USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 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 : amide:sc= 0.446 K(o=0.45,f=-2.6!) USER MOD Set 1.2: A 227 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl 164:sc= -0.0627 (180deg=-0.379) USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= -2.26! K(o=-2.3!,f=-0.12) USER MOD Single : A 192 THR OG1 : rot -31:sc= 0.256 USER MOD Single : A 195 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.7) USER MOD Single : A 203 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.1!) USER MOD Single : A 205 TYR OH : rot -81:sc= 0.992 USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 221 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.932) 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 -115:sc= 1.69 USER MOD Single : A 231 ASN : amide:sc= 0.0572 X(o=0.057,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.701 0.039 -4.417 1.00 0.00 N ATOM 37 CA ILE A 182 -3.045 0.702 -3.310 1.00 0.00 C ATOM 38 C ILE A 182 -1.799 -0.085 -2.908 1.00 0.00 C ATOM 39 O ILE A 182 -1.888 -1.236 -2.480 1.00 0.00 O ATOM 40 CB ILE A 182 -3.981 0.893 -2.092 1.00 0.00 C ATOM 41 CG1 ILE A 182 -4.553 -0.439 -1.598 1.00 0.00 C ATOM 42 CG2 ILE A 182 -5.113 1.842 -2.452 1.00 0.00 C ATOM 43 CD1 ILE A 182 -5.370 -0.306 -0.334 1.00 0.00 C ATOM 0 HA ILE A 182 -2.761 1.700 -3.645 1.00 0.00 H new ATOM 0 HB ILE A 182 -3.388 1.319 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -5.176 -0.872 -2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -3.733 -1.135 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.767 1.971 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.700 2.808 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.685 1.428 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -5.745 -1.286 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -4.745 0.098 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.210 0.366 -0.513 1.00 0.00 H new ATOM 55 N VAL A 183 -0.638 0.531 -3.067 1.00 0.00 N ATOM 56 CA VAL A 183 0.606 -0.122 -2.735 1.00 0.00 C ATOM 57 C VAL A 183 0.958 0.100 -1.264 1.00 0.00 C ATOM 58 O VAL A 183 1.259 1.211 -0.829 1.00 0.00 O ATOM 59 CB VAL A 183 1.756 0.334 -3.673 1.00 0.00 C ATOM 60 CG1 VAL A 183 1.394 0.042 -5.119 1.00 0.00 C ATOM 61 CG2 VAL A 183 2.064 1.813 -3.530 1.00 0.00 C ATOM 0 H VAL A 183 -0.537 1.481 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 183 0.475 -1.193 -2.889 1.00 0.00 H new ATOM 0 HB VAL A 183 2.645 -0.226 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 183 2.206 0.365 -5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.232 -1.029 -5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 183 0.483 0.580 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.875 2.083 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 183 1.176 2.395 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 183 2.362 2.025 -2.503 1.00 0.00 H new ATOM 71 N VAL A 184 0.885 -0.966 -0.490 1.00 0.00 N ATOM 72 CA VAL A 184 1.164 -0.899 0.929 1.00 0.00 C ATOM 73 C VAL A 184 2.669 -0.949 1.186 1.00 0.00 C ATOM 74 O VAL A 184 3.330 -1.941 0.879 1.00 0.00 O ATOM 75 CB VAL A 184 0.460 -2.051 1.680 1.00 0.00 C ATOM 76 CG1 VAL A 184 0.553 -1.848 3.180 1.00 0.00 C ATOM 77 CG2 VAL A 184 -1.000 -2.160 1.252 1.00 0.00 C ATOM 0 H VAL A 184 0.632 -1.896 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 184 0.777 0.049 1.303 1.00 0.00 H new ATOM 0 HB VAL A 184 0.967 -2.981 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 184 0.051 -2.670 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 184 1.601 -1.821 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 184 0.074 -0.907 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -1.478 -2.977 1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -1.516 -1.226 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -1.052 -2.355 0.181 1.00 0.00 H new ATOM 87 N ALA A 185 3.204 0.124 1.753 1.00 0.00 N ATOM 88 CA ALA A 185 4.627 0.199 2.057 1.00 0.00 C ATOM 89 C ALA A 185 4.962 -0.683 3.253 1.00 0.00 C ATOM 90 O ALA A 185 4.258 -0.667 4.260 1.00 0.00 O ATOM 91 CB ALA A 185 5.046 1.636 2.337 1.00 0.00 C ATOM 0 H ALA A 185 2.673 0.956 2.012 1.00 0.00 H new ATOM 0 HA ALA A 185 5.178 -0.159 1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.112 1.667 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.841 2.252 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.485 2.019 3.189 1.00 0.00 H new ATOM 97 N MET A 186 6.038 -1.448 3.139 1.00 0.00 N ATOM 98 CA MET A 186 6.468 -2.332 4.214 1.00 0.00 C ATOM 99 C MET A 186 7.527 -1.638 5.056 1.00 0.00 C ATOM 100 O MET A 186 7.364 -1.466 6.263 1.00 0.00 O ATOM 101 CB MET A 186 7.026 -3.644 3.646 1.00 0.00 C ATOM 102 CG MET A 186 6.051 -4.391 2.756 1.00 0.00 C ATOM 103 SD MET A 186 6.782 -5.853 1.993 1.00 0.00 S ATOM 104 CE MET A 186 7.139 -6.856 3.433 1.00 0.00 C ATOM 0 H MET A 186 6.632 -1.475 2.310 1.00 0.00 H new ATOM 0 HA MET A 186 5.606 -2.567 4.839 1.00 0.00 H new ATOM 0 HB2 MET A 186 7.930 -3.427 3.077 1.00 0.00 H new ATOM 0 HB3 MET A 186 7.318 -4.292 4.473 1.00 0.00 H new ATOM 0 HG2 MET A 186 5.184 -4.689 3.345 1.00 0.00 H new ATOM 0 HG3 MET A 186 5.691 -3.721 1.975 1.00 0.00 H new ATOM 0 HE1 MET A 186 7.324 -7.885 3.123 1.00 0.00 H new ATOM 0 HE2 MET A 186 8.022 -6.465 3.939 1.00 0.00 H new ATOM 0 HE3 MET A 186 6.289 -6.830 4.115 1.00 0.00 H new ATOM 114 N TYR A 187 8.603 -1.224 4.399 1.00 0.00 N ATOM 115 CA TYR A 187 9.690 -0.530 5.068 1.00 0.00 C ATOM 116 C TYR A 187 9.521 0.973 4.887 1.00 0.00 C ATOM 117 O TYR A 187 8.934 1.422 3.902 1.00 0.00 O ATOM 118 CB TYR A 187 11.048 -0.987 4.524 1.00 0.00 C ATOM 119 CG TYR A 187 11.293 -2.474 4.668 1.00 0.00 C ATOM 120 CD1 TYR A 187 11.189 -3.102 5.904 1.00 0.00 C ATOM 121 CD2 TYR A 187 11.637 -3.246 3.569 1.00 0.00 C ATOM 122 CE1 TYR A 187 11.420 -4.457 6.038 1.00 0.00 C ATOM 123 CE2 TYR A 187 11.869 -4.604 3.693 1.00 0.00 C ATOM 124 CZ TYR A 187 11.760 -5.205 4.932 1.00 0.00 C ATOM 125 OH TYR A 187 11.995 -6.555 5.062 1.00 0.00 O ATOM 0 H TYR A 187 8.744 -1.359 3.398 1.00 0.00 H new ATOM 0 HA TYR A 187 9.659 -0.770 6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 187 11.117 -0.717 3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.838 -0.446 5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 187 10.923 -2.520 6.774 1.00 0.00 H new ATOM 0 HD2 TYR A 187 11.725 -2.779 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 187 11.334 -4.928 7.006 1.00 0.00 H new ATOM 0 HE2 TYR A 187 12.134 -5.191 2.826 1.00 0.00 H new ATOM 0 HH TYR A 187 12.222 -6.933 4.187 1.00 0.00 H new ATOM 135 N ASP A 188 10.023 1.743 5.845 1.00 0.00 N ATOM 136 CA ASP A 188 9.907 3.198 5.794 1.00 0.00 C ATOM 137 C ASP A 188 10.987 3.816 4.907 1.00 0.00 C ATOM 138 O ASP A 188 11.996 3.181 4.596 1.00 0.00 O ATOM 139 CB ASP A 188 9.970 3.799 7.212 1.00 0.00 C ATOM 140 CG ASP A 188 11.312 3.606 7.884 1.00 0.00 C ATOM 141 OD1 ASP A 188 12.280 4.295 7.502 1.00 0.00 O ATOM 142 OD2 ASP A 188 11.400 2.765 8.799 1.00 0.00 O ATOM 0 H ASP A 188 10.513 1.387 6.665 1.00 0.00 H new ATOM 0 HA ASP A 188 8.938 3.435 5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 188 9.748 4.865 7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 188 9.194 3.343 7.827 1.00 0.00 H new ATOM 147 N PHE A 189 10.768 5.068 4.519 1.00 0.00 N ATOM 148 CA PHE A 189 11.705 5.810 3.677 1.00 0.00 C ATOM 149 C PHE A 189 11.506 7.303 3.898 1.00 0.00 C ATOM 150 O PHE A 189 10.374 7.771 4.027 1.00 0.00 O ATOM 151 CB PHE A 189 11.506 5.453 2.198 1.00 0.00 C ATOM 152 CG PHE A 189 12.390 6.214 1.254 1.00 0.00 C ATOM 153 CD1 PHE A 189 13.770 6.167 1.379 1.00 0.00 C ATOM 154 CD2 PHE A 189 11.838 6.974 0.238 1.00 0.00 C ATOM 155 CE1 PHE A 189 14.580 6.864 0.504 1.00 0.00 C ATOM 156 CE2 PHE A 189 12.645 7.673 -0.639 1.00 0.00 C ATOM 157 CZ PHE A 189 14.017 7.619 -0.505 1.00 0.00 C ATOM 0 H PHE A 189 9.936 5.599 4.778 1.00 0.00 H new ATOM 0 HA PHE A 189 12.724 5.538 3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.687 4.386 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.465 5.635 1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 189 14.216 5.580 2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 189 10.765 7.021 0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 189 15.654 6.818 0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 189 12.202 8.261 -1.429 1.00 0.00 H new ATOM 0 HZ PHE A 189 14.649 8.166 -1.188 1.00 0.00 H new ATOM 167 N GLN A 190 12.601 8.041 3.964 1.00 0.00 N ATOM 168 CA GLN A 190 12.537 9.475 4.195 1.00 0.00 C ATOM 169 C GLN A 190 12.700 10.260 2.899 1.00 0.00 C ATOM 170 O GLN A 190 13.552 9.945 2.070 1.00 0.00 O ATOM 171 CB GLN A 190 13.627 9.898 5.182 1.00 0.00 C ATOM 172 CG GLN A 190 13.676 11.397 5.440 1.00 0.00 C ATOM 173 CD GLN A 190 14.967 11.833 6.098 1.00 0.00 C ATOM 174 OE1 GLN A 190 15.148 13.004 6.423 1.00 0.00 O ATOM 175 NE2 GLN A 190 15.879 10.890 6.275 1.00 0.00 N ATOM 0 H GLN A 190 13.546 7.671 3.861 1.00 0.00 H new ATOM 0 HA GLN A 190 11.554 9.697 4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 190 13.467 9.381 6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 190 14.595 9.573 4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 190 13.556 11.928 4.496 1.00 0.00 H new ATOM 0 HG3 GLN A 190 12.836 11.680 6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 190 15.683 9.931 5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 190 16.778 11.123 6.697 1.00 0.00 H new ATOM 184 N ALA A 191 11.912 11.314 2.755 1.00 0.00 N ATOM 185 CA ALA A 191 11.994 12.178 1.588 1.00 0.00 C ATOM 186 C ALA A 191 12.780 13.429 1.939 1.00 0.00 C ATOM 187 O ALA A 191 12.205 14.497 2.146 1.00 0.00 O ATOM 188 CB ALA A 191 10.609 12.548 1.092 1.00 0.00 C ATOM 0 H ALA A 191 11.205 11.593 3.436 1.00 0.00 H new ATOM 0 HA ALA A 191 12.505 11.642 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 191 10.696 13.195 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 191 10.066 11.643 0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 191 10.069 13.073 1.880 1.00 0.00 H new ATOM 194 N THR A 192 14.091 13.289 2.028 1.00 0.00 N ATOM 195 CA THR A 192 14.952 14.409 2.379 1.00 0.00 C ATOM 196 C THR A 192 15.209 15.309 1.169 1.00 0.00 C ATOM 197 O THR A 192 15.807 16.376 1.299 1.00 0.00 O ATOM 198 CB THR A 192 16.271 13.897 2.973 1.00 0.00 C ATOM 199 OG1 THR A 192 17.067 14.968 3.449 1.00 0.00 O ATOM 200 CG2 THR A 192 17.111 13.107 1.997 1.00 0.00 C ATOM 0 H THR A 192 14.584 12.412 1.862 1.00 0.00 H new ATOM 0 HA THR A 192 14.443 15.010 3.132 1.00 0.00 H new ATOM 0 HB THR A 192 15.970 13.236 3.786 1.00 0.00 H new ATOM 0 HG1 THR A 192 16.897 15.767 2.908 1.00 0.00 H new ATOM 0 HG21 THR A 192 18.027 12.778 2.488 1.00 0.00 H new ATOM 0 HG22 THR A 192 16.550 12.237 1.655 1.00 0.00 H new ATOM 0 HG23 THR A 192 17.363 13.735 1.142 1.00 0.00 H new ATOM 208 N GLU A 193 14.760 14.880 -0.005 1.00 0.00 N ATOM 209 CA GLU A 193 14.952 15.666 -1.212 1.00 0.00 C ATOM 210 C GLU A 193 13.660 16.386 -1.611 1.00 0.00 C ATOM 211 O GLU A 193 13.355 17.446 -1.061 1.00 0.00 O ATOM 212 CB GLU A 193 15.487 14.787 -2.342 1.00 0.00 C ATOM 213 CG GLU A 193 16.805 14.114 -1.988 1.00 0.00 C ATOM 214 CD GLU A 193 17.554 13.591 -3.192 1.00 0.00 C ATOM 215 OE1 GLU A 193 17.063 13.757 -4.323 1.00 0.00 O ATOM 216 OE2 GLU A 193 18.655 13.029 -3.002 1.00 0.00 O ATOM 0 H GLU A 193 14.265 13.999 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 193 15.697 16.436 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 193 14.748 14.024 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 193 15.623 15.395 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 193 17.437 14.826 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 193 16.611 13.288 -1.303 1.00 0.00 H new ATOM 223 N ALA A 194 12.897 15.821 -2.554 1.00 0.00 N ATOM 224 CA ALA A 194 11.645 16.455 -2.988 1.00 0.00 C ATOM 225 C ALA A 194 10.789 15.542 -3.861 1.00 0.00 C ATOM 226 O ALA A 194 9.585 15.419 -3.640 1.00 0.00 O ATOM 227 CB ALA A 194 11.929 17.746 -3.741 1.00 0.00 C ATOM 0 H ALA A 194 13.118 14.943 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 194 11.082 16.669 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 194 10.988 18.199 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 194 12.466 18.436 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 194 12.536 17.529 -4.620 1.00 0.00 H new ATOM 233 N HIS A 195 11.400 14.927 -4.870 1.00 0.00 N ATOM 234 CA HIS A 195 10.663 14.054 -5.784 1.00 0.00 C ATOM 235 C HIS A 195 10.230 12.754 -5.108 1.00 0.00 C ATOM 236 O HIS A 195 9.286 12.109 -5.556 1.00 0.00 O ATOM 237 CB HIS A 195 11.493 13.740 -7.035 1.00 0.00 C ATOM 238 CG HIS A 195 12.751 12.969 -6.764 1.00 0.00 C ATOM 239 ND1 HIS A 195 13.873 13.523 -6.189 1.00 0.00 N ATOM 240 CD2 HIS A 195 13.039 11.661 -6.961 1.00 0.00 C ATOM 241 CE1 HIS A 195 14.797 12.589 -6.045 1.00 0.00 C ATOM 242 NE2 HIS A 195 14.316 11.446 -6.505 1.00 0.00 N ATOM 0 H HIS A 195 12.395 15.015 -5.076 1.00 0.00 H new ATOM 0 HA HIS A 195 9.765 14.595 -6.081 1.00 0.00 H new ATOM 0 HB2 HIS A 195 10.877 13.173 -7.733 1.00 0.00 H new ATOM 0 HB3 HIS A 195 11.754 14.676 -7.528 1.00 0.00 H new ATOM 0 HD2 HIS A 195 12.384 10.922 -7.397 1.00 0.00 H new ATOM 0 HE1 HIS A 195 15.780 12.735 -5.622 1.00 0.00 H new ATOM 0 HE2 HIS A 195 14.811 10.554 -6.519 1.00 0.00 H new ATOM 251 N ASP A 196 10.922 12.370 -4.038 1.00 0.00 N ATOM 252 CA ASP A 196 10.592 11.142 -3.317 1.00 0.00 C ATOM 253 C ASP A 196 9.484 11.392 -2.311 1.00 0.00 C ATOM 254 O ASP A 196 9.288 12.518 -1.854 1.00 0.00 O ATOM 255 CB ASP A 196 11.810 10.588 -2.572 1.00 0.00 C ATOM 256 CG ASP A 196 12.957 10.235 -3.484 1.00 0.00 C ATOM 257 OD1 ASP A 196 12.745 9.456 -4.435 1.00 0.00 O ATOM 258 OD2 ASP A 196 14.078 10.724 -3.236 1.00 0.00 O ATOM 0 H ASP A 196 11.711 12.888 -3.652 1.00 0.00 H new ATOM 0 HA ASP A 196 10.263 10.415 -4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 196 12.148 11.325 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 196 11.513 9.701 -2.013 1.00 0.00 H new ATOM 263 N LEU A 197 8.783 10.336 -1.944 1.00 0.00 N ATOM 264 CA LEU A 197 7.716 10.447 -0.964 1.00 0.00 C ATOM 265 C LEU A 197 8.061 9.595 0.251 1.00 0.00 C ATOM 266 O LEU A 197 8.776 8.601 0.140 1.00 0.00 O ATOM 267 CB LEU A 197 6.369 10.030 -1.569 1.00 0.00 C ATOM 268 CG LEU A 197 5.216 11.024 -1.354 1.00 0.00 C ATOM 269 CD1 LEU A 197 4.690 10.949 0.074 1.00 0.00 C ATOM 270 CD2 LEU A 197 5.667 12.441 -1.679 1.00 0.00 C ATOM 0 H LEU A 197 8.931 9.394 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 197 7.621 11.487 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 197 6.502 9.879 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.081 9.068 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 197 4.405 10.752 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 197 3.875 11.662 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 197 4.325 9.942 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 197 5.493 11.190 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 197 4.839 13.132 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 197 6.498 12.716 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 197 5.988 12.491 -2.719 1.00 0.00 H new ATOM 282 N ARG A 198 7.577 9.998 1.415 1.00 0.00 N ATOM 283 CA ARG A 198 7.864 9.270 2.645 1.00 0.00 C ATOM 284 C ARG A 198 7.073 7.975 2.754 1.00 0.00 C ATOM 285 O ARG A 198 5.853 7.970 2.619 1.00 0.00 O ATOM 286 CB ARG A 198 7.575 10.134 3.870 1.00 0.00 C ATOM 287 CG ARG A 198 8.779 10.921 4.362 1.00 0.00 C ATOM 288 CD ARG A 198 9.024 10.666 5.840 1.00 0.00 C ATOM 289 NE ARG A 198 9.130 9.239 6.135 1.00 0.00 N ATOM 290 CZ ARG A 198 9.290 8.740 7.362 1.00 0.00 C ATOM 291 NH1 ARG A 198 9.417 9.555 8.404 1.00 0.00 N ATOM 292 NH2 ARG A 198 9.293 7.424 7.539 1.00 0.00 N ATOM 0 H ARG A 198 6.986 10.821 1.536 1.00 0.00 H new ATOM 0 HA ARG A 198 8.924 9.019 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 198 6.771 10.830 3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 198 7.215 9.496 4.677 1.00 0.00 H new ATOM 0 HG2 ARG A 198 9.662 10.639 3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 198 8.616 11.986 4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 198 9.940 11.170 6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 198 8.211 11.098 6.423 1.00 0.00 H new ATOM 0 HE ARG A 198 9.079 8.584 5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 198 9.392 10.565 8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 198 9.539 9.170 9.341 1.00 0.00 H new ATOM 0 HH21 ARG A 198 9.174 6.802 6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 198 9.415 7.035 8.474 1.00 0.00 H new ATOM 306 N LEU A 199 7.779 6.889 3.045 1.00 0.00 N ATOM 307 CA LEU A 199 7.146 5.587 3.225 1.00 0.00 C ATOM 308 C LEU A 199 7.007 5.290 4.706 1.00 0.00 C ATOM 309 O LEU A 199 7.873 5.669 5.506 1.00 0.00 O ATOM 310 CB LEU A 199 7.958 4.466 2.576 1.00 0.00 C ATOM 311 CG LEU A 199 7.833 4.331 1.062 1.00 0.00 C ATOM 312 CD1 LEU A 199 8.574 5.446 0.348 1.00 0.00 C ATOM 313 CD2 LEU A 199 8.368 2.983 0.624 1.00 0.00 C ATOM 0 H LEU A 199 8.792 6.884 3.162 1.00 0.00 H new ATOM 0 HA LEU A 199 6.168 5.628 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 199 9.009 4.619 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 199 7.660 3.521 3.030 1.00 0.00 H new ATOM 0 HG LEU A 199 6.779 4.407 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 199 8.466 5.323 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 199 8.158 6.408 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 199 9.630 5.409 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 199 8.277 2.890 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 199 9.417 2.898 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 199 7.796 2.190 1.106 1.00 0.00 H new ATOM 325 N GLU A 200 5.936 4.600 5.066 1.00 0.00 N ATOM 326 CA GLU A 200 5.694 4.233 6.453 1.00 0.00 C ATOM 327 C GLU A 200 5.389 2.747 6.536 1.00 0.00 C ATOM 328 O GLU A 200 4.997 2.134 5.542 1.00 0.00 O ATOM 329 CB GLU A 200 4.528 5.038 7.044 1.00 0.00 C ATOM 330 CG GLU A 200 4.713 6.548 6.983 1.00 0.00 C ATOM 331 CD GLU A 200 5.777 7.062 7.927 1.00 0.00 C ATOM 332 OE1 GLU A 200 6.356 6.251 8.681 1.00 0.00 O ATOM 333 OE2 GLU A 200 6.029 8.284 7.926 1.00 0.00 O ATOM 0 H GLU A 200 5.218 4.282 4.415 1.00 0.00 H new ATOM 0 HA GLU A 200 6.589 4.460 7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 200 3.614 4.774 6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 200 4.389 4.743 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 200 4.973 6.834 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 200 3.765 7.032 7.218 1.00 0.00 H new ATOM 340 N ARG A 201 5.568 2.172 7.712 1.00 0.00 N ATOM 341 CA ARG A 201 5.307 0.754 7.901 1.00 0.00 C ATOM 342 C ARG A 201 3.811 0.471 7.928 1.00 0.00 C ATOM 343 O ARG A 201 3.116 0.856 8.874 1.00 0.00 O ATOM 344 CB ARG A 201 5.944 0.249 9.194 1.00 0.00 C ATOM 345 CG ARG A 201 7.464 0.331 9.219 1.00 0.00 C ATOM 346 CD ARG A 201 8.017 -0.291 10.492 1.00 0.00 C ATOM 347 NE ARG A 201 7.586 0.437 11.679 1.00 0.00 N ATOM 348 CZ ARG A 201 7.506 -0.105 12.891 1.00 0.00 C ATOM 349 NH1 ARG A 201 7.792 -1.393 13.064 1.00 0.00 N ATOM 350 NH2 ARG A 201 7.131 0.642 13.917 1.00 0.00 N ATOM 0 H ARG A 201 5.891 2.661 8.547 1.00 0.00 H new ATOM 0 HA ARG A 201 5.751 0.227 7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 201 5.547 0.825 10.030 1.00 0.00 H new ATOM 0 HB3 ARG A 201 5.645 -0.787 9.351 1.00 0.00 H new ATOM 0 HG2 ARG A 201 7.875 -0.182 8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 201 7.778 1.373 9.152 1.00 0.00 H new ATOM 0 HD2 ARG A 201 7.689 -1.328 10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 201 9.106 -0.303 10.448 1.00 0.00 H new ATOM 0 HE ARG A 201 7.331 1.419 11.574 1.00 0.00 H new ATOM 0 HH11 ARG A 201 8.073 -1.965 12.267 1.00 0.00 H new ATOM 0 HH12 ARG A 201 7.731 -1.809 13.993 1.00 0.00 H new ATOM 0 HH21 ARG A 201 6.906 1.627 13.775 1.00 0.00 H new ATOM 0 HH22 ARG A 201 7.067 0.233 14.849 1.00 0.00 H new ATOM 364 N GLY A 202 3.324 -0.212 6.899 1.00 0.00 N ATOM 365 CA GLY A 202 1.915 -0.552 6.825 1.00 0.00 C ATOM 366 C GLY A 202 1.064 0.568 6.269 1.00 0.00 C ATOM 367 O GLY A 202 -0.151 0.585 6.464 1.00 0.00 O ATOM 0 H GLY A 202 3.883 -0.538 6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 202 1.793 -1.437 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.557 -0.812 7.821 1.00 0.00 H new ATOM 371 N GLN A 203 1.691 1.501 5.566 1.00 0.00 N ATOM 372 CA GLN A 203 0.962 2.619 4.979 1.00 0.00 C ATOM 373 C GLN A 203 0.680 2.354 3.504 1.00 0.00 C ATOM 374 O GLN A 203 1.601 2.107 2.727 1.00 0.00 O ATOM 375 CB GLN A 203 1.767 3.912 5.123 1.00 0.00 C ATOM 376 CG GLN A 203 1.015 5.169 4.707 1.00 0.00 C ATOM 377 CD GLN A 203 0.046 5.642 5.773 1.00 0.00 C ATOM 378 OE1 GLN A 203 -0.879 4.925 6.153 1.00 0.00 O ATOM 379 NE2 GLN A 203 0.256 6.854 6.271 1.00 0.00 N ATOM 0 H GLN A 203 2.695 1.508 5.389 1.00 0.00 H new ATOM 0 HA GLN A 203 0.015 2.726 5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.080 4.017 6.162 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.674 3.830 4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 203 1.730 5.963 4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 203 0.469 4.974 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 203 1.034 7.418 5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -0.361 7.222 6.995 1.00 0.00 H new ATOM 388 N GLU A 204 -0.590 2.403 3.121 1.00 0.00 N ATOM 389 CA GLU A 204 -0.973 2.165 1.739 1.00 0.00 C ATOM 390 C GLU A 204 -0.926 3.458 0.928 1.00 0.00 C ATOM 391 O GLU A 204 -1.386 4.512 1.375 1.00 0.00 O ATOM 392 CB GLU A 204 -2.365 1.516 1.655 1.00 0.00 C ATOM 393 CG GLU A 204 -3.502 2.323 2.279 1.00 0.00 C ATOM 394 CD GLU A 204 -3.702 2.056 3.755 1.00 0.00 C ATOM 395 OE1 GLU A 204 -2.842 2.450 4.566 1.00 0.00 O ATOM 396 OE2 GLU A 204 -4.729 1.449 4.109 1.00 0.00 O ATOM 0 H GLU A 204 -1.369 2.605 3.748 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.252 1.470 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -2.602 1.338 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -2.323 0.542 2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -3.303 3.385 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -4.428 2.098 1.750 1.00 0.00 H new ATOM 403 N TYR A 205 -0.361 3.367 -0.267 1.00 0.00 N ATOM 404 CA TYR A 205 -0.242 4.515 -1.156 1.00 0.00 C ATOM 405 C TYR A 205 -0.934 4.224 -2.475 1.00 0.00 C ATOM 406 O TYR A 205 -1.203 3.076 -2.800 1.00 0.00 O ATOM 407 CB TYR A 205 1.231 4.855 -1.396 1.00 0.00 C ATOM 408 CG TYR A 205 1.964 5.242 -0.139 1.00 0.00 C ATOM 409 CD1 TYR A 205 1.593 6.370 0.573 1.00 0.00 C ATOM 410 CD2 TYR A 205 3.016 4.477 0.344 1.00 0.00 C ATOM 411 CE1 TYR A 205 2.245 6.728 1.731 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.675 4.830 1.503 1.00 0.00 C ATOM 413 CZ TYR A 205 3.286 5.956 2.192 1.00 0.00 C ATOM 414 OH TYR A 205 3.938 6.305 3.344 1.00 0.00 O ATOM 0 H TYR A 205 0.025 2.503 -0.646 1.00 0.00 H new ATOM 0 HA TYR A 205 -0.723 5.373 -0.685 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.726 3.995 -1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 205 1.296 5.673 -2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 205 0.777 6.980 0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 205 3.323 3.593 -0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 205 1.941 7.610 2.275 1.00 0.00 H new ATOM 0 HE2 TYR A 205 4.492 4.226 1.868 1.00 0.00 H new ATOM 0 HH TYR A 205 4.591 7.010 3.150 1.00 0.00 H new ATOM 424 N ILE A 206 -1.234 5.259 -3.228 1.00 0.00 N ATOM 425 CA ILE A 206 -1.910 5.083 -4.500 1.00 0.00 C ATOM 426 C ILE A 206 -0.941 5.336 -5.652 1.00 0.00 C ATOM 427 O ILE A 206 -0.610 6.483 -5.951 1.00 0.00 O ATOM 428 CB ILE A 206 -3.133 6.031 -4.633 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.084 5.901 -3.432 1.00 0.00 C ATOM 430 CG2 ILE A 206 -3.889 5.751 -5.921 1.00 0.00 C ATOM 431 CD1 ILE A 206 -3.657 6.681 -2.200 1.00 0.00 C ATOM 0 H ILE A 206 -1.023 6.227 -2.986 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.269 4.055 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 206 -2.751 7.052 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.076 6.237 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.171 4.847 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -4.742 6.425 -5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -3.227 5.907 -6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.241 4.719 -5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.386 6.531 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -2.680 6.331 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -3.599 7.742 -2.443 1.00 0.00 H new ATOM 443 N ILE A 207 -0.482 4.261 -6.285 1.00 0.00 N ATOM 444 CA ILE A 207 0.457 4.360 -7.395 1.00 0.00 C ATOM 445 C ILE A 207 -0.146 5.132 -8.573 1.00 0.00 C ATOM 446 O ILE A 207 -1.153 4.727 -9.159 1.00 0.00 O ATOM 447 CB ILE A 207 0.939 2.952 -7.830 1.00 0.00 C ATOM 448 CG1 ILE A 207 1.508 2.954 -9.248 1.00 0.00 C ATOM 449 CG2 ILE A 207 -0.175 1.923 -7.703 1.00 0.00 C ATOM 450 CD1 ILE A 207 2.807 3.718 -9.392 1.00 0.00 C ATOM 0 H ILE A 207 -0.748 3.306 -6.045 1.00 0.00 H new ATOM 0 HA ILE A 207 1.325 4.923 -7.052 1.00 0.00 H new ATOM 0 HB ILE A 207 1.745 2.672 -7.152 1.00 0.00 H new ATOM 0 HG12 ILE A 207 1.668 1.924 -9.565 1.00 0.00 H new ATOM 0 HG13 ILE A 207 0.769 3.384 -9.924 1.00 0.00 H new ATOM 0 HG21 ILE A 207 0.195 0.946 -8.015 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -0.506 1.871 -6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -1.013 2.214 -8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 207 3.144 3.671 -10.428 1.00 0.00 H new ATOM 0 HD12 ILE A 207 2.650 4.759 -9.108 1.00 0.00 H new ATOM 0 HD13 ILE A 207 3.563 3.275 -8.744 1.00 0.00 H new ATOM 462 N LEU A 208 0.481 6.255 -8.895 1.00 0.00 N ATOM 463 CA LEU A 208 0.036 7.115 -9.980 1.00 0.00 C ATOM 464 C LEU A 208 0.783 6.792 -11.262 1.00 0.00 C ATOM 465 O LEU A 208 0.223 6.222 -12.198 1.00 0.00 O ATOM 466 CB LEU A 208 0.297 8.577 -9.625 1.00 0.00 C ATOM 467 CG LEU A 208 -0.003 8.970 -8.183 1.00 0.00 C ATOM 468 CD1 LEU A 208 0.786 10.202 -7.814 1.00 0.00 C ATOM 469 CD2 LEU A 208 -1.487 9.212 -7.985 1.00 0.00 C ATOM 0 H LEU A 208 1.312 6.594 -8.411 1.00 0.00 H new ATOM 0 HA LEU A 208 -1.031 6.946 -10.128 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.343 8.801 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 208 -0.301 9.205 -10.285 1.00 0.00 H new ATOM 0 HG LEU A 208 0.293 8.149 -7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 208 0.568 10.478 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 208 1.851 9.996 -7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 208 0.510 11.023 -8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 208 -1.675 9.491 -6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 208 -1.815 10.017 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 208 -2.039 8.302 -8.222 1.00 0.00 H new ATOM 481 N GLU A 209 2.050 7.180 -11.300 1.00 0.00 N ATOM 482 CA GLU A 209 2.882 6.955 -12.469 1.00 0.00 C ATOM 483 C GLU A 209 3.689 5.676 -12.321 1.00 0.00 C ATOM 484 O GLU A 209 4.591 5.594 -11.488 1.00 0.00 O ATOM 485 CB GLU A 209 3.827 8.141 -12.685 1.00 0.00 C ATOM 486 CG GLU A 209 3.122 9.485 -12.757 1.00 0.00 C ATOM 487 CD GLU A 209 4.085 10.625 -12.990 1.00 0.00 C ATOM 488 OE1 GLU A 209 5.031 10.773 -12.196 1.00 0.00 O ATOM 489 OE2 GLU A 209 3.904 11.366 -13.975 1.00 0.00 O ATOM 0 H GLU A 209 2.524 7.654 -10.531 1.00 0.00 H new ATOM 0 HA GLU A 209 2.228 6.855 -13.335 1.00 0.00 H new ATOM 0 HB2 GLU A 209 4.554 8.166 -11.873 1.00 0.00 H new ATOM 0 HB3 GLU A 209 4.385 7.985 -13.608 1.00 0.00 H new ATOM 0 HG2 GLU A 209 2.386 9.464 -13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 209 2.576 9.657 -11.829 1.00 0.00 H new ATOM 496 N LYS A 210 3.370 4.690 -13.144 1.00 0.00 N ATOM 497 CA LYS A 210 4.074 3.419 -13.118 1.00 0.00 C ATOM 498 C LYS A 210 5.043 3.363 -14.300 1.00 0.00 C ATOM 499 O LYS A 210 4.943 2.488 -15.163 1.00 0.00 O ATOM 500 CB LYS A 210 3.064 2.269 -13.180 1.00 0.00 C ATOM 501 CG LYS A 210 3.604 0.931 -12.707 1.00 0.00 C ATOM 502 CD LYS A 210 2.521 -0.143 -12.745 1.00 0.00 C ATOM 503 CE LYS A 210 3.008 -1.476 -12.200 1.00 0.00 C ATOM 504 NZ LYS A 210 1.962 -2.523 -12.300 1.00 0.00 N ATOM 0 H LYS A 210 2.626 4.746 -13.840 1.00 0.00 H new ATOM 0 HA LYS A 210 4.642 3.322 -12.193 1.00 0.00 H new ATOM 0 HB2 LYS A 210 2.196 2.531 -12.574 1.00 0.00 H new ATOM 0 HB3 LYS A 210 2.715 2.163 -14.207 1.00 0.00 H new ATOM 0 HG2 LYS A 210 4.441 0.630 -13.337 1.00 0.00 H new ATOM 0 HG3 LYS A 210 3.988 1.029 -11.692 1.00 0.00 H new ATOM 0 HD2 LYS A 210 1.661 0.191 -12.165 1.00 0.00 H new ATOM 0 HD3 LYS A 210 2.181 -0.276 -13.772 1.00 0.00 H new ATOM 0 HE2 LYS A 210 3.894 -1.793 -12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 210 3.306 -1.357 -11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 2.329 -3.418 -11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 1.126 -2.232 -11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 1.696 -2.654 -13.297 1.00 0.00 H new ATOM 518 N ASN A 211 5.959 4.327 -14.341 1.00 0.00 N ATOM 519 CA ASN A 211 6.940 4.423 -15.423 1.00 0.00 C ATOM 520 C ASN A 211 8.041 3.382 -15.285 1.00 0.00 C ATOM 521 O ASN A 211 8.612 2.938 -16.283 1.00 0.00 O ATOM 522 CB ASN A 211 7.557 5.828 -15.478 1.00 0.00 C ATOM 523 CG ASN A 211 8.104 6.297 -14.142 1.00 0.00 C ATOM 524 OD1 ASN A 211 7.352 6.504 -13.186 1.00 0.00 O ATOM 525 ND2 ASN A 211 9.414 6.472 -14.066 1.00 0.00 N ATOM 0 H ASN A 211 6.044 5.057 -13.634 1.00 0.00 H new ATOM 0 HA ASN A 211 6.407 4.229 -16.354 1.00 0.00 H new ATOM 0 HB2 ASN A 211 8.361 5.836 -16.214 1.00 0.00 H new ATOM 0 HB3 ASN A 211 6.802 6.535 -15.822 1.00 0.00 H new ATOM 0 HD21 ASN A 211 9.836 6.789 -13.193 1.00 0.00 H new ATOM 0 HD22 ASN A 211 10.001 6.290 -14.880 1.00 0.00 H new ATOM 532 N ASP A 212 8.339 2.992 -14.056 1.00 0.00 N ATOM 533 CA ASP A 212 9.371 1.995 -13.812 1.00 0.00 C ATOM 534 C ASP A 212 8.844 0.921 -12.867 1.00 0.00 C ATOM 535 O ASP A 212 7.857 1.133 -12.170 1.00 0.00 O ATOM 536 CB ASP A 212 10.624 2.650 -13.221 1.00 0.00 C ATOM 537 CG ASP A 212 11.840 1.754 -13.321 1.00 0.00 C ATOM 538 OD1 ASP A 212 11.774 0.740 -14.045 1.00 0.00 O ATOM 539 OD2 ASP A 212 12.867 2.066 -12.690 1.00 0.00 O ATOM 0 H ASP A 212 7.884 3.348 -13.215 1.00 0.00 H new ATOM 0 HA ASP A 212 9.640 1.533 -14.762 1.00 0.00 H new ATOM 0 HB2 ASP A 212 10.822 3.587 -13.742 1.00 0.00 H new ATOM 0 HB3 ASP A 212 10.443 2.898 -12.175 1.00 0.00 H new ATOM 544 N LEU A 213 9.514 -0.221 -12.837 1.00 0.00 N ATOM 545 CA LEU A 213 9.119 -1.313 -11.962 1.00 0.00 C ATOM 546 C LEU A 213 9.835 -1.182 -10.626 1.00 0.00 C ATOM 547 O LEU A 213 9.449 -1.799 -9.632 1.00 0.00 O ATOM 548 CB LEU A 213 9.442 -2.671 -12.592 1.00 0.00 C ATOM 549 CG LEU A 213 8.578 -3.060 -13.803 1.00 0.00 C ATOM 550 CD1 LEU A 213 8.959 -2.264 -15.048 1.00 0.00 C ATOM 551 CD2 LEU A 213 8.670 -4.554 -14.073 1.00 0.00 C ATOM 0 H LEU A 213 10.335 -0.415 -13.410 1.00 0.00 H new ATOM 0 HA LEU A 213 8.041 -1.257 -11.809 1.00 0.00 H new ATOM 0 HB2 LEU A 213 10.488 -2.670 -12.899 1.00 0.00 H new ATOM 0 HB3 LEU A 213 9.334 -3.441 -11.828 1.00 0.00 H new ATOM 0 HG LEU A 213 7.545 -2.814 -13.559 1.00 0.00 H new ATOM 0 HD11 LEU A 213 8.326 -2.568 -15.882 1.00 0.00 H new ATOM 0 HD12 LEU A 213 8.821 -1.200 -14.856 1.00 0.00 H new ATOM 0 HD13 LEU A 213 10.003 -2.455 -15.297 1.00 0.00 H new ATOM 0 HD21 LEU A 213 8.051 -4.807 -14.934 1.00 0.00 H new ATOM 0 HD22 LEU A 213 9.706 -4.823 -14.279 1.00 0.00 H new ATOM 0 HD23 LEU A 213 8.319 -5.104 -13.200 1.00 0.00 H new ATOM 563 N HIS A 214 10.892 -0.378 -10.617 1.00 0.00 N ATOM 564 CA HIS A 214 11.683 -0.159 -9.412 1.00 0.00 C ATOM 565 C HIS A 214 11.222 1.102 -8.693 1.00 0.00 C ATOM 566 O HIS A 214 11.326 1.206 -7.470 1.00 0.00 O ATOM 567 CB HIS A 214 13.178 -0.033 -9.749 1.00 0.00 C ATOM 568 CG HIS A 214 13.776 -1.238 -10.408 1.00 0.00 C ATOM 569 ND1 HIS A 214 15.100 -1.296 -10.789 1.00 0.00 N ATOM 570 CD2 HIS A 214 13.235 -2.431 -10.758 1.00 0.00 C ATOM 571 CE1 HIS A 214 15.345 -2.465 -11.348 1.00 0.00 C ATOM 572 NE2 HIS A 214 14.234 -3.174 -11.338 1.00 0.00 N ATOM 0 H HIS A 214 11.222 0.135 -11.435 1.00 0.00 H new ATOM 0 HA HIS A 214 11.539 -1.021 -8.761 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.318 0.828 -10.402 1.00 0.00 H new ATOM 0 HB3 HIS A 214 13.727 0.172 -8.830 1.00 0.00 H new ATOM 0 HD2 HIS A 214 12.211 -2.739 -10.609 1.00 0.00 H new ATOM 0 HE1 HIS A 214 16.296 -2.787 -11.747 1.00 0.00 H new ATOM 0 HE2 HIS A 214 14.132 -4.121 -11.702 1.00 0.00 H new ATOM 581 N TRP A 215 10.734 2.066 -9.462 1.00 0.00 N ATOM 582 CA TRP A 215 10.279 3.325 -8.897 1.00 0.00 C ATOM 583 C TRP A 215 8.824 3.602 -9.232 1.00 0.00 C ATOM 584 O TRP A 215 8.481 3.881 -10.381 1.00 0.00 O ATOM 585 CB TRP A 215 11.149 4.474 -9.396 1.00 0.00 C ATOM 586 CG TRP A 215 12.534 4.436 -8.836 1.00 0.00 C ATOM 587 CD1 TRP A 215 13.617 3.766 -9.325 1.00 0.00 C ATOM 588 CD2 TRP A 215 12.965 5.071 -7.636 1.00 0.00 C ATOM 589 NE1 TRP A 215 14.705 3.974 -8.508 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.323 4.769 -7.459 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.321 5.874 -6.703 1.00 0.00 C ATOM 592 CZ2 TRP A 215 15.053 5.247 -6.375 1.00 0.00 C ATOM 593 CZ3 TRP A 215 13.037 6.345 -5.632 1.00 0.00 C ATOM 594 CH2 TRP A 215 14.393 6.031 -5.472 1.00 0.00 C ATOM 0 H TRP A 215 10.644 1.999 -10.476 1.00 0.00 H new ATOM 0 HA TRP A 215 10.365 3.245 -7.813 1.00 0.00 H new ATOM 0 HB2 TRP A 215 11.201 4.439 -10.484 1.00 0.00 H new ATOM 0 HB3 TRP A 215 10.680 5.421 -9.130 1.00 0.00 H new ATOM 0 HD1 TRP A 215 13.620 3.162 -10.220 1.00 0.00 H new ATOM 0 HE1 TRP A 215 15.641 3.598 -8.658 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.276 6.123 -6.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 16.099 5.008 -6.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 12.547 6.969 -4.899 1.00 0.00 H new ATOM 0 HH2 TRP A 215 14.928 6.417 -4.617 1.00 0.00 H new ATOM 605 N TRP A 216 7.975 3.542 -8.218 1.00 0.00 N ATOM 606 CA TRP A 216 6.558 3.806 -8.400 1.00 0.00 C ATOM 607 C TRP A 216 6.180 5.148 -7.793 1.00 0.00 C ATOM 608 O TRP A 216 6.254 5.329 -6.579 1.00 0.00 O ATOM 609 CB TRP A 216 5.699 2.707 -7.762 1.00 0.00 C ATOM 610 CG TRP A 216 5.696 1.409 -8.515 1.00 0.00 C ATOM 611 CD1 TRP A 216 6.136 1.193 -9.787 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.187 0.153 -8.050 1.00 0.00 C ATOM 613 NE1 TRP A 216 5.964 -0.127 -10.128 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.373 -0.784 -9.083 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.596 -0.268 -6.859 1.00 0.00 C ATOM 616 CZ2 TRP A 216 4.994 -2.117 -8.956 1.00 0.00 C ATOM 617 CZ3 TRP A 216 4.217 -1.587 -6.734 1.00 0.00 C ATOM 618 CH2 TRP A 216 4.413 -2.500 -7.781 1.00 0.00 C ATOM 0 H TRP A 216 8.243 3.313 -7.261 1.00 0.00 H new ATOM 0 HA TRP A 216 6.368 3.824 -9.473 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.057 2.525 -6.749 1.00 0.00 H new ATOM 0 HB3 TRP A 216 4.674 3.067 -7.678 1.00 0.00 H new ATOM 0 HD1 TRP A 216 6.558 1.949 -10.433 1.00 0.00 H new ATOM 0 HE1 TRP A 216 6.233 -0.549 -11.017 1.00 0.00 H new ATOM 0 HE3 TRP A 216 4.438 0.428 -6.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 5.154 -2.823 -9.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 3.761 -1.924 -5.814 1.00 0.00 H new ATOM 0 HH2 TRP A 216 4.098 -3.525 -7.655 1.00 0.00 H new ATOM 629 N ARG A 217 5.754 6.082 -8.629 1.00 0.00 N ATOM 630 CA ARG A 217 5.347 7.392 -8.145 1.00 0.00 C ATOM 631 C ARG A 217 3.927 7.293 -7.614 1.00 0.00 C ATOM 632 O ARG A 217 2.968 7.324 -8.382 1.00 0.00 O ATOM 633 CB ARG A 217 5.439 8.426 -9.268 1.00 0.00 C ATOM 634 CG ARG A 217 6.054 9.747 -8.839 1.00 0.00 C ATOM 635 CD ARG A 217 5.008 10.812 -8.579 1.00 0.00 C ATOM 636 NE ARG A 217 5.609 12.142 -8.454 1.00 0.00 N ATOM 637 CZ ARG A 217 4.904 13.271 -8.390 1.00 0.00 C ATOM 638 NH1 ARG A 217 3.598 13.240 -8.606 1.00 0.00 N ATOM 639 NH2 ARG A 217 5.509 14.433 -8.171 1.00 0.00 N ATOM 0 H ARG A 217 5.681 5.959 -9.639 1.00 0.00 H new ATOM 0 HA ARG A 217 6.011 7.715 -7.344 1.00 0.00 H new ATOM 0 HB2 ARG A 217 6.029 8.010 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 217 4.439 8.612 -9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 217 6.645 9.594 -7.936 1.00 0.00 H new ATOM 0 HG3 ARG A 217 6.738 10.095 -9.613 1.00 0.00 H new ATOM 0 HD2 ARG A 217 4.282 10.816 -9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 217 4.463 10.572 -7.666 1.00 0.00 H new ATOM 0 HE ARG A 217 6.626 12.208 -8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 217 3.137 12.355 -8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 217 3.053 14.101 -8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 217 6.521 14.466 -8.050 1.00 0.00 H new ATOM 0 HH22 ARG A 217 4.961 15.292 -8.124 1.00 0.00 H new ATOM 653 N ALA A 218 3.800 7.139 -6.304 1.00 0.00 N ATOM 654 CA ALA A 218 2.493 6.998 -5.684 1.00 0.00 C ATOM 655 C ALA A 218 2.104 8.240 -4.893 1.00 0.00 C ATOM 656 O ALA A 218 2.930 9.115 -4.635 1.00 0.00 O ATOM 657 CB ALA A 218 2.453 5.759 -4.803 1.00 0.00 C ATOM 0 H ALA A 218 4.584 7.109 -5.653 1.00 0.00 H new ATOM 0 HA ALA A 218 1.760 6.882 -6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.467 5.669 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.655 4.875 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.208 5.844 -4.022 1.00 0.00 H new ATOM 663 N ARG A 219 0.832 8.307 -4.532 1.00 0.00 N ATOM 664 CA ARG A 219 0.284 9.432 -3.791 1.00 0.00 C ATOM 665 C ARG A 219 -0.169 8.984 -2.401 1.00 0.00 C ATOM 666 O ARG A 219 -0.695 7.884 -2.241 1.00 0.00 O ATOM 667 CB ARG A 219 -0.896 10.011 -4.588 1.00 0.00 C ATOM 668 CG ARG A 219 -1.383 11.382 -4.143 1.00 0.00 C ATOM 669 CD ARG A 219 -2.451 11.294 -3.054 1.00 0.00 C ATOM 670 NE ARG A 219 -3.432 10.226 -3.280 1.00 0.00 N ATOM 671 CZ ARG A 219 -4.249 10.149 -4.337 1.00 0.00 C ATOM 672 NH1 ARG A 219 -4.220 11.069 -5.287 1.00 0.00 N ATOM 673 NH2 ARG A 219 -5.092 9.139 -4.443 1.00 0.00 N ATOM 0 H ARG A 219 0.149 7.580 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 219 1.048 10.199 -3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -0.607 10.071 -5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -1.730 9.312 -4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -0.538 11.963 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -1.787 11.918 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -1.965 11.132 -2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -2.973 12.249 -2.991 1.00 0.00 H new ATOM 0 HE ARG A 219 -3.496 9.488 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -3.569 11.851 -5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -4.849 10.996 -6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.120 8.420 -3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -5.716 9.078 -5.248 1.00 0.00 H new ATOM 687 N ASP A 220 0.047 9.837 -1.404 1.00 0.00 N ATOM 688 CA ASP A 220 -0.332 9.532 -0.025 1.00 0.00 C ATOM 689 C ASP A 220 -1.732 10.062 0.293 1.00 0.00 C ATOM 690 O ASP A 220 -2.728 9.409 -0.004 1.00 0.00 O ATOM 691 CB ASP A 220 0.695 10.111 0.960 1.00 0.00 C ATOM 692 CG ASP A 220 0.349 9.829 2.407 1.00 0.00 C ATOM 693 OD1 ASP A 220 0.146 8.654 2.757 1.00 0.00 O ATOM 694 OD2 ASP A 220 0.275 10.792 3.197 1.00 0.00 O ATOM 0 H ASP A 220 0.485 10.750 -1.525 1.00 0.00 H new ATOM 0 HA ASP A 220 -0.347 8.448 0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 220 1.678 9.694 0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 220 0.765 11.189 0.812 1.00 0.00 H new ATOM 699 N LYS A 221 -1.803 11.240 0.914 1.00 0.00 N ATOM 700 CA LYS A 221 -3.087 11.823 1.292 1.00 0.00 C ATOM 701 C LYS A 221 -3.697 12.713 0.205 1.00 0.00 C ATOM 702 O LYS A 221 -4.369 12.216 -0.700 1.00 0.00 O ATOM 703 CB LYS A 221 -2.961 12.583 2.619 1.00 0.00 C ATOM 704 CG LYS A 221 -1.716 13.458 2.738 1.00 0.00 C ATOM 705 CD LYS A 221 -1.693 14.191 4.069 1.00 0.00 C ATOM 706 CE LYS A 221 -1.493 13.228 5.231 1.00 0.00 C ATOM 707 NZ LYS A 221 -0.167 12.555 5.173 1.00 0.00 N ATOM 0 H LYS A 221 -0.991 11.805 1.164 1.00 0.00 H new ATOM 0 HA LYS A 221 -3.779 10.991 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -3.843 13.210 2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -2.961 11.862 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -0.823 12.841 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -1.694 14.179 1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -0.892 14.930 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -2.628 14.735 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -1.584 13.771 6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -2.282 12.476 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 0.122 12.275 6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -0.233 11.710 4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 0.537 13.209 4.776 1.00 0.00 H new ATOM 721 N TYR A 222 -3.506 14.029 0.312 1.00 0.00 N ATOM 722 CA TYR A 222 -4.091 14.964 -0.649 1.00 0.00 C ATOM 723 C TYR A 222 -3.021 15.776 -1.372 1.00 0.00 C ATOM 724 O TYR A 222 -2.922 16.990 -1.181 1.00 0.00 O ATOM 725 CB TYR A 222 -5.046 15.939 0.061 1.00 0.00 C ATOM 726 CG TYR A 222 -5.641 15.409 1.351 1.00 0.00 C ATOM 727 CD1 TYR A 222 -6.514 14.330 1.350 1.00 0.00 C ATOM 728 CD2 TYR A 222 -5.312 15.982 2.575 1.00 0.00 C ATOM 729 CE1 TYR A 222 -7.040 13.837 2.529 1.00 0.00 C ATOM 730 CE2 TYR A 222 -5.838 15.497 3.756 1.00 0.00 C ATOM 731 CZ TYR A 222 -6.698 14.424 3.728 1.00 0.00 C ATOM 732 OH TYR A 222 -7.214 13.930 4.903 1.00 0.00 O ATOM 0 H TYR A 222 -2.955 14.469 1.049 1.00 0.00 H new ATOM 0 HA TYR A 222 -4.636 14.366 -1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -4.508 16.862 0.276 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -5.857 16.194 -0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -6.787 13.868 0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -4.633 16.821 2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -7.716 12.995 2.511 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -5.575 15.958 4.697 1.00 0.00 H new ATOM 0 HH TYR A 222 -6.873 14.456 5.657 1.00 0.00 H new ATOM 742 N GLY A 223 -2.230 15.124 -2.208 1.00 0.00 N ATOM 743 CA GLY A 223 -1.204 15.842 -2.944 1.00 0.00 C ATOM 744 C GLY A 223 0.198 15.330 -2.693 1.00 0.00 C ATOM 745 O GLY A 223 1.136 15.732 -3.383 1.00 0.00 O ATOM 0 H GLY A 223 -2.276 14.122 -2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -1.420 15.774 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -1.249 16.898 -2.676 1.00 0.00 H new ATOM 749 N SER A 224 0.352 14.448 -1.713 1.00 0.00 N ATOM 750 CA SER A 224 1.663 13.894 -1.392 1.00 0.00 C ATOM 751 C SER A 224 2.031 12.777 -2.364 1.00 0.00 C ATOM 752 O SER A 224 1.939 11.597 -2.038 1.00 0.00 O ATOM 753 CB SER A 224 1.664 13.362 0.038 1.00 0.00 C ATOM 754 OG SER A 224 1.166 14.334 0.942 1.00 0.00 O ATOM 0 H SER A 224 -0.410 14.102 -1.129 1.00 0.00 H new ATOM 0 HA SER A 224 2.406 14.687 -1.483 1.00 0.00 H new ATOM 0 HB2 SER A 224 1.054 12.461 0.095 1.00 0.00 H new ATOM 0 HB3 SER A 224 2.677 13.079 0.324 1.00 0.00 H new ATOM 0 HG SER A 224 1.175 13.970 1.852 1.00 0.00 H new ATOM 760 N GLU A 225 2.438 13.157 -3.560 1.00 0.00 N ATOM 761 CA GLU A 225 2.808 12.195 -4.589 1.00 0.00 C ATOM 762 C GLU A 225 4.291 12.274 -4.900 1.00 0.00 C ATOM 763 O GLU A 225 4.860 13.360 -4.987 1.00 0.00 O ATOM 764 CB GLU A 225 1.981 12.445 -5.848 1.00 0.00 C ATOM 765 CG GLU A 225 1.618 13.904 -6.057 1.00 0.00 C ATOM 766 CD GLU A 225 0.836 14.137 -7.328 1.00 0.00 C ATOM 767 OE1 GLU A 225 -0.283 13.609 -7.443 1.00 0.00 O ATOM 768 OE2 GLU A 225 1.344 14.853 -8.212 1.00 0.00 O ATOM 0 H GLU A 225 2.522 14.132 -3.848 1.00 0.00 H new ATOM 0 HA GLU A 225 2.600 11.191 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 225 2.538 12.090 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 225 1.066 11.856 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 225 1.032 14.253 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 225 2.530 14.500 -6.083 1.00 0.00 H new ATOM 775 N GLY A 226 4.915 11.116 -5.061 1.00 0.00 N ATOM 776 CA GLY A 226 6.325 11.086 -5.352 1.00 0.00 C ATOM 777 C GLY A 226 6.852 9.682 -5.545 1.00 0.00 C ATOM 778 O GLY A 226 6.154 8.696 -5.283 1.00 0.00 O ATOM 0 H GLY A 226 4.468 10.202 -4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.518 11.669 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.870 11.565 -4.539 1.00 0.00 H new ATOM 782 N TYR A 227 8.090 9.609 -6.012 1.00 0.00 N ATOM 783 CA TYR A 227 8.774 8.342 -6.258 1.00 0.00 C ATOM 784 C TYR A 227 8.862 7.500 -4.995 1.00 0.00 C ATOM 785 O TYR A 227 9.166 8.005 -3.912 1.00 0.00 O ATOM 786 CB TYR A 227 10.185 8.590 -6.793 1.00 0.00 C ATOM 787 CG TYR A 227 10.267 8.717 -8.295 1.00 0.00 C ATOM 788 CD1 TYR A 227 9.160 8.468 -9.094 1.00 0.00 C ATOM 789 CD2 TYR A 227 11.457 9.071 -8.914 1.00 0.00 C ATOM 790 CE1 TYR A 227 9.231 8.578 -10.465 1.00 0.00 C ATOM 791 CE2 TYR A 227 11.537 9.183 -10.289 1.00 0.00 C ATOM 792 CZ TYR A 227 10.421 8.934 -11.060 1.00 0.00 C ATOM 793 OH TYR A 227 10.495 9.044 -12.427 1.00 0.00 O ATOM 0 H TYR A 227 8.654 10.430 -6.233 1.00 0.00 H new ATOM 0 HA TYR A 227 8.189 7.798 -7.000 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.577 9.501 -6.341 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.831 7.772 -6.474 1.00 0.00 H new ATOM 0 HD1 TYR A 227 8.226 8.183 -8.632 1.00 0.00 H new ATOM 0 HD2 TYR A 227 12.334 9.262 -8.313 1.00 0.00 H new ATOM 0 HE1 TYR A 227 8.358 8.386 -11.071 1.00 0.00 H new ATOM 0 HE2 TYR A 227 12.469 9.464 -10.757 1.00 0.00 H new ATOM 0 HH TYR A 227 11.404 9.304 -12.686 1.00 0.00 H new ATOM 803 N ILE A 228 8.596 6.216 -5.152 1.00 0.00 N ATOM 804 CA ILE A 228 8.637 5.274 -4.051 1.00 0.00 C ATOM 805 C ILE A 228 9.366 4.011 -4.467 1.00 0.00 C ATOM 806 O ILE A 228 9.011 3.395 -5.474 1.00 0.00 O ATOM 807 CB ILE A 228 7.212 4.875 -3.609 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.437 6.099 -3.119 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.253 3.804 -2.533 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.087 5.766 -2.530 1.00 0.00 C ATOM 0 H ILE A 228 8.345 5.798 -6.048 1.00 0.00 H new ATOM 0 HA ILE A 228 9.156 5.761 -3.226 1.00 0.00 H new ATOM 0 HB ILE A 228 6.695 4.463 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 228 7.033 6.619 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.300 6.789 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.236 3.543 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 228 7.758 2.919 -2.920 1.00 0.00 H new ATOM 0 HG23 ILE A 228 7.794 4.181 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.596 6.683 -2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.473 5.273 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 228 5.217 5.101 -1.676 1.00 0.00 H new ATOM 822 N PRO A 229 10.380 3.590 -3.698 1.00 0.00 N ATOM 823 CA PRO A 229 11.114 2.374 -4.003 1.00 0.00 C ATOM 824 C PRO A 229 10.235 1.153 -3.796 1.00 0.00 C ATOM 825 O PRO A 229 10.061 0.692 -2.667 1.00 0.00 O ATOM 826 CB PRO A 229 12.270 2.357 -3.004 1.00 0.00 C ATOM 827 CG PRO A 229 11.836 3.249 -1.887 1.00 0.00 C ATOM 828 CD PRO A 229 10.875 4.251 -2.478 1.00 0.00 C ATOM 0 HA PRO A 229 11.453 2.351 -5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.467 1.346 -2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 229 13.191 2.718 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 229 11.356 2.673 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 229 12.693 3.753 -1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 229 10.062 4.479 -1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 229 11.372 5.194 -2.708 1.00 0.00 H new ATOM 836 N SER A 230 9.672 0.647 -4.885 1.00 0.00 N ATOM 837 CA SER A 230 8.798 -0.523 -4.849 1.00 0.00 C ATOM 838 C SER A 230 9.448 -1.697 -4.111 1.00 0.00 C ATOM 839 O SER A 230 8.758 -2.623 -3.682 1.00 0.00 O ATOM 840 CB SER A 230 8.451 -0.940 -6.274 1.00 0.00 C ATOM 841 OG SER A 230 8.172 0.197 -7.069 1.00 0.00 O ATOM 0 H SER A 230 9.807 1.034 -5.819 1.00 0.00 H new ATOM 0 HA SER A 230 7.893 -0.251 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 230 9.280 -1.500 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 230 7.588 -1.605 -6.265 1.00 0.00 H new ATOM 0 HG SER A 230 7.234 0.175 -7.353 1.00 0.00 H new ATOM 847 N ASN A 231 10.768 -1.643 -3.941 1.00 0.00 N ATOM 848 CA ASN A 231 11.492 -2.686 -3.231 1.00 0.00 C ATOM 849 C ASN A 231 11.049 -2.744 -1.772 1.00 0.00 C ATOM 850 O ASN A 231 11.139 -3.782 -1.119 1.00 0.00 O ATOM 851 CB ASN A 231 12.999 -2.426 -3.310 1.00 0.00 C ATOM 852 CG ASN A 231 13.821 -3.534 -2.676 1.00 0.00 C ATOM 853 OD1 ASN A 231 13.745 -4.689 -3.093 1.00 0.00 O ATOM 854 ND2 ASN A 231 14.620 -3.190 -1.674 1.00 0.00 N ATOM 0 H ASN A 231 11.355 -0.885 -4.288 1.00 0.00 H new ATOM 0 HA ASN A 231 11.271 -3.644 -3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 231 13.290 -2.316 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 231 13.227 -1.482 -2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 231 15.201 -3.895 -1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 231 14.654 -2.221 -1.358 1.00 0.00 H new ATOM 861 N TYR A 232 10.577 -1.609 -1.267 1.00 0.00 N ATOM 862 CA TYR A 232 10.126 -1.499 0.115 1.00 0.00 C ATOM 863 C TYR A 232 8.609 -1.608 0.237 1.00 0.00 C ATOM 864 O TYR A 232 8.083 -1.584 1.343 1.00 0.00 O ATOM 865 CB TYR A 232 10.576 -0.159 0.710 1.00 0.00 C ATOM 866 CG TYR A 232 12.068 -0.036 0.930 1.00 0.00 C ATOM 867 CD1 TYR A 232 12.921 -1.113 0.730 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.622 1.171 1.340 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.279 -0.996 0.932 1.00 0.00 C ATOM 870 CE2 TYR A 232 13.982 1.297 1.543 1.00 0.00 C ATOM 871 CZ TYR A 232 14.805 0.212 1.336 1.00 0.00 C ATOM 872 OH TYR A 232 16.158 0.332 1.541 1.00 0.00 O ATOM 0 H TYR A 232 10.497 -0.744 -1.801 1.00 0.00 H new ATOM 0 HA TYR A 232 10.573 -2.329 0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 232 10.252 0.644 0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 232 10.068 -0.011 1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.513 -2.060 0.410 1.00 0.00 H new ATOM 0 HD2 TYR A 232 11.979 2.023 1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 232 14.927 -1.846 0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.398 2.241 1.862 1.00 0.00 H new ATOM 0 HH TYR A 232 16.366 1.247 1.822 1.00 0.00 H new ATOM 882 N VAL A 233 7.901 -1.711 -0.883 1.00 0.00 N ATOM 883 CA VAL A 233 6.444 -1.805 -0.830 1.00 0.00 C ATOM 884 C VAL A 233 5.940 -3.158 -1.319 1.00 0.00 C ATOM 885 O VAL A 233 6.685 -3.954 -1.890 1.00 0.00 O ATOM 886 CB VAL A 233 5.751 -0.684 -1.637 1.00 0.00 C ATOM 887 CG1 VAL A 233 6.204 0.676 -1.144 1.00 0.00 C ATOM 888 CG2 VAL A 233 6.006 -0.823 -3.127 1.00 0.00 C ATOM 0 H VAL A 233 8.301 -1.731 -1.821 1.00 0.00 H new ATOM 0 HA VAL A 233 6.183 -1.688 0.222 1.00 0.00 H new ATOM 0 HB VAL A 233 4.677 -0.778 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 233 5.708 1.456 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 233 5.947 0.785 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 233 7.284 0.766 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 233 5.502 -0.016 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 233 7.078 -0.771 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 233 5.622 -1.782 -3.474 1.00 0.00 H new ATOM 898 N THR A 234 4.660 -3.391 -1.087 1.00 0.00 N ATOM 899 CA THR A 234 3.985 -4.612 -1.487 1.00 0.00 C ATOM 900 C THR A 234 2.562 -4.260 -1.868 1.00 0.00 C ATOM 901 O THR A 234 2.051 -3.219 -1.460 1.00 0.00 O ATOM 902 CB THR A 234 3.997 -5.630 -0.334 1.00 0.00 C ATOM 903 OG1 THR A 234 3.492 -6.883 -0.762 1.00 0.00 O ATOM 904 CG2 THR A 234 3.179 -5.197 0.867 1.00 0.00 C ATOM 0 H THR A 234 4.052 -2.727 -0.608 1.00 0.00 H new ATOM 0 HA THR A 234 4.497 -5.064 -2.336 1.00 0.00 H new ATOM 0 HB THR A 234 5.042 -5.703 -0.034 1.00 0.00 H new ATOM 0 HG1 THR A 234 3.510 -7.516 -0.014 1.00 0.00 H new ATOM 0 HG21 THR A 234 3.234 -5.964 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 234 3.574 -4.259 1.257 1.00 0.00 H new ATOM 0 HG23 THR A 234 2.140 -5.057 0.568 1.00 0.00 H new ATOM 912 N GLY A 235 1.908 -5.125 -2.619 1.00 0.00 N ATOM 913 CA GLY A 235 0.536 -4.857 -2.965 1.00 0.00 C ATOM 914 C GLY A 235 -0.326 -5.200 -1.781 1.00 0.00 C ATOM 915 O GLY A 235 0.187 -5.362 -0.673 1.00 0.00 O ATOM 0 H GLY A 235 2.295 -5.993 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 235 0.410 -3.808 -3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 235 0.241 -5.447 -3.833 1.00 0.00 H new ATOM 919 N LYS A 236 -1.608 -5.358 -1.970 1.00 0.00 N ATOM 920 CA LYS A 236 -2.439 -5.726 -0.848 1.00 0.00 C ATOM 921 C LYS A 236 -2.397 -7.245 -0.682 1.00 0.00 C ATOM 922 O LYS A 236 -3.424 -7.904 -0.519 1.00 0.00 O ATOM 923 CB LYS A 236 -3.862 -5.200 -1.031 1.00 0.00 C ATOM 924 CG LYS A 236 -4.724 -5.297 0.221 1.00 0.00 C ATOM 925 CD LYS A 236 -6.183 -4.995 -0.073 1.00 0.00 C ATOM 926 CE LYS A 236 -6.367 -3.615 -0.690 1.00 0.00 C ATOM 927 NZ LYS A 236 -7.801 -3.290 -0.926 1.00 0.00 N ATOM 0 H LYS A 236 -2.092 -5.243 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 236 -2.059 -5.269 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.815 -4.158 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -4.343 -5.756 -1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -4.638 -6.298 0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -4.353 -4.600 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -6.580 -5.751 -0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -6.760 -5.059 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -5.930 -2.864 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -5.825 -3.566 -1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -7.877 -2.342 -1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -8.214 -3.991 -1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -8.315 -3.310 -0.022 1.00 0.00 H new