR A 192 17.007 13.916 2.136 1.00 0.00 H new ATOM 0 HG1 THR A 192 18.361 15.831 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 192 18.470 14.225 0.168 1.00 0.00 H new ATOM 0 HG22 THR A 192 16.999 13.290 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 192 17.113 14.995 -0.688 1.00 0.00 H new ATOM 208 N GLU A 193 14.168 15.733 -0.571 1.00 0.00 N ATOM 209 CA GLU A 193 13.618 16.802 -1.404 1.00 0.00 C ATOM 210 C GLU A 193 12.094 16.830 -1.331 1.00 0.00 C ATOM 211 O GLU A 193 11.515 17.173 -0.302 1.00 0.00 O ATOM 212 CB GLU A 193 14.049 16.654 -2.869 1.00 0.00 C ATOM 213 CG GLU A 193 15.460 17.129 -3.169 1.00 0.00 C ATOM 214 CD GLU A 193 16.516 16.170 -2.698 1.00 0.00 C ATOM 215 OE1 GLU A 193 16.470 14.992 -3.110 1.00 0.00 O ATOM 216 OE2 GLU A 193 17.394 16.595 -1.930 1.00 0.00 O ATOM 0 H GLU A 193 14.072 14.796 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 193 14.014 17.739 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 193 13.966 15.605 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 193 13.352 17.210 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 193 15.566 17.278 -4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 193 15.620 18.098 -2.695 1.00 0.00 H new ATOM 223 N ALA A 194 11.456 16.460 -2.434 1.00 0.00 N ATOM 224 CA ALA A 194 9.998 16.435 -2.529 1.00 0.00 C ATOM 225 C ALA A 194 9.573 15.580 -3.708 1.00 0.00 C ATOM 226 O ALA A 194 8.467 15.036 -3.726 1.00 0.00 O ATOM 227 CB ALA A 194 9.443 17.848 -2.667 1.00 0.00 C ATOM 0 H ALA A 194 11.932 16.169 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 194 9.595 16.001 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 194 8.356 17.807 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 194 9.729 18.438 -1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 194 9.847 18.311 -3.567 1.00 0.00 H new ATOM 233 N HIS A 195 10.475 15.444 -4.683 1.00 0.00 N ATOM 234 CA HIS A 195 10.208 14.620 -5.855 1.00 0.00 C ATOM 235 C HIS A 195 9.957 13.203 -5.378 1.00 0.00 C ATOM 236 O HIS A 195 9.035 12.529 -5.829 1.00 0.00 O ATOM 237 CB HIS A 195 11.390 14.654 -6.825 1.00 0.00 C ATOM 238 CG HIS A 195 11.142 13.905 -8.100 1.00 0.00 C ATOM 239 ND1 HIS A 195 10.172 14.269 -9.010 1.00 0.00 N ATOM 240 CD2 HIS A 195 11.737 12.800 -8.611 1.00 0.00 C ATOM 241 CE1 HIS A 195 10.182 13.418 -10.020 1.00 0.00 C ATOM 242 NE2 HIS A 195 11.123 12.517 -9.806 1.00 0.00 N ATOM 0 H HIS A 195 11.391 15.893 -4.681 1.00 0.00 H new ATOM 0 HA HIS A 195 9.338 15.002 -6.389 1.00 0.00 H new ATOM 0 HB2 HIS A 195 11.624 15.692 -7.063 1.00 0.00 H new ATOM 0 HB3 HIS A 195 12.266 14.234 -6.331 1.00 0.00 H new ATOM 0 HD2 HIS A 195 12.546 12.244 -8.161 1.00 0.00 H new ATOM 0 HE1 HIS A 195 9.528 13.453 -10.879 1.00 0.00 H new ATOM 0 HE2 HIS A 195 11.355 11.740 -10.425 1.00 0.00 H new ATOM 251 N ASP A 196 10.765 12.804 -4.407 1.00 0.00 N ATOM 252 CA ASP A 196 10.649 11.512 -3.764 1.00 0.00 C ATOM 253 C ASP A 196 9.975 11.766 -2.430 1.00 0.00 C ATOM 254 O ASP A 196 10.116 12.859 -1.878 1.00 0.00 O ATOM 255 CB ASP A 196 12.031 10.891 -3.531 1.00 0.00 C ATOM 256 CG ASP A 196 13.030 11.249 -4.608 1.00 0.00 C ATOM 257 OD1 ASP A 196 12.820 10.873 -5.776 1.00 0.00 O ATOM 258 OD2 ASP A 196 14.030 11.920 -4.284 1.00 0.00 O ATOM 0 H ASP A 196 11.526 13.377 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 196 10.081 10.820 -4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 196 12.413 11.221 -2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 196 11.932 9.807 -3.481 1.00 0.00 H new ATOM 263 N LEU A 197 9.245 10.805 -1.895 1.00 0.00 N ATOM 264 CA LEU A 197 8.584 11.037 -0.620 1.00 0.00 C ATOM 265 C LEU A 197 8.881 9.928 0.376 1.00 0.00 C ATOM 266 O LEU A 197 9.336 8.849 0.003 1.00 0.00 O ATOM 267 CB LEU A 197 7.072 11.209 -0.815 1.00 0.00 C ATOM 268 CG LEU A 197 6.424 12.198 0.163 1.00 0.00 C ATOM 269 CD1 LEU A 197 5.547 13.185 -0.583 1.00 0.00 C ATOM 270 CD2 LEU A 197 5.618 11.472 1.224 1.00 0.00 C ATOM 0 H LEU A 197 9.096 9.883 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 197 8.984 11.962 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 197 6.884 11.546 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.589 10.238 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 197 7.222 12.747 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 197 5.095 13.879 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 197 6.152 13.741 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 197 4.762 12.646 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 197 5.171 12.199 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 197 4.830 10.889 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 197 6.273 10.806 1.786 1.00 0.00 H new ATOM 282 N ARG A 198 8.626 10.214 1.646 1.00 0.00 N ATOM 283 CA ARG A 198 8.861 9.255 2.710 1.00 0.00 C ATOM 284 C ARG A 198 7.812 8.157 2.712 1.00 0.00 C ATOM 285 O ARG A 198 6.687 8.348 2.250 1.00 0.00 O ATOM 286 CB ARG A 198 8.861 9.948 4.073 1.00 0.00 C ATOM 287 CG ARG A 198 10.175 10.617 4.422 1.00 0.00 C ATOM 288 CD ARG A 198 10.269 10.900 5.912 1.00 0.00 C ATOM 289 NE ARG A 198 9.727 9.801 6.709 1.00 0.00 N ATOM 290 CZ ARG A 198 9.894 9.685 8.021 1.00 0.00 C ATOM 291 NH1 ARG A 198 10.707 10.515 8.668 1.00 0.00 N ATOM 292 NH2 ARG A 198 9.262 8.725 8.683 1.00 0.00 N ATOM 0 H ARG A 198 8.254 11.109 1.963 1.00 0.00 H new ATOM 0 HA ARG A 198 9.838 8.807 2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 198 8.068 10.696 4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 198 8.623 9.214 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 198 11.004 9.978 4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 198 10.271 11.549 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 198 11.311 11.068 6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 198 9.728 11.818 6.142 1.00 0.00 H new ATOM 0 HE ARG A 198 9.188 9.080 6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 198 11.205 11.244 8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 198 10.833 10.423 9.676 1.00 0.00 H new ATOM 0 HH21 ARG A 198 8.650 8.079 8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 198 9.388 8.633 9.691 1.00 0.00 H new ATOM 306 N LEU A 199 8.198 7.016 3.260 1.00 0.00 N ATOM 307 CA LEU A 199 7.320 5.863 3.371 1.00 0.00 C ATOM 308 C LEU A 199 7.176 5.502 4.837 1.00 0.00 C ATOM 309 O LEU A 199 8.057 5.815 5.637 1.00 0.00 O ATOM 310 CB LEU A 199 7.888 4.650 2.624 1.00 0.00 C ATOM 311 CG LEU A 199 7.705 4.631 1.105 1.00 0.00 C ATOM 312 CD1 LEU A 199 8.466 5.757 0.434 1.00 0.00 C ATOM 313 CD2 LEU A 199 8.168 3.301 0.549 1.00 0.00 C ATOM 0 H LEU A 199 9.132 6.863 3.641 1.00 0.00 H new ATOM 0 HA LEU A 199 6.357 6.121 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.955 4.587 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 199 7.427 3.751 3.034 1.00 0.00 H new ATOM 0 HG LEU A 199 6.645 4.772 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 199 8.311 5.709 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 199 8.106 6.714 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 199 9.529 5.658 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 199 8.035 3.293 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 199 9.222 3.154 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 199 7.581 2.497 0.992 1.00 0.00 H new ATOM 325 N GLU A 200 6.100 4.824 5.187 1.00 0.00 N ATOM 326 CA GLU A 200 5.896 4.412 6.563 1.00 0.00 C ATOM 327 C GLU A 200 5.626 2.917 6.605 1.00 0.00 C ATOM 328 O GLU A 200 4.974 2.382 5.710 1.00 0.00 O ATOM 329 CB GLU A 200 4.728 5.176 7.197 1.00 0.00 C ATOM 330 CG GLU A 200 4.853 6.694 7.132 1.00 0.00 C ATOM 331 CD GLU A 200 5.940 7.238 8.029 1.00 0.00 C ATOM 332 OE1 GLU A 200 5.894 6.964 9.243 1.00 0.00 O ATOM 333 OE2 GLU A 200 6.832 7.953 7.528 1.00 0.00 O ATOM 0 H GLU A 200 5.358 4.548 4.543 1.00 0.00 H new ATOM 0 HA GLU A 200 6.796 4.639 7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 200 3.804 4.879 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 200 4.639 4.876 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 200 5.056 6.992 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 200 3.900 7.143 7.412 1.00 0.00 H new ATOM 340 N ARG A 201 6.125 2.252 7.633 1.00 0.00 N ATOM 341 CA ARG A 201 5.936 0.812 7.777 1.00 0.00 C ATOM 342 C ARG A 201 4.488 0.472 8.132 1.00 0.00 C ATOM 343 O ARG A 201 4.123 0.373 9.308 1.00 0.00 O ATOM 344 CB ARG A 201 6.910 0.262 8.823 1.00 0.00 C ATOM 345 CG ARG A 201 7.135 1.188 10.008 1.00 0.00 C ATOM 346 CD ARG A 201 8.616 1.290 10.342 1.00 0.00 C ATOM 347 NE ARG A 201 9.184 -0.002 10.739 1.00 0.00 N ATOM 348 CZ ARG A 201 10.495 -0.214 10.901 1.00 0.00 C ATOM 349 NH1 ARG A 201 11.359 0.751 10.604 1.00 0.00 N ATOM 350 NH2 ARG A 201 10.935 -1.389 11.344 1.00 0.00 N ATOM 0 H ARG A 201 6.665 2.684 8.383 1.00 0.00 H new ATOM 0 HA ARG A 201 6.149 0.337 6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 201 6.533 -0.693 9.188 1.00 0.00 H new ATOM 0 HB3 ARG A 201 7.868 0.064 8.343 1.00 0.00 H new ATOM 0 HG2 ARG A 201 6.740 2.178 9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 201 6.587 0.817 10.874 1.00 0.00 H new ATOM 0 HD2 ARG A 201 9.157 1.672 9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 201 8.756 2.010 11.148 1.00 0.00 H new ATOM 0 HE ARG A 201 8.545 -0.781 10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 201 11.022 1.648 10.254 1.00 0.00 H new ATOM 0 HH12 ARG A 201 12.360 0.595 10.726 1.00 0.00 H new ATOM 0 HH21 ARG A 201 10.272 -2.133 11.562 1.00 0.00 H new ATOM 0 HH22 ARG A 201 11.935 -1.546 11.466 1.00 0.00 H new ATOM 364 N GLY A 202 3.665 0.297 7.103 1.00 0.00 N ATOM 365 CA GLY A 202 2.268 -0.023 7.305 1.00 0.00 C ATOM 366 C GLY A 202 1.344 1.036 6.730 1.00 0.00 C ATOM 367 O GLY A 202 0.479 1.556 7.437 1.00 0.00 O ATOM 0 H GLY A 202 3.946 0.372 6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.047 -0.985 6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 202 2.073 -0.131 8.372 1.00 0.00 H new ATOM 371 N GLN A 203 1.529 1.368 5.452 1.00 0.00 N ATOM 372 CA GLN A 203 0.699 2.381 4.798 1.00 0.00 C ATOM 373 C GLN A 203 0.055 1.844 3.535 1.00 0.00 C ATOM 374 O GLN A 203 0.534 0.888 2.945 1.00 0.00 O ATOM 375 CB GLN A 203 1.527 3.613 4.426 1.00 0.00 C ATOM 376 CG GLN A 203 2.043 4.402 5.608 1.00 0.00 C ATOM 377 CD GLN A 203 0.944 5.116 6.365 1.00 0.00 C ATOM 378 OE1 GLN A 203 0.249 5.966 5.813 1.00 0.00 O ATOM 379 NE2 GLN A 203 0.782 4.772 7.631 1.00 0.00 N ATOM 0 H GLN A 203 2.242 0.953 4.852 1.00 0.00 H new ATOM 0 HA GLN A 203 -0.077 2.655 5.513 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.375 3.295 3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 203 0.918 4.270 3.805 1.00 0.00 H new ATOM 0 HG2 GLN A 203 2.567 3.729 6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.772 5.134 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 203 1.383 4.061 8.047 1.00 0.00 H new ATOM 0 HE22 GLN A 203 0.056 5.218 8.192 1.00 0.00 H new ATOM 388 N GLU A 204 -1.009 2.496 3.113 1.00 0.00 N ATOM 389 CA GLU A 204 -1.711 2.122 1.898 1.00 0.00 C ATOM 390 C GLU A 204 -1.683 3.290 0.927 1.00 0.00 C ATOM 391 O GLU A 204 -2.399 4.280 1.105 1.00 0.00 O ATOM 392 CB GLU A 204 -3.152 1.727 2.221 1.00 0.00 C ATOM 393 CG GLU A 204 -3.257 0.419 2.983 1.00 0.00 C ATOM 394 CD GLU A 204 -4.626 0.195 3.581 1.00 0.00 C ATOM 395 OE1 GLU A 204 -5.448 1.135 3.564 1.00 0.00 O ATOM 396 OE2 GLU A 204 -4.876 -0.910 4.098 1.00 0.00 O ATOM 0 H GLU A 204 -1.412 3.297 3.599 1.00 0.00 H new ATOM 0 HA GLU A 204 -1.218 1.264 1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -3.616 2.520 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -3.716 1.645 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -3.020 -0.407 2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -2.512 0.407 3.779 1.00 0.00 H new ATOM 403 N TYR A 205 -0.835 3.182 -0.074 1.00 0.00 N ATOM 404 CA TYR A 205 -0.685 4.237 -1.061 1.00 0.00 C ATOM 405 C TYR A 205 -1.332 3.854 -2.384 1.00 0.00 C ATOM 406 O TYR A 205 -1.693 2.703 -2.596 1.00 0.00 O ATOM 407 CB TYR A 205 0.799 4.547 -1.286 1.00 0.00 C ATOM 408 CG TYR A 205 1.508 5.095 -0.067 1.00 0.00 C ATOM 409 CD1 TYR A 205 1.031 6.219 0.592 1.00 0.00 C ATOM 410 CD2 TYR A 205 2.661 4.493 0.415 1.00 0.00 C ATOM 411 CE1 TYR A 205 1.682 6.727 1.698 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.318 4.992 1.519 1.00 0.00 C ATOM 413 CZ TYR A 205 2.824 6.109 2.156 1.00 0.00 C ATOM 414 OH TYR A 205 3.477 6.605 3.257 1.00 0.00 O ATOM 0 H TYR A 205 -0.235 2.371 -0.228 1.00 0.00 H new ATOM 0 HA TYR A 205 -1.188 5.124 -0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.304 3.637 -1.608 1.00 0.00 H new ATOM 0 HB3 TYR A 205 0.889 5.267 -2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 205 0.135 6.705 0.234 1.00 0.00 H new ATOM 0 HD2 TYR A 205 3.051 3.618 -0.084 1.00 0.00 H new ATOM 0 HE1 TYR A 205 1.298 7.603 2.200 1.00 0.00 H new ATOM 0 HE2 TYR A 205 4.214 4.511 1.882 1.00 0.00 H new ATOM 0 HH TYR A 205 4.109 5.935 3.592 1.00 0.00 H new ATOM 424 N ILE A 206 -1.460 4.821 -3.281 1.00 0.00 N ATOM 425 CA ILE A 206 -2.042 4.572 -4.588 1.00 0.00 C ATOM 426 C ILE A 206 -0.997 4.874 -5.649 1.00 0.00 C ATOM 427 O ILE A 206 -0.552 6.013 -5.763 1.00 0.00 O ATOM 428 CB ILE A 206 -3.299 5.443 -4.862 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.187 5.560 -3.615 1.00 0.00 C ATOM 430 CG2 ILE A 206 -4.103 4.867 -6.019 1.00 0.00 C ATOM 431 CD1 ILE A 206 -3.904 6.790 -2.780 1.00 0.00 C ATOM 0 H ILE A 206 -1.168 5.786 -3.126 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.355 3.528 -4.616 1.00 0.00 H new ATOM 0 HB ILE A 206 -2.954 6.443 -5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.232 5.574 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.049 4.673 -2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -4.980 5.489 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -3.485 4.845 -6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.421 3.854 -5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.569 6.805 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -2.869 6.769 -2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -4.070 7.684 -3.381 1.00 0.00 H new ATOM 443 N ILE A 207 -0.592 3.871 -6.416 1.00 0.00 N ATOM 444 CA ILE A 207 0.408 4.091 -7.448 1.00 0.00 C ATOM 445 C ILE A 207 -0.172 4.956 -8.566 1.00 0.00 C ATOM 446 O ILE A 207 -1.204 4.635 -9.154 1.00 0.00 O ATOM 447 CB ILE A 207 0.982 2.770 -8.008 1.00 0.00 C ATOM 448 CG1 ILE A 207 1.684 3.023 -9.349 1.00 0.00 C ATOM 449 CG2 ILE A 207 -0.098 1.705 -8.125 1.00 0.00 C ATOM 450 CD1 ILE A 207 2.161 1.770 -10.046 1.00 0.00 C ATOM 0 H ILE A 207 -0.934 2.913 -6.345 1.00 0.00 H new ATOM 0 HA ILE A 207 1.243 4.619 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 207 1.725 2.389 -7.307 1.00 0.00 H new ATOM 0 HG12 ILE A 207 0.999 3.554 -10.010 1.00 0.00 H new ATOM 0 HG13 ILE A 207 2.538 3.679 -9.181 1.00 0.00 H new ATOM 0 HG21 ILE A 207 0.337 0.788 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -0.524 1.509 -7.141 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -0.882 2.054 -8.796 1.00 0.00 H new ATOM 0 HD11 ILE A 207 2.645 2.038 -10.985 1.00 0.00 H new ATOM 0 HD12 ILE A 207 2.873 1.247 -9.407 1.00 0.00 H new ATOM 0 HD13 ILE A 207 1.310 1.120 -10.249 1.00 0.00 H new ATOM 462 N LEU A 208 0.487 6.067 -8.817 1.00 0.00 N ATOM 463 CA LEU A 208 0.057 7.022 -9.820 1.00 0.00 C ATOM 464 C LEU A 208 0.800 6.785 -11.129 1.00 0.00 C ATOM 465 O LEU A 208 0.216 6.867 -12.210 1.00 0.00 O ATOM 466 CB LEU A 208 0.346 8.440 -9.314 1.00 0.00 C ATOM 467 CG LEU A 208 0.366 8.583 -7.790 1.00 0.00 C ATOM 468 CD1 LEU A 208 1.368 9.638 -7.376 1.00 0.00 C ATOM 469 CD2 LEU A 208 -1.012 8.933 -7.250 1.00 0.00 C ATOM 0 H LEU A 208 1.341 6.336 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 208 -1.011 6.900 -9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.310 8.763 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 208 -0.407 9.116 -9.719 1.00 0.00 H new ATOM 0 HG LEU A 208 0.662 7.623 -7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 208 1.372 9.730 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 208 2.362 9.351 -7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 208 1.093 10.595 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 208 -0.964 9.028 -6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 208 -1.343 9.877 -7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 208 -1.717 8.145 -7.515 1.00 0.00 H new ATOM 481 N GLU A 209 2.094 6.498 -11.011 1.00 0.00 N ATOM 482 CA GLU A 209 2.948 6.262 -12.170 1.00 0.00 C ATOM 483 C GLU A 209 3.853 5.060 -11.939 1.00 0.00 C ATOM 484 O GLU A 209 4.310 4.823 -10.820 1.00 0.00 O ATOM 485 CB GLU A 209 3.810 7.499 -12.449 1.00 0.00 C ATOM 486 CG GLU A 209 3.015 8.789 -12.587 1.00 0.00 C ATOM 487 CD GLU A 209 3.897 10.013 -12.638 1.00 0.00 C ATOM 488 OE1 GLU A 209 4.705 10.129 -13.581 1.00 0.00 O ATOM 489 OE2 GLU A 209 3.794 10.853 -11.726 1.00 0.00 O ATOM 0 H GLU A 209 2.577 6.423 -10.116 1.00 0.00 H new ATOM 0 HA GLU A 209 2.307 6.061 -13.028 1.00 0.00 H new ATOM 0 HB2 GLU A 209 4.533 7.615 -11.642 1.00 0.00 H new ATOM 0 HB3 GLU A 209 4.378 7.334 -13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 209 2.411 8.744 -13.493 1.00 0.00 H new ATOM 0 HG3 GLU A 209 2.325 8.878 -11.748 1.00 0.00 H new ATOM 496 N LYS A 210 4.121 4.309 -12.996 1.00 0.00 N ATOM 497 CA LYS A 210 4.983 3.141 -12.896 1.00 0.00 C ATOM 498 C LYS A 210 6.233 3.301 -13.754 1.00 0.00 C ATOM 499 O LYS A 210 6.150 3.504 -14.968 1.00 0.00 O ATOM 500 CB LYS A 210 4.235 1.871 -13.317 1.00 0.00 C ATOM 501 CG LYS A 210 5.129 0.637 -13.396 1.00 0.00 C ATOM 502 CD LYS A 210 4.408 -0.568 -13.976 1.00 0.00 C ATOM 503 CE LYS A 210 5.378 -1.704 -14.277 1.00 0.00 C ATOM 504 NZ LYS A 210 4.689 -2.890 -14.854 1.00 0.00 N ATOM 0 H LYS A 210 3.755 4.487 -13.931 1.00 0.00 H new ATOM 0 HA LYS A 210 5.283 3.050 -11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 210 3.429 1.681 -12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 210 3.771 2.037 -14.289 1.00 0.00 H new ATOM 0 HG2 LYS A 210 6.002 0.863 -14.008 1.00 0.00 H new ATOM 0 HG3 LYS A 210 5.494 0.392 -12.399 1.00 0.00 H new ATOM 0 HD2 LYS A 210 3.649 -0.912 -13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 210 3.889 -0.279 -14.890 1.00 0.00 H new ATOM 0 HE2 LYS A 210 6.141 -1.354 -14.973 1.00 0.00 H new ATOM 0 HE3 LYS A 210 5.892 -1.994 -13.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 5.386 -3.638 -15.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 3.979 -3.241 -14.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 4.220 -2.621 -15.742 1.00 0.00 H new ATOM 518 N ASN A 211 7.387 3.168 -13.115 1.00 0.00 N ATOM 519 CA ASN A 211 8.674 3.248 -13.795 1.00 0.00 C ATOM 520 C ASN A 211 9.450 1.973 -13.513 1.00 0.00 C ATOM 521 O ASN A 211 10.273 1.925 -12.592 1.00 0.00 O ATOM 522 CB ASN A 211 9.468 4.472 -13.334 1.00 0.00 C ATOM 523 CG ASN A 211 10.818 4.577 -14.015 1.00 0.00 C ATOM 524 OD1 ASN A 211 11.881 4.608 -13.226 1.00 0.00 O flip ATOM 525 ND2 ASN A 211 10.903 4.637 -15.241 1.00 0.00 N flip ATOM 0 H ASN A 211 7.458 3.002 -12.111 1.00 0.00 H new ATOM 0 HA ASN A 211 8.509 3.354 -14.867 1.00 0.00 H new ATOM 0 HB2 ASN A 211 8.891 5.374 -13.538 1.00 0.00 H new ATOM 0 HB3 ASN A 211 9.612 4.423 -12.255 1.00 0.00 H new ATOM 0 HD21 ASN A 211 10.059 4.610 -15.813 1.00 0.00 H new ATOM 0 HD22 ASN A 211 11.818 4.714 -15.686 1.00 0.00 H new ATOM 532 N ASP A 212 9.138 0.930 -14.286 1.00 0.00 N ATOM 533 CA ASP A 212 9.754 -0.392 -14.126 1.00 0.00 C ATOM 534 C ASP A 212 9.354 -0.994 -12.782 1.00 0.00 C ATOM 535 O ASP A 212 8.421 -0.520 -12.141 1.00 0.00 O ATOM 536 CB ASP A 212 11.281 -0.324 -14.256 1.00 0.00 C ATOM 537 CG ASP A 212 11.733 -0.005 -15.661 1.00 0.00 C ATOM 538 OD1 ASP A 212 11.509 -0.833 -16.562 1.00 0.00 O ATOM 539 OD2 ASP A 212 12.311 1.077 -15.867 1.00 0.00 O ATOM 0 H ASP A 212 8.452 0.977 -15.040 1.00 0.00 H new ATOM 0 HA ASP A 212 9.388 -1.034 -14.927 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.666 0.434 -13.574 1.00 0.00 H new ATOM 0 HB3 ASP A 212 11.710 -1.277 -13.948 1.00 0.00 H new ATOM 544 N LEU A 213 10.052 -2.036 -12.354 1.00 0.00 N ATOM 545 CA LEU A 213 9.746 -2.682 -11.079 1.00 0.00 C ATOM 546 C LEU A 213 10.571 -2.080 -9.946 1.00 0.00 C ATOM 547 O LEU A 213 10.795 -2.730 -8.924 1.00 0.00 O ATOM 548 CB LEU A 213 10.014 -4.185 -11.174 1.00 0.00 C ATOM 549 CG LEU A 213 9.192 -4.914 -12.236 1.00 0.00 C ATOM 550 CD1 LEU A 213 9.611 -6.371 -12.336 1.00 0.00 C ATOM 551 CD2 LEU A 213 7.705 -4.802 -11.938 1.00 0.00 C ATOM 0 H LEU A 213 10.830 -2.453 -12.865 1.00 0.00 H new ATOM 0 HA LEU A 213 8.691 -2.516 -10.861 1.00 0.00 H new ATOM 0 HB2 LEU A 213 11.072 -4.339 -11.384 1.00 0.00 H new ATOM 0 HB3 LEU A 213 9.812 -4.638 -10.203 1.00 0.00 H new ATOM 0 HG LEU A 213 9.383 -4.438 -13.198 1.00 0.00 H new ATOM 0 HD11 LEU A 213 9.013 -6.870 -13.098 1.00 0.00 H new ATOM 0 HD12 LEU A 213 10.665 -6.429 -12.607 1.00 0.00 H new ATOM 0 HD13 LEU A 213 9.456 -6.861 -11.375 1.00 0.00 H new ATOM 0 HD21 LEU A 213 7.139 -5.328 -12.707 1.00 0.00 H new ATOM 0 HD22 LEU A 213 7.494 -5.246 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 213 7.414 -3.752 -11.928 1.00 0.00 H new ATOM 563 N HIS A 214 11.049 -0.853 -10.130 1.00 0.00 N ATOM 564 CA HIS A 214 11.879 -0.217 -9.110 1.00 0.00 C ATOM 565 C HIS A 214 11.224 1.025 -8.511 1.00 0.00 C ATOM 566 O HIS A 214 10.785 1.008 -7.362 1.00 0.00 O ATOM 567 CB HIS A 214 13.248 0.154 -9.692 1.00 0.00 C ATOM 568 CG HIS A 214 14.076 -1.027 -10.120 1.00 0.00 C ATOM 569 ND1 HIS A 214 13.838 -2.359 -10.039 1.00 0.00 N flip ATOM 570 CD2 HIS A 214 15.313 -0.901 -10.716 1.00 0.00 C flip ATOM 571 CE1 HIS A 214 14.918 -3.006 -10.586 1.00 0.00 C flip ATOM 572 NE2 HIS A 214 15.793 -2.103 -10.989 1.00 0.00 N flip ATOM 0 H HIS A 214 10.880 -0.286 -10.961 1.00 0.00 H new ATOM 0 HA HIS A 214 12.001 -0.944 -8.307 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.100 0.810 -10.550 1.00 0.00 H new ATOM 0 HB3 HIS A 214 13.805 0.723 -8.948 1.00 0.00 H new ATOM 0 HD2 HIS A 214 15.812 0.033 -10.927 1.00 0.00 H new ATOM 0 HE1 HIS A 214 15.033 -4.076 -10.672 1.00 0.00 H new ATOM 0 HE2 HIS A 214 16.689 -2.299 -11.436 1.00 0.00 H new ATOM 581 N TRP A 215 11.189 2.108 -9.277 1.00 0.00 N ATOM 582 CA TRP A 215 10.616 3.363 -8.795 1.00 0.00 C ATOM 583 C TRP A 215 9.162 3.533 -9.215 1.00 0.00 C ATOM 584 O TRP A 215 8.842 3.521 -10.400 1.00 0.00 O ATOM 585 CB TRP A 215 11.448 4.542 -9.291 1.00 0.00 C ATOM 586 CG TRP A 215 12.754 4.648 -8.574 1.00 0.00 C ATOM 587 CD1 TRP A 215 13.920 3.997 -8.856 1.00 0.00 C ATOM 588 CD2 TRP A 215 12.990 5.409 -7.398 1.00 0.00 C ATOM 589 NE1 TRP A 215 14.879 4.338 -7.931 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.329 5.206 -7.022 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.195 6.256 -6.633 1.00 0.00 C ATOM 592 CZ2 TRP A 215 14.885 5.819 -5.900 1.00 0.00 C ATOM 593 CZ3 TRP A 215 12.740 6.864 -5.525 1.00 0.00 C ATOM 594 CH2 TRP A 215 14.077 6.648 -5.166 1.00 0.00 C ATOM 0 H TRP A 215 11.548 2.145 -10.231 1.00 0.00 H new ATOM 0 HA TRP A 215 10.636 3.333 -7.706 1.00 0.00 H new ATOM 0 HB2 TRP A 215 11.630 4.433 -10.360 1.00 0.00 H new ATOM 0 HB3 TRP A 215 10.885 5.465 -9.156 1.00 0.00 H new ATOM 0 HD1 TRP A 215 14.067 3.316 -9.681 1.00 0.00 H new ATOM 0 HE1 TRP A 215 15.842 4.001 -7.922 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.165 6.434 -6.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 15.914 5.647 -5.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 12.127 7.518 -4.923 1.00 0.00 H new ATOM 0 HH2 TRP A 215 14.478 7.144 -4.295 1.00 0.00 H new ATOM 605 N TRP A 216 8.284 3.700 -8.236 1.00 0.00 N ATOM 606 CA TRP A 216 6.864 3.884 -8.494 1.00 0.00 C ATOM 607 C TRP A 216 6.374 5.169 -7.854 1.00 0.00 C ATOM 608 O TRP A 216 6.509 5.349 -6.649 1.00 0.00 O ATOM 609 CB TRP A 216 6.055 2.723 -7.914 1.00 0.00 C ATOM 610 CG TRP A 216 6.096 1.452 -8.707 1.00 0.00 C ATOM 611 CD1 TRP A 216 6.966 1.112 -9.700 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.223 0.331 -8.538 1.00 0.00 C ATOM 613 NE1 TRP A 216 6.677 -0.144 -10.167 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.610 -0.644 -9.472 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.138 0.068 -7.687 1.00 0.00 C ATOM 616 CZ2 TRP A 216 4.958 -1.872 -9.575 1.00 0.00 C ATOM 617 CZ3 TRP A 216 3.495 -1.149 -7.789 1.00 0.00 C ATOM 618 CH2 TRP A 216 3.903 -2.106 -8.732 1.00 0.00 C ATOM 0 H TRP A 216 8.534 3.712 -7.247 1.00 0.00 H new ATOM 0 HA TRP A 216 6.727 3.927 -9.575 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.419 2.516 -6.908 1.00 0.00 H new ATOM 0 HB3 TRP A 216 5.016 3.038 -7.818 1.00 0.00 H new ATOM 0 HD1 TRP A 216 7.765 1.740 -10.065 1.00 0.00 H new ATOM 0 HE1 TRP A 216 7.177 -0.628 -10.913 1.00 0.00 H new ATOM 0 HE3 TRP A 216 3.813 0.804 -6.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 5.273 -2.613 -10.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 2.665 -1.369 -7.133 1.00 0.00 H new ATOM 0 HH2 TRP A 216 3.375 -3.046 -8.794 1.00 0.00 H new ATOM 629 N ARG A 217 5.769 6.035 -8.642 1.00 0.00 N ATOM 630 CA ARG A 217 5.221 7.274 -8.112 1.00 0.00 C ATOM 631 C ARG A 217 3.892 6.936 -7.463 1.00 0.00 C ATOM 632 O ARG A 217 2.957 6.576 -8.152 1.00 0.00 O ATOM 633 CB ARG A 217 5.034 8.304 -9.237 1.00 0.00 C ATOM 634 CG ARG A 217 5.842 9.584 -9.063 1.00 0.00 C ATOM 635 CD ARG A 217 4.985 10.715 -8.515 1.00 0.00 C ATOM 636 NE ARG A 217 5.720 11.985 -8.440 1.00 0.00 N ATOM 637 CZ ARG A 217 6.161 12.664 -9.506 1.00 0.00 C ATOM 638 NH1 ARG A 217 5.893 12.230 -10.734 1.00 0.00 N ATOM 639 NH2 ARG A 217 6.835 13.796 -9.341 1.00 0.00 N ATOM 0 H ARG A 217 5.643 5.908 -9.646 1.00 0.00 H new ATOM 0 HA ARG A 217 5.899 7.715 -7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 217 5.309 7.842 -10.185 1.00 0.00 H new ATOM 0 HB3 ARG A 217 3.977 8.563 -9.303 1.00 0.00 H new ATOM 0 HG2 ARG A 217 6.677 9.399 -8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 217 6.267 9.880 -10.022 1.00 0.00 H new ATOM 0 HD2 ARG A 217 4.107 10.843 -9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 217 4.625 10.447 -7.522 1.00 0.00 H new ATOM 0 HE ARG A 217 5.906 12.374 -7.516 1.00 0.00 H new ATOM 0 HH11 ARG A 217 5.350 11.377 -10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 217 6.231 12.750 -11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 217 7.017 14.149 -8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 217 7.171 14.313 -10.154 1.00 0.00 H new ATOM 653 N ALA A 218 3.818 7.009 -6.142 1.00 0.00 N ATOM 654 CA ALA A 218 2.581 6.659 -5.437 1.00 0.00 C ATOM 655 C ALA A 218 2.195 7.741 -4.442 1.00 0.00 C ATOM 656 O ALA A 218 2.983 8.654 -4.177 1.00 0.00 O ATOM 657 CB ALA A 218 2.721 5.308 -4.739 1.00 0.00 C ATOM 0 H ALA A 218 4.586 7.303 -5.538 1.00 0.00 H new ATOM 0 HA ALA A 218 1.783 6.582 -6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.792 5.068 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.935 4.537 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.536 5.354 -4.017 1.00 0.00 H new ATOM 663 N ARG A 219 0.977 7.662 -3.905 1.00 0.00 N ATOM 664 CA ARG A 219 0.521 8.675 -2.968 1.00 0.00 C ATOM 665 C ARG A 219 -0.494 8.179 -1.962 1.00 0.00 C ATOM 666 O ARG A 219 -0.834 7.011 -1.903 1.00 0.00 O ATOM 667 CB ARG A 219 -0.091 9.834 -3.726 1.00 0.00 C ATOM 668 CG ARG A 219 0.734 11.102 -3.651 1.00 0.00 C ATOM 669 CD ARG A 219 0.747 11.696 -2.241 1.00 0.00 C ATOM 670 NE ARG A 219 1.401 10.841 -1.241 1.00 0.00 N ATOM 671 CZ ARG A 219 2.708 10.578 -1.206 1.00 0.00 C ATOM 672 NH1 ARG A 219 3.525 11.143 -2.082 1.00 0.00 N ATOM 673 NH2 ARG A 219 3.198 9.784 -0.268 1.00 0.00 N ATOM 0 H ARG A 219 0.304 6.921 -4.101 1.00 0.00 H new ATOM 0 HA ARG A 219 1.407 8.977 -2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -0.215 9.551 -4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -1.087 10.033 -3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 219 1.756 10.888 -3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 219 0.334 11.836 -4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 219 1.255 12.660 -2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -0.280 11.885 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 219 0.813 10.418 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 219 3.155 11.781 -2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 219 4.524 10.940 -2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 219 2.576 9.373 0.428 1.00 0.00 H new ATOM 0 HH22 ARG A 219 4.198 9.583 -0.241 1.00 0.00 H new ATOM 687 N ASP A 220 -0.976 9.132 -1.188 1.00 0.00 N ATOM 688 CA ASP A 220 -1.969 8.909 -0.157 1.00 0.00 C ATOM 689 C ASP A 220 -3.096 9.912 -0.333 1.00 0.00 C ATOM 690 O ASP A 220 -4.276 9.576 -0.232 1.00 0.00 O ATOM 691 CB ASP A 220 -1.306 9.035 1.223 1.00 0.00 C ATOM 692 CG ASP A 220 -2.237 9.497 2.328 1.00 0.00 C ATOM 693 OD1 ASP A 220 -2.447 10.724 2.458 1.00 0.00 O ATOM 694 OD2 ASP A 220 -2.739 8.636 3.075 1.00 0.00 O ATOM 0 H ASP A 220 -0.680 10.106 -1.261 1.00 0.00 H new ATOM 0 HA ASP A 220 -2.389 7.906 -0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -0.886 8.068 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -0.474 9.735 1.150 1.00 0.00 H new ATOM 699 N LYS A 221 -2.708 11.145 -0.615 1.00 0.00 N ATOM 700 CA LYS A 221 -3.651 12.223 -0.836 1.00 0.00 C ATOM 701 C LYS A 221 -4.003 12.347 -2.306 1.00 0.00 C ATOM 702 O LYS A 221 -3.690 11.479 -3.117 1.00 0.00 O ATOM 703 CB LYS A 221 -3.078 13.554 -0.340 1.00 0.00 C ATOM 704 CG LYS A 221 -1.628 13.462 0.102 1.00 0.00 C ATOM 705 CD LYS A 221 -1.168 14.729 0.794 1.00 0.00 C ATOM 706 CE LYS A 221 -1.988 15.009 2.045 1.00 0.00 C ATOM 707 NZ LYS A 221 -1.933 13.882 3.018 1.00 0.00 N ATOM 0 H LYS A 221 -1.730 11.424 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 221 -4.555 11.987 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -3.161 14.295 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -3.682 13.912 0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -1.507 12.615 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -0.995 13.271 -0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -0.115 14.638 1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -1.251 15.571 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -1.620 15.917 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -3.025 15.194 1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -2.314 14.195 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -2.500 13.087 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -0.946 13.576 3.140 1.00 0.00 H new ATOM 721 N TYR A 222 -4.637 13.462 -2.628 1.00 0.00 N ATOM 722 CA TYR A 222 -5.037 13.776 -3.989 1.00 0.00 C ATOM 723 C TYR A 222 -3.855 14.345 -4.766 1.00 0.00 C ATOM 724 O TYR A 222 -3.747 14.162 -5.978 1.00 0.00 O ATOM 725 CB TYR A 222 -6.201 14.778 -3.981 1.00 0.00 C ATOM 726 CG TYR A 222 -5.933 16.021 -3.155 1.00 0.00 C ATOM 727 CD1 TYR A 222 -5.945 15.968 -1.767 1.00 0.00 C ATOM 728 CD2 TYR A 222 -5.646 17.240 -3.759 1.00 0.00 C ATOM 729 CE1 TYR A 222 -5.681 17.088 -1.006 1.00 0.00 C ATOM 730 CE2 TYR A 222 -5.384 18.365 -3.003 1.00 0.00 C ATOM 731 CZ TYR A 222 -5.402 18.284 -1.628 1.00 0.00 C ATOM 732 OH TYR A 222 -5.134 19.400 -0.873 1.00 0.00 O ATOM 0 H TYR A 222 -4.890 14.179 -1.948 1.00 0.00 H new ATOM 0 HA TYR A 222 -5.368 12.860 -4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -6.420 15.075 -5.007 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -7.092 14.282 -3.596 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -6.165 15.032 -1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -5.628 17.308 -4.837 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -5.693 17.027 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -5.166 19.305 -3.488 1.00 0.00 H new ATOM 0 HH TYR A 222 -4.956 20.161 -1.465 1.00 0.00 H new ATOM 742 N GLY A 223 -2.965 15.032 -4.053 1.00 0.00 N ATOM 743 CA GLY A 223 -1.798 15.603 -4.669 1.00 0.00 C ATOM 744 C GLY A 223 -0.551 15.215 -3.918 1.00 0.00 C ATOM 745 O GLY A 223 -0.465 14.105 -3.402 1.00 0.00 O ATOM 0 H GLY A 223 -3.041 15.200 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -1.725 15.265 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -1.889 16.689 -4.694 1.00 0.00 H new ATOM 749 N SER A 224 0.394 16.141 -3.851 1.00 0.00 N ATOM 750 CA SER A 224 1.676 15.946 -3.169 1.00 0.00 C ATOM 751 C SER A 224 2.283 14.590 -3.523 1.00 0.00 C ATOM 752 O SER A 224 2.730 13.845 -2.648 1.00 0.00 O ATOM 753 CB SER A 224 1.493 16.069 -1.657 1.00 0.00 C ATOM 754 OG SER A 224 0.943 17.335 -1.312 1.00 0.00 O ATOM 0 H SER A 224 0.296 17.064 -4.273 1.00 0.00 H new ATOM 0 HA SER A 224 2.363 16.722 -3.505 1.00 0.00 H new ATOM 0 HB2 SER A 224 0.838 15.274 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 224 2.454 15.938 -1.159 1.00 0.00 H new ATOM 0 HG SER A 224 0.833 17.390 -0.340 1.00 0.00 H new ATOM 760 N GLU A 225 2.252 14.260 -4.807 1.00 0.00 N ATOM 761 CA GLU A 225 2.745 12.976 -5.288 1.00 0.00 C ATOM 762 C GLU A 225 4.262 12.937 -5.384 1.00 0.00 C ATOM 763 O GLU A 225 4.911 13.947 -5.666 1.00 0.00 O ATOM 764 CB GLU A 225 2.113 12.657 -6.642 1.00 0.00 C ATOM 765 CG GLU A 225 0.634 13.013 -6.716 1.00 0.00 C ATOM 766 CD GLU A 225 0.395 14.285 -7.487 1.00 0.00 C ATOM 767 OE1 GLU A 225 0.987 15.321 -7.126 1.00 0.00 O ATOM 768 OE2 GLU A 225 -0.375 14.250 -8.461 1.00 0.00 O ATOM 0 H GLU A 225 1.888 14.869 -5.540 1.00 0.00 H new ATOM 0 HA GLU A 225 2.457 12.217 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 225 2.649 13.198 -7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 225 2.234 11.594 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 225 0.088 12.196 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 225 0.237 13.121 -5.707 1.00 0.00 H new ATOM 775 N GLY A 226 4.826 11.755 -5.130 1.00 0.00 N ATOM 776 CA GLY A 226 6.264 11.598 -5.175 1.00 0.00 C ATOM 777 C GLY A 226 6.711 10.186 -5.510 1.00 0.00 C ATOM 778 O GLY A 226 5.945 9.219 -5.377 1.00 0.00 O ATOM 0 H GLY A 226 4.309 10.908 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.673 12.285 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.683 11.883 -4.210 1.00 0.00 H new ATOM 782 N TYR A 227 7.963 10.081 -5.942 1.00 0.00 N ATOM 783 CA TYR A 227 8.574 8.809 -6.297 1.00 0.00 C ATOM 784 C TYR A 227 8.719 7.935 -5.057 1.00 0.00 C ATOM 785 O TYR A 227 9.045 8.427 -3.976 1.00 0.00 O ATOM 786 CB TYR A 227 9.949 9.046 -6.926 1.00 0.00 C ATOM 787 CG TYR A 227 10.055 8.637 -8.382 1.00 0.00 C ATOM 788 CD1 TYR A 227 9.005 7.996 -9.034 1.00 0.00 C ATOM 789 CD2 TYR A 227 11.211 8.897 -9.104 1.00 0.00 C ATOM 790 CE1 TYR A 227 9.112 7.624 -10.360 1.00 0.00 C ATOM 791 CE2 TYR A 227 11.323 8.527 -10.428 1.00 0.00 C ATOM 792 CZ TYR A 227 10.272 7.896 -11.051 1.00 0.00 C ATOM 793 OH TYR A 227 10.386 7.531 -12.371 1.00 0.00 O ATOM 0 H TYR A 227 8.585 10.882 -6.056 1.00 0.00 H new ATOM 0 HA TYR A 227 7.934 8.301 -7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.196 10.104 -6.840 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.696 8.497 -6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 227 8.093 7.786 -8.495 1.00 0.00 H new ATOM 0 HD2 TYR A 227 12.037 9.398 -8.621 1.00 0.00 H new ATOM 0 HE1 TYR A 227 8.291 7.123 -10.852 1.00 0.00 H new ATOM 0 HE2 TYR A 227 12.232 8.732 -10.973 1.00 0.00 H new ATOM 0 HH TYR A 227 11.267 7.797 -12.709 1.00 0.00 H new ATOM 803 N ILE A 228 8.458 6.650 -5.210 1.00 0.00 N ATOM 804 CA ILE A 228 8.535 5.715 -4.101 1.00 0.00 C ATOM 805 C ILE A 228 9.219 4.429 -4.519 1.00 0.00 C ATOM 806 O ILE A 228 8.830 3.809 -5.508 1.00 0.00 O ATOM 807 CB ILE A 228 7.122 5.360 -3.593 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.409 6.605 -3.053 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.169 4.273 -2.536 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.086 6.317 -2.381 1.00 0.00 C ATOM 0 H ILE A 228 8.189 6.227 -6.098 1.00 0.00 H new ATOM 0 HA ILE A 228 9.110 6.199 -3.312 1.00 0.00 H new ATOM 0 HB ILE A 228 6.555 4.976 -4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 228 7.065 7.105 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.242 7.300 -3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.157 4.048 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 228 7.620 3.375 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 228 7.764 4.614 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.647 7.250 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.410 5.846 -3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 228 5.245 5.648 -1.536 1.00 0.00 H new ATOM 822 N PRO A 229 10.230 3.979 -3.764 1.00 0.00 N ATOM 823 CA PRO A 229 10.905 2.733 -4.072 1.00 0.00 C ATOM 824 C PRO A 229 9.987 1.551 -3.811 1.00 0.00 C ATOM 825 O PRO A 229 9.829 1.121 -2.666 1.00 0.00 O ATOM 826 CB PRO A 229 12.096 2.694 -3.117 1.00 0.00 C ATOM 827 CG PRO A 229 11.731 3.609 -1.994 1.00 0.00 C ATOM 828 CD PRO A 229 10.761 4.624 -2.550 1.00 0.00 C ATOM 0 HA PRO A 229 11.205 2.675 -5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.278 1.682 -2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 229 13.009 3.024 -3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 229 11.278 3.052 -1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 229 12.617 4.101 -1.594 1.00 0.00 H new ATOM 0 HD2 PRO A 229 9.967 4.850 -1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 229 11.258 5.566 -2.783 1.00 0.00 H new ATOM 836 N SER A 230 9.367 1.046 -4.871 1.00 0.00 N ATOM 837 CA SER A 230 8.447 -0.086 -4.772 1.00 0.00 C ATOM 838 C SER A 230 9.107 -1.294 -4.095 1.00 0.00 C ATOM 839 O SER A 230 8.428 -2.240 -3.707 1.00 0.00 O ATOM 840 CB SER A 230 7.936 -0.464 -6.168 1.00 0.00 C ATOM 841 OG SER A 230 6.868 -1.396 -6.095 1.00 0.00 O ATOM 0 H SER A 230 9.485 1.405 -5.818 1.00 0.00 H new ATOM 0 HA SER A 230 7.604 0.215 -4.150 1.00 0.00 H new ATOM 0 HB2 SER A 230 7.603 0.433 -6.690 1.00 0.00 H new ATOM 0 HB3 SER A 230 8.752 -0.889 -6.753 1.00 0.00 H new ATOM 0 HG SER A 230 6.125 -1.087 -6.654 1.00 0.00 H new ATOM 847 N ASN A 231 10.424 -1.242 -3.915 1.00 0.00 N ATOM 848 CA ASN A 231 11.147 -2.316 -3.245 1.00 0.00 C ATOM 849 C ASN A 231 10.772 -2.351 -1.759 1.00 0.00 C ATOM 850 O ASN A 231 10.936 -3.366 -1.083 1.00 0.00 O ATOM 851 CB ASN A 231 12.659 -2.131 -3.422 1.00 0.00 C ATOM 852 CG ASN A 231 13.458 -3.271 -2.824 1.00 0.00 C ATOM 853 OD1 ASN A 231 13.234 -4.437 -3.151 1.00 0.00 O ATOM 854 ND2 ASN A 231 14.404 -2.941 -1.957 1.00 0.00 N ATOM 0 H ASN A 231 11.011 -0.467 -4.224 1.00 0.00 H new ATOM 0 HA ASN A 231 10.867 -3.268 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 231 12.890 -2.048 -4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 231 12.964 -1.194 -2.956 1.00 0.00 H new ATOM 0 HD21 ASN A 231 14.981 -3.666 -1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 231 14.555 -1.962 -1.715 1.00 0.00 H new ATOM 861 N TYR A 232 10.248 -1.229 -1.270 1.00 0.00 N ATOM 862 CA TYR A 232 9.824 -1.109 0.121 1.00 0.00 C ATOM 863 C TYR A 232 8.313 -1.303 0.249 1.00 0.00 C ATOM 864 O TYR A 232 7.788 -1.371 1.358 1.00 0.00 O ATOM 865 CB TYR A 232 10.188 0.275 0.678 1.00 0.00 C ATOM 866 CG TYR A 232 11.649 0.470 1.023 1.00 0.00 C ATOM 867 CD1 TYR A 232 12.648 0.303 0.072 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.024 0.845 2.307 1.00 0.00 C ATOM 869 CE1 TYR A 232 13.978 0.501 0.394 1.00 0.00 C ATOM 870 CE2 TYR A 232 13.350 1.041 2.635 1.00 0.00 C ATOM 871 CZ TYR A 232 14.321 0.869 1.676 1.00 0.00 C ATOM 872 OH TYR A 232 15.644 1.072 1.999 1.00 0.00 O ATOM 0 H TYR A 232 10.107 -0.384 -1.823 1.00 0.00 H new ATOM 0 HA TYR A 232 10.340 -1.884 0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 232 9.901 1.030 -0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 232 9.593 0.456 1.573 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.382 0.014 -0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 232 11.264 0.986 3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 232 14.744 0.368 -0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 232 13.624 1.328 3.639 1.00 0.00 H new ATOM 0 HH TYR A 232 15.715 1.328 2.942 1.00 0.00 H new ATOM 882 N VAL A 233 7.610 -1.372 -0.885 1.00 0.00 N ATOM 883 CA VAL A 233 6.157 -1.540 -0.869 1.00 0.00 C ATOM 884 C VAL A 233 5.727 -2.815 -1.593 1.00 0.00 C ATOM 885 O VAL A 233 6.546 -3.551 -2.145 1.00 0.00 O ATOM 886 CB VAL A 233 5.419 -0.331 -1.505 1.00 0.00 C ATOM 887 CG1 VAL A 233 5.770 0.964 -0.794 1.00 0.00 C ATOM 888 CG2 VAL A 233 5.725 -0.212 -2.986 1.00 0.00 C ATOM 0 H VAL A 233 8.020 -1.315 -1.817 1.00 0.00 H new ATOM 0 HA VAL A 233 5.879 -1.609 0.183 1.00 0.00 H new ATOM 0 HB VAL A 233 4.350 -0.511 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 233 5.238 1.792 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 233 5.481 0.893 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 233 6.844 1.138 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 233 5.193 0.644 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 233 6.797 -0.075 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 233 5.405 -1.120 -3.498 1.00 0.00 H new ATOM 898 N THR A 234 4.428 -3.045 -1.593 1.00 0.00 N ATOM 899 CA THR A 234 3.824 -4.191 -2.246 1.00 0.00 C ATOM 900 C THR A 234 2.456 -3.758 -2.735 1.00 0.00 C ATOM 901 O THR A 234 2.115 -2.592 -2.589 1.00 0.00 O ATOM 902 CB THR A 234 3.722 -5.364 -1.252 1.00 0.00 C ATOM 903 OG1 THR A 234 3.151 -6.511 -1.858 1.00 0.00 O ATOM 904 CG2 THR A 234 2.899 -5.043 -0.018 1.00 0.00 C ATOM 0 H THR A 234 3.753 -2.433 -1.133 1.00 0.00 H new ATOM 0 HA THR A 234 4.426 -4.534 -3.088 1.00 0.00 H new ATOM 0 HB THR A 234 4.751 -5.555 -0.948 1.00 0.00 H new ATOM 0 HG1 THR A 234 3.102 -7.237 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 234 2.870 -5.914 0.637 1.00 0.00 H new ATOM 0 HG22 THR A 234 3.351 -4.205 0.513 1.00 0.00 H new ATOM 0 HG23 THR A 234 1.884 -4.779 -0.316 1.00 0.00 H new ATOM 912 N GLY A 235 1.660 -4.664 -3.277 1.00 0.00 N ATOM 913 CA GLY A 235 0.331 -4.278 -3.711 1.00 0.00 C ATOM 914 C GLY A 235 -0.571 -4.189 -2.512 1.00 0.00 C ATOM 915 O GLY A 235 -0.328 -3.390 -1.622 1.00 0.00 O ATOM 0 H GLY A 235 1.902 -5.644 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 235 0.368 -3.318 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -0.059 -5.007 -4.422 1.00 0.00 H new ATOM 919 N LYS A 236 -1.570 -5.034 -2.421 1.00 0.00 N ATOM 920 CA LYS A 236 -2.401 -5.018 -1.239 1.00 0.00 C ATOM 921 C LYS A 236 -1.934 -6.110 -0.291 1.00 0.00 C ATOM 922 O LYS A 236 -2.726 -6.936 0.152 1.00 0.00 O ATOM 923 CB LYS A 236 -3.891 -5.154 -1.558 1.00 0.00 C ATOM 924 CG LYS A 236 -4.213 -5.574 -2.989 1.00 0.00 C ATOM 925 CD LYS A 236 -5.712 -5.484 -3.256 1.00 0.00 C ATOM 926 CE LYS A 236 -6.058 -5.739 -4.719 1.00 0.00 C ATOM 927 NZ LYS A 236 -5.725 -7.123 -5.162 1.00 0.00 N ATOM 0 H LYS A 236 -1.824 -5.723 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 236 -2.292 -4.045 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -4.327 -5.883 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -4.378 -4.199 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -3.675 -4.935 -3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -3.869 -6.594 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -6.234 -6.208 -2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -6.071 -4.496 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -7.122 -5.560 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -5.522 -5.024 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -5.982 -7.238 -6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -4.705 -7.289 -5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -6.256 -7.809 -4.588 1.00 0.00 H new