USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 341 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 209 CYS SG : rot 48:sc= -2.58! USER MOD Set 1.2: A 220 CYS SG : rot 130:sc= 0.284 USER MOD Set 1.3: A 226 CYS SG : rot -166:sc= -7! USER MOD Set 1.4: A 229 HIS :FLIP no HD1:sc= -10.8! C(o=-26!,f=-21!) USER MOD Set 1.5: A 230 THR OG1 : rot -78:sc= -0.0545 USER MOD Set 1.6: A 233 GLN :FLIP amide:sc= -1.03! C(o=-23!,f=-21!) USER MOD Single : A 203 SER OG : rot 67:sc= 0.732 USER MOD Single : A 206 THR OG1 : rot 103:sc= 0.0271 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 GLN : amide:sc= -0.729! X(o=-0.73!,f=-0.24) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl 172:sc= -0.41 (180deg=-0.518) USER MOD Single : A 221 THR OG1 : rot 180:sc= 0.00982 USER MOD Single : A 223 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 228 GLN :FLIP amide:sc=-0.00618 F(o=-1,f=-0.0062) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 50.867 -0.999 14.034 1.00 0.00 N ATOM 2 CA PRO A 198 50.907 -0.327 12.724 1.00 0.00 C ATOM 3 C PRO A 198 51.739 0.957 12.701 1.00 0.00 C ATOM 4 O PRO A 198 52.424 1.233 11.722 1.00 0.00 O ATOM 5 CB PRO A 198 49.430 -0.003 12.429 1.00 0.00 C ATOM 6 CG PRO A 198 48.726 -0.175 13.728 1.00 0.00 C ATOM 7 CD PRO A 198 49.479 -1.238 14.464 1.00 0.00 C ATOM 0 HA PRO A 198 51.386 -0.969 11.985 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.318 1.013 12.052 1.00 0.00 H new ATOM 0 HB3 PRO A 198 49.024 -0.672 11.670 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.714 0.757 14.292 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.687 -0.467 13.574 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.366 -1.142 15.544 1.00 0.00 H new ATOM 0 HD3 PRO A 198 49.137 -2.238 14.196 1.00 0.00 H new ATOM 15 N GLU A 199 51.720 1.704 13.783 1.00 0.00 N ATOM 16 CA GLU A 199 52.404 2.978 13.825 1.00 0.00 C ATOM 17 C GLU A 199 53.917 2.829 13.883 1.00 0.00 C ATOM 18 O GLU A 199 54.630 3.440 13.094 1.00 0.00 O ATOM 19 CB GLU A 199 51.863 3.850 14.937 1.00 0.00 C ATOM 20 CG GLU A 199 50.399 4.187 14.736 1.00 0.00 C ATOM 21 CD GLU A 199 49.847 5.097 15.786 1.00 0.00 C ATOM 22 OE1 GLU A 199 49.906 6.338 15.604 1.00 0.00 O ATOM 23 OE2 GLU A 199 49.319 4.601 16.801 1.00 0.00 O ATOM 0 H GLU A 199 51.238 1.451 14.646 1.00 0.00 H new ATOM 0 HA GLU A 199 52.196 3.487 12.884 1.00 0.00 H new ATOM 0 HB2 GLU A 199 51.989 3.339 15.892 1.00 0.00 H new ATOM 0 HB3 GLU A 199 52.443 4.771 14.989 1.00 0.00 H new ATOM 0 HG2 GLU A 199 50.273 4.654 13.759 1.00 0.00 H new ATOM 0 HG3 GLU A 199 49.820 3.264 14.726 1.00 0.00 H new ATOM 30 N GLU A 200 54.416 1.993 14.773 1.00 0.00 N ATOM 31 CA GLU A 200 55.807 1.754 14.869 1.00 0.00 C ATOM 32 C GLU A 200 56.303 0.938 13.721 1.00 0.00 C ATOM 33 O GLU A 200 57.479 0.965 13.385 1.00 0.00 O ATOM 34 CB GLU A 200 56.156 1.124 16.170 1.00 0.00 C ATOM 35 CG GLU A 200 55.286 -0.033 16.641 1.00 0.00 C ATOM 36 CD GLU A 200 54.120 0.425 17.480 1.00 0.00 C ATOM 37 OE1 GLU A 200 53.210 1.076 16.953 1.00 0.00 O ATOM 38 OE2 GLU A 200 54.098 0.136 18.683 1.00 0.00 O ATOM 0 H GLU A 200 53.851 1.469 15.442 1.00 0.00 H new ATOM 0 HA GLU A 200 56.309 2.720 14.823 1.00 0.00 H new ATOM 0 HB2 GLU A 200 57.185 0.769 16.108 1.00 0.00 H new ATOM 0 HB3 GLU A 200 56.132 1.898 16.937 1.00 0.00 H new ATOM 0 HG2 GLU A 200 54.913 -0.579 15.774 1.00 0.00 H new ATOM 0 HG3 GLU A 200 55.894 -0.729 17.219 1.00 0.00 H new ATOM 45 N LEU A 201 55.417 0.201 13.153 1.00 0.00 N ATOM 46 CA LEU A 201 55.687 -0.514 11.937 1.00 0.00 C ATOM 47 C LEU A 201 55.933 0.459 10.790 1.00 0.00 C ATOM 48 O LEU A 201 56.861 0.307 10.004 1.00 0.00 O ATOM 49 CB LEU A 201 54.541 -1.456 11.621 1.00 0.00 C ATOM 50 CG LEU A 201 54.454 -1.884 10.190 1.00 0.00 C ATOM 51 CD1 LEU A 201 54.056 -3.299 10.104 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.440 -1.050 9.458 1.00 0.00 C ATOM 0 H LEU A 201 54.472 0.070 13.515 1.00 0.00 H new ATOM 0 HA LEU A 201 56.591 -1.109 12.069 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.637 -2.344 12.246 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.605 -0.971 11.898 1.00 0.00 H new ATOM 0 HG LEU A 201 55.436 -1.751 9.735 1.00 0.00 H new ATOM 0 HD11 LEU A 201 53.997 -3.597 9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.794 -3.916 10.616 1.00 0.00 H new ATOM 0 HD13 LEU A 201 53.082 -3.432 10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.387 -1.372 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.463 -1.171 9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.734 -0.001 9.499 1.00 0.00 H new ATOM 64 N ARG A 202 55.080 1.429 10.699 1.00 0.00 N ATOM 65 CA ARG A 202 55.170 2.461 9.750 1.00 0.00 C ATOM 66 C ARG A 202 56.448 3.265 9.990 1.00 0.00 C ATOM 67 O ARG A 202 57.064 3.762 9.054 1.00 0.00 O ATOM 68 CB ARG A 202 53.915 3.297 9.874 1.00 0.00 C ATOM 69 CG ARG A 202 53.838 4.404 8.919 1.00 0.00 C ATOM 70 CD ARG A 202 52.461 5.032 8.920 1.00 0.00 C ATOM 71 NE ARG A 202 52.297 6.016 7.847 1.00 0.00 N ATOM 72 CZ ARG A 202 51.113 6.437 7.371 1.00 0.00 C ATOM 73 NH1 ARG A 202 49.970 6.015 7.934 1.00 0.00 N ATOM 74 NH2 ARG A 202 51.074 7.292 6.351 1.00 0.00 N ATOM 0 H ARG A 202 54.272 1.515 11.316 1.00 0.00 H new ATOM 0 HA ARG A 202 55.234 2.078 8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.047 2.652 9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 202 53.857 3.699 10.885 1.00 0.00 H new ATOM 0 HG2 ARG A 202 54.584 5.157 9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 202 54.075 4.042 7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 202 51.708 4.251 8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 202 52.285 5.514 9.882 1.00 0.00 H new ATOM 0 HE ARG A 202 53.142 6.409 7.432 1.00 0.00 H new ATOM 0 HH11 ARG A 202 49.998 5.373 8.726 1.00 0.00 H new ATOM 0 HH12 ARG A 202 49.073 6.337 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 202 51.942 7.626 5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 202 50.176 7.613 5.988 1.00 0.00 H new ATOM 88 N SER A 203 56.861 3.330 11.251 1.00 0.00 N ATOM 89 CA SER A 203 58.126 3.952 11.627 1.00 0.00 C ATOM 90 C SER A 203 59.321 3.038 11.251 1.00 0.00 C ATOM 91 O SER A 203 60.444 3.504 11.045 1.00 0.00 O ATOM 92 CB SER A 203 58.146 4.195 13.126 1.00 0.00 C ATOM 93 OG SER A 203 57.047 4.996 13.544 1.00 0.00 O ATOM 0 H SER A 203 56.332 2.955 12.038 1.00 0.00 H new ATOM 0 HA SER A 203 58.218 4.896 11.090 1.00 0.00 H new ATOM 0 HB2 SER A 203 58.120 3.240 13.650 1.00 0.00 H new ATOM 0 HB3 SER A 203 59.079 4.685 13.403 1.00 0.00 H new ATOM 0 HG SER A 203 56.213 4.497 13.420 1.00 0.00 H new ATOM 99 N LEU A 204 59.061 1.736 11.196 1.00 0.00 N ATOM 100 CA LEU A 204 60.059 0.740 10.866 1.00 0.00 C ATOM 101 C LEU A 204 60.497 0.927 9.433 1.00 0.00 C ATOM 102 O LEU A 204 61.672 1.165 9.164 1.00 0.00 O ATOM 103 CB LEU A 204 59.476 -0.686 11.093 1.00 0.00 C ATOM 104 CG LEU A 204 60.421 -1.886 10.868 1.00 0.00 C ATOM 105 CD1 LEU A 204 60.027 -3.028 11.752 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.357 -2.368 9.423 1.00 0.00 C ATOM 0 H LEU A 204 58.138 1.344 11.383 1.00 0.00 H new ATOM 0 HA LEU A 204 60.929 0.857 11.513 1.00 0.00 H new ATOM 0 HB2 LEU A 204 59.104 -0.738 12.116 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.616 -0.807 10.434 1.00 0.00 H new ATOM 0 HG LEU A 204 61.432 -1.553 11.101 1.00 0.00 H new ATOM 0 HD11 LEU A 204 60.701 -3.868 11.584 1.00 0.00 H new ATOM 0 HD12 LEU A 204 60.087 -2.718 12.795 1.00 0.00 H new ATOM 0 HD13 LEU A 204 59.006 -3.331 11.522 1.00 0.00 H new ATOM 0 HD21 LEU A 204 61.032 -3.214 9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.338 -2.676 9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.655 -1.559 8.756 1.00 0.00 H new ATOM 118 N LEU A 205 59.520 0.899 8.537 1.00 0.00 N ATOM 119 CA LEU A 205 59.726 0.991 7.083 1.00 0.00 C ATOM 120 C LEU A 205 60.522 2.222 6.624 1.00 0.00 C ATOM 121 O LEU A 205 60.974 2.269 5.481 1.00 0.00 O ATOM 122 CB LEU A 205 58.385 0.897 6.326 1.00 0.00 C ATOM 123 CG LEU A 205 57.860 -0.512 5.961 1.00 0.00 C ATOM 124 CD1 LEU A 205 58.828 -1.235 5.045 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.598 -1.343 7.177 1.00 0.00 C ATOM 0 H LEU A 205 58.538 0.810 8.798 1.00 0.00 H new ATOM 0 HA LEU A 205 60.348 0.132 6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.624 1.392 6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.481 1.468 5.403 1.00 0.00 H new ATOM 0 HG LEU A 205 56.915 -0.369 5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.433 -2.222 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 205 58.956 -0.662 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.791 -1.341 5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.231 -2.324 6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.522 -1.460 7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.850 -0.852 7.799 1.00 0.00 H new ATOM 137 N THR A 206 60.673 3.197 7.491 1.00 0.00 N ATOM 138 CA THR A 206 61.430 4.373 7.221 1.00 0.00 C ATOM 139 C THR A 206 62.920 4.032 6.969 1.00 0.00 C ATOM 140 O THR A 206 63.546 4.585 6.077 1.00 0.00 O ATOM 141 CB THR A 206 61.305 5.305 8.425 1.00 0.00 C ATOM 142 OG1 THR A 206 59.908 5.501 8.708 1.00 0.00 O ATOM 143 CG2 THR A 206 61.955 6.636 8.151 1.00 0.00 C ATOM 0 H THR A 206 60.258 3.183 8.423 1.00 0.00 H new ATOM 0 HA THR A 206 61.045 4.854 6.322 1.00 0.00 H new ATOM 0 HB THR A 206 61.810 4.853 9.279 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.653 4.963 9.487 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.851 7.279 9.025 1.00 0.00 H new ATOM 0 HG22 THR A 206 63.013 6.487 7.935 1.00 0.00 H new ATOM 0 HG23 THR A 206 61.473 7.107 7.295 1.00 0.00 H new ATOM 151 N THR A 207 63.453 3.098 7.722 1.00 0.00 N ATOM 152 CA THR A 207 64.868 2.769 7.608 1.00 0.00 C ATOM 153 C THR A 207 65.117 1.245 7.722 1.00 0.00 C ATOM 154 O THR A 207 66.151 0.728 7.281 1.00 0.00 O ATOM 155 CB THR A 207 65.685 3.575 8.671 1.00 0.00 C ATOM 156 OG1 THR A 207 67.105 3.339 8.567 1.00 0.00 O ATOM 157 CG2 THR A 207 65.208 3.272 10.085 1.00 0.00 C ATOM 0 H THR A 207 62.940 2.553 8.416 1.00 0.00 H new ATOM 0 HA THR A 207 65.212 3.059 6.615 1.00 0.00 H new ATOM 0 HB THR A 207 65.507 4.629 8.458 1.00 0.00 H new ATOM 0 HG1 THR A 207 67.575 3.864 9.249 1.00 0.00 H new ATOM 0 HG21 THR A 207 65.797 3.848 10.799 1.00 0.00 H new ATOM 0 HG22 THR A 207 64.156 3.542 10.180 1.00 0.00 H new ATOM 0 HG23 THR A 207 65.329 2.208 10.290 1.00 0.00 H new ATOM 165 N GLN A 208 64.162 0.548 8.272 1.00 0.00 N ATOM 166 CA GLN A 208 64.221 -0.867 8.446 1.00 0.00 C ATOM 167 C GLN A 208 63.544 -1.523 7.250 1.00 0.00 C ATOM 168 O GLN A 208 62.440 -1.151 6.882 1.00 0.00 O ATOM 169 CB GLN A 208 63.540 -1.218 9.770 1.00 0.00 C ATOM 170 CG GLN A 208 64.364 -0.847 11.004 1.00 0.00 C ATOM 171 CD GLN A 208 65.347 -1.931 11.399 1.00 0.00 C ATOM 172 OE1 GLN A 208 66.453 -1.662 11.872 1.00 0.00 O ATOM 173 NE2 GLN A 208 64.916 -3.156 11.319 1.00 0.00 N ATOM 0 H GLN A 208 63.299 0.966 8.620 1.00 0.00 H new ATOM 0 HA GLN A 208 65.247 -1.232 8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.578 -0.708 9.820 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.334 -2.288 9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 208 64.908 0.077 10.808 1.00 0.00 H new ATOM 0 HG3 GLN A 208 63.692 -0.650 11.839 1.00 0.00 H new ATOM 0 HE21 GLN A 208 63.996 -3.348 10.923 1.00 0.00 H new ATOM 0 HE22 GLN A 208 65.498 -3.924 11.653 1.00 0.00 H new ATOM 182 N CYS A 209 64.263 -2.472 6.664 1.00 0.00 N ATOM 183 CA CYS A 209 63.939 -3.209 5.430 1.00 0.00 C ATOM 184 C CYS A 209 62.457 -3.500 5.306 1.00 0.00 C ATOM 185 O CYS A 209 61.816 -3.034 4.384 1.00 0.00 O ATOM 186 CB CYS A 209 64.774 -4.504 5.400 1.00 0.00 C ATOM 187 SG CYS A 209 65.354 -5.054 3.756 1.00 0.00 S ATOM 0 H CYS A 209 65.153 -2.775 7.060 1.00 0.00 H new ATOM 0 HA CYS A 209 64.191 -2.588 4.571 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.644 -4.365 6.041 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.179 -5.305 5.839 1.00 0.00 H new ATOM 0 HG CYS A 209 65.880 -4.048 3.122 1.00 0.00 H new ATOM 192 N GLY A 210 61.960 -4.355 6.167 1.00 0.00 N ATOM 193 CA GLY A 210 60.555 -4.571 6.297 1.00 0.00 C ATOM 194 C GLY A 210 60.008 -5.485 5.261 1.00 0.00 C ATOM 195 O GLY A 210 58.886 -5.917 5.353 1.00 0.00 O ATOM 0 H GLY A 210 62.530 -4.920 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.347 -4.984 7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 210 60.039 -3.613 6.237 1.00 0.00 H new ATOM 199 N VAL A 211 60.843 -5.857 4.333 1.00 0.00 N ATOM 200 CA VAL A 211 60.444 -6.634 3.224 1.00 0.00 C ATOM 201 C VAL A 211 60.112 -8.041 3.610 1.00 0.00 C ATOM 202 O VAL A 211 60.955 -8.774 4.126 1.00 0.00 O ATOM 203 CB VAL A 211 61.501 -6.547 2.157 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.835 -6.788 2.688 1.00 0.00 C ATOM 205 CG2 VAL A 211 61.206 -7.340 0.902 1.00 0.00 C ATOM 0 H VAL A 211 61.835 -5.618 4.338 1.00 0.00 H new ATOM 0 HA VAL A 211 59.516 -6.230 2.818 1.00 0.00 H new ATOM 0 HB VAL A 211 61.475 -5.511 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.566 -6.715 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 211 63.062 -6.045 3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.877 -7.785 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 211 62.024 -7.215 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 211 61.102 -8.395 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 211 60.279 -6.981 0.454 1.00 0.00 H new ATOM 215 N ILE A 212 58.885 -8.369 3.420 1.00 0.00 N ATOM 216 CA ILE A 212 58.363 -9.631 3.779 1.00 0.00 C ATOM 217 C ILE A 212 58.964 -10.713 2.915 1.00 0.00 C ATOM 218 O ILE A 212 58.902 -10.657 1.688 1.00 0.00 O ATOM 219 CB ILE A 212 56.823 -9.633 3.689 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.254 -8.539 4.609 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.285 -10.998 4.083 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.781 -8.258 4.417 1.00 0.00 C ATOM 0 H ILE A 212 58.198 -7.745 2.997 1.00 0.00 H new ATOM 0 HA ILE A 212 58.633 -9.837 4.815 1.00 0.00 H new ATOM 0 HB ILE A 212 56.516 -9.425 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.423 -8.831 5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.811 -7.617 4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.197 -10.993 4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.686 -11.755 3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.586 -11.226 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.467 -7.474 5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.603 -7.932 3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.209 -9.165 4.614 1.00 0.00 H new ATOM 313 N LYS A 218 57.853 -13.263 7.375 1.00 0.00 N ATOM 314 CA LYS A 218 57.333 -11.903 7.556 1.00 0.00 C ATOM 315 C LYS A 218 58.386 -10.854 7.180 1.00 0.00 C ATOM 316 O LYS A 218 59.315 -11.147 6.422 1.00 0.00 O ATOM 317 CB LYS A 218 56.729 -11.646 8.971 1.00 0.00 C ATOM 318 CG LYS A 218 55.469 -12.432 9.261 1.00 0.00 C ATOM 319 CD LYS A 218 54.871 -12.041 10.597 1.00 0.00 C ATOM 320 CE LYS A 218 53.568 -12.776 10.842 1.00 0.00 C ATOM 321 NZ LYS A 218 52.943 -12.392 12.125 1.00 0.00 N ATOM 0 HA LYS A 218 56.495 -11.803 6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 218 57.478 -11.892 9.723 1.00 0.00 H new ATOM 0 HB3 LYS A 218 56.512 -10.583 9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 218 54.740 -12.259 8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 218 55.695 -13.498 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 218 55.577 -12.267 11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 218 54.697 -10.965 10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 218 52.876 -12.567 10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 218 53.752 -13.850 10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 52.055 -12.919 12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 53.591 -12.615 12.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 52.742 -11.372 12.122 1.00 0.00 H new ATOM 335 N MET A 219 58.188 -9.650 7.669 1.00 0.00 N ATOM 336 CA MET A 219 58.999 -8.458 7.389 1.00 0.00 C ATOM 337 C MET A 219 60.485 -8.662 7.665 1.00 0.00 C ATOM 338 O MET A 219 60.869 -9.336 8.621 1.00 0.00 O ATOM 339 CB MET A 219 58.484 -7.335 8.269 1.00 0.00 C ATOM 340 CG MET A 219 57.064 -7.001 8.043 1.00 0.00 C ATOM 341 SD MET A 219 56.396 -6.022 9.394 1.00 0.00 S ATOM 342 CE MET A 219 57.269 -4.499 9.142 1.00 0.00 C ATOM 0 H MET A 219 57.418 -9.452 8.309 1.00 0.00 H new ATOM 0 HA MET A 219 58.907 -8.229 6.327 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.620 -7.614 9.314 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.088 -6.445 8.096 1.00 0.00 H new ATOM 0 HG2 MET A 219 56.963 -6.450 7.108 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.486 -7.919 7.936 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.868 -3.735 9.808 1.00 0.00 H new ATOM 0 HE2 MET A 219 58.328 -4.647 9.355 1.00 0.00 H new ATOM 0 HE3 MET A 219 57.148 -4.177 8.108 1.00 0.00 H new ATOM 352 N CYS A 220 61.320 -8.090 6.818 1.00 0.00 N ATOM 353 CA CYS A 220 62.760 -8.174 7.008 1.00 0.00 C ATOM 354 C CYS A 220 63.217 -7.158 8.055 1.00 0.00 C ATOM 355 O CYS A 220 62.758 -6.039 8.050 1.00 0.00 O ATOM 356 CB CYS A 220 63.464 -7.921 5.711 1.00 0.00 C ATOM 357 SG CYS A 220 65.231 -8.089 5.808 1.00 0.00 S ATOM 0 H CYS A 220 61.030 -7.564 5.994 1.00 0.00 H new ATOM 0 HA CYS A 220 63.008 -9.176 7.359 1.00 0.00 H new ATOM 0 HB2 CYS A 220 63.083 -8.614 4.961 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.222 -6.915 5.368 1.00 0.00 H new ATOM 0 HG CYS A 220 65.647 -8.863 4.850 1.00 0.00 H new ATOM 362 N THR A 221 64.171 -7.507 8.873 1.00 0.00 N ATOM 363 CA THR A 221 64.515 -6.676 10.009 1.00 0.00 C ATOM 364 C THR A 221 65.880 -5.995 9.907 1.00 0.00 C ATOM 365 O THR A 221 66.356 -5.399 10.858 1.00 0.00 O ATOM 366 CB THR A 221 64.373 -7.497 11.275 1.00 0.00 C ATOM 367 OG1 THR A 221 64.836 -8.831 10.996 1.00 0.00 O ATOM 368 CG2 THR A 221 62.916 -7.545 11.687 1.00 0.00 C ATOM 0 H THR A 221 64.727 -8.357 8.781 1.00 0.00 H new ATOM 0 HA THR A 221 63.815 -5.841 10.028 1.00 0.00 H new ATOM 0 HB THR A 221 64.955 -7.053 12.082 1.00 0.00 H new ATOM 0 HG1 THR A 221 64.755 -9.381 11.803 1.00 0.00 H new ATOM 0 HG21 THR A 221 62.815 -8.136 12.597 1.00 0.00 H new ATOM 0 HG22 THR A 221 62.556 -6.532 11.869 1.00 0.00 H new ATOM 0 HG23 THR A 221 62.328 -8.002 10.891 1.00 0.00 H new ATOM 376 N ARG A 222 66.523 -6.122 8.775 1.00 0.00 N ATOM 377 CA ARG A 222 67.732 -5.391 8.508 1.00 0.00 C ATOM 378 C ARG A 222 67.368 -4.019 7.944 1.00 0.00 C ATOM 379 O ARG A 222 66.215 -3.644 7.976 1.00 0.00 O ATOM 380 CB ARG A 222 68.552 -6.167 7.506 1.00 0.00 C ATOM 381 CG ARG A 222 69.232 -7.472 7.992 1.00 0.00 C ATOM 382 CD ARG A 222 68.409 -8.409 8.865 1.00 0.00 C ATOM 383 NE ARG A 222 68.399 -7.969 10.271 1.00 0.00 N ATOM 384 CZ ARG A 222 67.973 -8.689 11.315 1.00 0.00 C ATOM 385 NH1 ARG A 222 67.635 -9.968 11.167 1.00 0.00 N ATOM 386 NH2 ARG A 222 67.916 -8.129 12.516 1.00 0.00 N ATOM 0 H ARG A 222 66.224 -6.733 8.015 1.00 0.00 H new ATOM 0 HA ARG A 222 68.310 -5.257 9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 222 67.905 -6.418 6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.329 -5.505 7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 222 69.557 -8.029 7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 222 70.130 -7.198 8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 222 67.387 -8.453 8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 222 68.816 -9.418 8.802 1.00 0.00 H new ATOM 0 HE ARG A 222 68.748 -7.031 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 222 67.699 -10.410 10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 222 67.312 -10.506 11.971 1.00 0.00 H new ATOM 0 HH21 ARG A 222 68.196 -7.156 12.639 1.00 0.00 H new ATOM 0 HH22 ARG A 222 67.592 -8.671 13.317 1.00 0.00 H new ATOM 400 N SER A 223 68.324 -3.309 7.419 1.00 0.00 N ATOM 401 CA SER A 223 68.096 -1.996 6.796 1.00 0.00 C ATOM 402 C SER A 223 67.402 -2.178 5.424 1.00 0.00 C ATOM 403 O SER A 223 67.347 -3.283 4.935 1.00 0.00 O ATOM 404 CB SER A 223 69.447 -1.335 6.628 1.00 0.00 C ATOM 405 OG SER A 223 70.323 -2.182 5.881 1.00 0.00 O ATOM 0 H SER A 223 69.299 -3.609 7.401 1.00 0.00 H new ATOM 0 HA SER A 223 67.448 -1.376 7.416 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.331 -0.379 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 223 69.880 -1.124 7.606 1.00 0.00 H new ATOM 0 HG SER A 223 71.193 -1.743 5.777 1.00 0.00 H new ATOM 411 N LEU A 224 66.852 -1.122 4.837 1.00 0.00 N ATOM 412 CA LEU A 224 66.182 -1.176 3.496 1.00 0.00 C ATOM 413 C LEU A 224 67.063 -1.869 2.463 1.00 0.00 C ATOM 414 O LEU A 224 66.690 -2.923 1.915 1.00 0.00 O ATOM 415 CB LEU A 224 65.921 0.246 3.045 1.00 0.00 C ATOM 416 CG LEU A 224 65.120 1.110 4.019 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.958 2.478 3.466 1.00 0.00 C ATOM 418 CD2 LEU A 224 63.755 0.506 4.296 1.00 0.00 C ATOM 0 H LEU A 224 66.846 -0.193 5.258 1.00 0.00 H new ATOM 0 HA LEU A 224 65.255 -1.742 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 224 66.879 0.731 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 224 65.390 0.215 2.093 1.00 0.00 H new ATOM 0 HG LEU A 224 65.670 1.157 4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.386 3.088 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.939 2.927 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 224 64.429 2.425 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 224 63.210 1.143 4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 224 63.197 0.426 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 224 63.878 -0.486 4.732 1.00 0.00 H new ATOM 430 N ARG A 225 68.257 -1.362 2.296 1.00 0.00 N ATOM 431 CA ARG A 225 69.191 -1.818 1.299 1.00 0.00 C ATOM 432 C ARG A 225 70.056 -2.958 1.868 1.00 0.00 C ATOM 433 O ARG A 225 71.213 -3.144 1.499 1.00 0.00 O ATOM 434 CB ARG A 225 70.042 -0.632 0.885 1.00 0.00 C ATOM 435 CG ARG A 225 70.695 -0.847 -0.441 1.00 0.00 C ATOM 436 CD ARG A 225 71.371 0.390 -0.958 1.00 0.00 C ATOM 437 NE ARG A 225 72.469 0.856 -0.086 1.00 0.00 N ATOM 438 CZ ARG A 225 73.420 1.747 -0.428 1.00 0.00 C ATOM 439 NH1 ARG A 225 73.446 2.286 -1.646 1.00 0.00 N ATOM 440 NH2 ARG A 225 74.339 2.097 0.462 1.00 0.00 N ATOM 0 H ARG A 225 68.617 -0.597 2.867 1.00 0.00 H new ATOM 0 HA ARG A 225 68.668 -2.213 0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 225 69.421 0.263 0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 225 70.807 -0.453 1.641 1.00 0.00 H new ATOM 0 HG2 ARG A 225 71.428 -1.649 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 225 69.946 -1.176 -1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 225 71.765 0.192 -1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 225 70.633 1.185 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 225 72.511 0.469 0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 225 72.740 2.025 -2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 225 74.172 2.959 -1.890 1.00 0.00 H new ATOM 0 HH21 ARG A 225 74.323 1.692 1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 225 75.062 2.771 0.210 1.00 0.00 H new ATOM 454 N CYS A 226 69.460 -3.716 2.767 1.00 0.00 N ATOM 455 CA CYS A 226 70.076 -4.858 3.410 1.00 0.00 C ATOM 456 C CYS A 226 70.767 -5.888 2.432 1.00 0.00 C ATOM 457 O CYS A 226 71.967 -6.124 2.544 1.00 0.00 O ATOM 458 CB CYS A 226 68.989 -5.444 4.301 1.00 0.00 C ATOM 459 SG CYS A 226 68.543 -7.155 4.198 1.00 0.00 S ATOM 0 H CYS A 226 68.504 -3.548 3.079 1.00 0.00 H new ATOM 0 HA CYS A 226 70.941 -4.552 3.999 1.00 0.00 H new ATOM 0 HB2 CYS A 226 69.286 -5.254 5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 226 68.082 -4.867 4.119 1.00 0.00 H new ATOM 0 HG CYS A 226 67.419 -7.349 4.821 1.00 0.00 H new ATOM 464 N PRO A 227 70.040 -6.489 1.473 1.00 0.00 N ATOM 465 CA PRO A 227 70.549 -7.513 0.569 1.00 0.00 C ATOM 466 C PRO A 227 70.445 -7.023 -0.918 1.00 0.00 C ATOM 467 O PRO A 227 71.242 -6.218 -1.369 1.00 0.00 O ATOM 468 CB PRO A 227 69.481 -8.591 0.858 1.00 0.00 C ATOM 469 CG PRO A 227 68.269 -7.761 1.213 1.00 0.00 C ATOM 470 CD PRO A 227 68.676 -6.319 1.192 1.00 0.00 C ATOM 0 HA PRO A 227 71.589 -7.811 0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.299 -9.225 -0.010 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.778 -9.247 1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.462 -7.940 0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.893 -8.037 2.198 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.498 -5.842 0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 227 68.160 -5.722 1.943 1.00 0.00 H new ATOM 478 N GLN A 228 69.411 -7.488 -1.625 1.00 0.00 N ATOM 479 CA GLN A 228 69.071 -7.028 -2.932 1.00 0.00 C ATOM 480 C GLN A 228 67.585 -6.651 -2.850 1.00 0.00 C ATOM 481 O GLN A 228 66.887 -6.525 -3.839 1.00 0.00 O ATOM 482 CB GLN A 228 69.306 -8.135 -3.968 1.00 0.00 C ATOM 483 CG GLN A 228 69.153 -7.682 -5.418 1.00 0.00 C ATOM 484 CD GLN A 228 69.293 -8.805 -6.419 1.00 0.00 C ATOM 485 OE1 GLN A 228 68.879 -9.988 -6.056 1.00 0.00 O flip ATOM 486 NE2 GLN A 228 69.749 -8.595 -7.534 1.00 0.00 N flip ATOM 0 H GLN A 228 68.784 -8.213 -1.276 1.00 0.00 H new ATOM 0 HA GLN A 228 69.682 -6.181 -3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 228 70.309 -8.539 -3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.606 -8.949 -3.778 1.00 0.00 H new ATOM 0 HG2 GLN A 228 68.176 -7.214 -5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 228 69.901 -6.919 -5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 228 70.064 -7.659 -7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 228 69.814 -9.356 -8.210 1.00 0.00 H new ATOM 495 N HIS A 229 67.102 -6.545 -1.601 1.00 0.00 N ATOM 496 CA HIS A 229 65.787 -6.081 -1.313 1.00 0.00 C ATOM 497 C HIS A 229 65.691 -4.628 -1.739 1.00 0.00 C ATOM 498 O HIS A 229 66.186 -3.725 -1.073 1.00 0.00 O ATOM 499 CB HIS A 229 65.385 -6.241 0.170 1.00 0.00 C ATOM 500 CG HIS A 229 65.150 -7.694 0.693 1.00 0.00 C ATOM 501 ND1 HIS A 229 64.435 -8.651 0.087 1.00 0.00 N flip ATOM 502 CD2 HIS A 229 65.403 -8.160 2.075 1.00 0.00 C flip ATOM 503 CE1 HIS A 229 64.200 -9.635 1.003 1.00 0.00 C flip ATOM 504 NE2 HIS A 229 64.774 -9.268 2.151 1.00 0.00 N flip ATOM 0 H HIS A 229 67.642 -6.789 -0.771 1.00 0.00 H new ATOM 0 HA HIS A 229 65.084 -6.700 -1.871 1.00 0.00 H new ATOM 0 HB2 HIS A 229 66.162 -5.783 0.782 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.471 -5.670 0.336 1.00 0.00 H new ATOM 0 HD2 HIS A 229 65.986 -7.674 2.843 1.00 0.00 H new ATOM 0 HE1 HIS A 229 63.648 -10.547 0.830 1.00 0.00 H new ATOM 0 HE2 HIS A 229 64.716 -9.820 3.007 1.00 0.00 H new ATOM 512 N THR A 230 65.069 -4.468 -2.839 1.00 0.00 N ATOM 513 CA THR A 230 64.946 -3.228 -3.586 1.00 0.00 C ATOM 514 C THR A 230 63.875 -2.320 -3.012 1.00 0.00 C ATOM 515 O THR A 230 63.151 -2.705 -2.087 1.00 0.00 O ATOM 516 CB THR A 230 64.577 -3.552 -5.055 1.00 0.00 C ATOM 517 OG1 THR A 230 63.356 -4.316 -5.080 1.00 0.00 O ATOM 518 CG2 THR A 230 65.654 -4.374 -5.714 1.00 0.00 C ATOM 0 H THR A 230 64.588 -5.242 -3.297 1.00 0.00 H new ATOM 0 HA THR A 230 65.904 -2.711 -3.524 1.00 0.00 H new ATOM 0 HB THR A 230 64.462 -2.610 -5.591 1.00 0.00 H new ATOM 0 HG1 THR A 230 63.548 -5.247 -4.841 1.00 0.00 H new ATOM 0 HG21 THR A 230 65.370 -4.587 -6.744 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.592 -3.819 -5.704 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.780 -5.311 -5.171 1.00 0.00 H new ATOM 526 N ASP A 231 63.750 -1.134 -3.590 1.00 0.00 N ATOM 527 CA ASP A 231 62.753 -0.156 -3.176 1.00 0.00 C ATOM 528 C ASP A 231 61.355 -0.708 -3.369 1.00 0.00 C ATOM 529 O ASP A 231 60.484 -0.433 -2.575 1.00 0.00 O ATOM 530 CB ASP A 231 62.891 1.192 -3.927 1.00 0.00 C ATOM 531 CG ASP A 231 62.446 1.175 -5.387 1.00 0.00 C ATOM 532 OD1 ASP A 231 63.225 0.731 -6.263 1.00 0.00 O ATOM 533 OD2 ASP A 231 61.310 1.623 -5.679 1.00 0.00 O ATOM 0 H ASP A 231 64.339 -0.821 -4.362 1.00 0.00 H new ATOM 0 HA ASP A 231 62.929 0.039 -2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 231 62.310 1.946 -3.396 1.00 0.00 H new ATOM 0 HB3 ASP A 231 63.934 1.507 -3.886 1.00 0.00 H new ATOM 538 N GLU A 232 61.190 -1.572 -4.381 1.00 0.00 N ATOM 539 CA GLU A 232 59.899 -2.193 -4.726 1.00 0.00 C ATOM 540 C GLU A 232 59.531 -3.199 -3.658 1.00 0.00 C ATOM 541 O GLU A 232 58.370 -3.395 -3.303 1.00 0.00 O ATOM 542 CB GLU A 232 60.020 -2.921 -6.068 1.00 0.00 C ATOM 543 CG GLU A 232 60.399 -2.031 -7.240 1.00 0.00 C ATOM 544 CD GLU A 232 60.589 -2.806 -8.517 1.00 0.00 C ATOM 545 OE1 GLU A 232 59.598 -3.055 -9.235 1.00 0.00 O ATOM 546 OE2 GLU A 232 61.737 -3.184 -8.831 1.00 0.00 O ATOM 0 H GLU A 232 61.955 -1.863 -4.990 1.00 0.00 H new ATOM 0 HA GLU A 232 59.134 -1.420 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.766 -3.710 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 232 59.070 -3.406 -6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 232 59.623 -1.280 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 232 61.319 -1.497 -7.003 1.00 0.00 H new ATOM 553 N GLN A 233 60.547 -3.780 -3.131 1.00 0.00 N ATOM 554 CA GLN A 233 60.467 -4.789 -2.131 1.00 0.00 C ATOM 555 C GLN A 233 60.004 -4.255 -0.793 1.00 0.00 C ATOM 556 O GLN A 233 59.239 -4.886 -0.089 1.00 0.00 O ATOM 557 CB GLN A 233 61.812 -5.486 -2.080 1.00 0.00 C ATOM 558 CG GLN A 233 61.902 -6.501 -3.187 1.00 0.00 C ATOM 559 CD GLN A 233 63.117 -7.337 -3.164 1.00 0.00 C ATOM 560 OE1 GLN A 233 64.074 -6.932 -3.910 1.00 0.00 O flip ATOM 561 NE2 GLN A 233 63.163 -8.376 -2.535 1.00 0.00 N flip ATOM 0 H GLN A 233 61.506 -3.555 -3.397 1.00 0.00 H new ATOM 0 HA GLN A 233 59.697 -5.516 -2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.615 -4.755 -2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.942 -5.975 -1.114 1.00 0.00 H new ATOM 0 HG2 GLN A 233 61.029 -7.152 -3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.855 -5.980 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 233 62.373 -8.656 -1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 233 63.992 -8.968 -2.589 1.00 0.00 H new ATOM 570 N ARG A 234 60.464 -3.107 -0.460 1.00 0.00 N ATOM 571 CA ARG A 234 60.065 -2.440 0.786 1.00 0.00 C ATOM 572 C ARG A 234 58.745 -1.753 0.544 1.00 0.00 C ATOM 573 O ARG A 234 57.903 -1.595 1.433 1.00 0.00 O ATOM 574 CB ARG A 234 61.117 -1.426 1.119 1.00 0.00 C ATOM 575 CG ARG A 234 62.458 -1.957 0.785 1.00 0.00 C ATOM 576 CD ARG A 234 63.531 -0.992 0.995 1.00 0.00 C ATOM 577 NE ARG A 234 64.689 -1.397 0.210 1.00 0.00 N ATOM 578 CZ ARG A 234 65.551 -0.542 -0.377 1.00 0.00 C ATOM 579 NH1 ARG A 234 65.348 0.775 -0.305 1.00 0.00 N ATOM 580 NH2 ARG A 234 66.577 -1.010 -1.070 1.00 0.00 N ATOM 0 H ARG A 234 61.130 -2.578 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 234 59.962 -3.148 1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 234 60.934 -0.505 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.070 -1.176 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 234 62.652 -2.842 1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 234 62.465 -2.276 -0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 234 63.205 0.005 0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 234 63.791 -0.941 2.052 1.00 0.00 H new ATOM 0 HE ARG A 234 64.860 -2.396 0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 234 64.538 1.139 0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 234 66.003 1.417 -0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 234 66.715 -2.017 -1.160 1.00 0.00 H new ATOM 0 HH22 ARG A 234 67.229 -0.364 -1.514 1.00 0.00 H new ATOM 594 N ARG A 235 58.582 -1.393 -0.705 1.00 0.00 N ATOM 595 CA ARG A 235 57.415 -0.650 -1.209 1.00 0.00 C ATOM 596 C ARG A 235 56.187 -1.455 -0.978 1.00 0.00 C ATOM 597 O ARG A 235 55.259 -1.005 -0.326 1.00 0.00 O ATOM 598 CB ARG A 235 57.516 -0.416 -2.718 1.00 0.00 C ATOM 599 CG ARG A 235 56.440 0.480 -3.299 1.00 0.00 C ATOM 600 CD ARG A 235 56.751 1.933 -3.030 1.00 0.00 C ATOM 601 NE ARG A 235 58.020 2.301 -3.699 1.00 0.00 N ATOM 602 CZ ARG A 235 58.905 3.220 -3.288 1.00 0.00 C ATOM 603 NH1 ARG A 235 58.625 4.005 -2.269 1.00 0.00 N ATOM 604 NH2 ARG A 235 60.078 3.339 -3.906 1.00 0.00 N ATOM 0 H ARG A 235 59.266 -1.606 -1.431 1.00 0.00 H new ATOM 0 HA ARG A 235 57.380 0.306 -0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.490 0.021 -2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.477 -1.381 -3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 235 56.362 0.313 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.473 0.224 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 235 55.940 2.563 -3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.830 2.106 -1.957 1.00 0.00 H new ATOM 0 HE ARG A 235 58.244 1.804 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 235 57.730 3.916 -1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 235 59.303 4.702 -1.961 1.00 0.00 H new ATOM 0 HH21 ARG A 235 60.304 2.731 -4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 235 60.751 4.039 -3.593 1.00 0.00 H new ATOM 618 N THR A 236 56.230 -2.677 -1.474 1.00 0.00 N ATOM 619 CA THR A 236 55.131 -3.597 -1.432 1.00 0.00 C ATOM 620 C THR A 236 54.644 -3.824 0.011 1.00 0.00 C ATOM 621 O THR A 236 53.471 -4.023 0.247 1.00 0.00 O ATOM 622 CB THR A 236 55.523 -4.929 -2.138 1.00 0.00 C ATOM 623 OG1 THR A 236 54.364 -5.714 -2.420 1.00 0.00 O ATOM 624 CG2 THR A 236 56.459 -5.755 -1.292 1.00 0.00 C ATOM 0 H THR A 236 57.059 -3.059 -1.929 1.00 0.00 H new ATOM 0 HA THR A 236 54.291 -3.165 -1.976 1.00 0.00 H new ATOM 0 HB THR A 236 56.026 -4.654 -3.065 1.00 0.00 H new ATOM 0 HG1 THR A 236 54.632 -6.545 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 236 56.709 -6.676 -1.819 1.00 0.00 H new ATOM 0 HG22 THR A 236 57.370 -5.189 -1.099 1.00 0.00 H new ATOM 0 HG23 THR A 236 55.975 -5.998 -0.346 1.00 0.00 H new ATOM 632 N VAL A 237 55.547 -3.689 0.958 1.00 0.00 N ATOM 633 CA VAL A 237 55.255 -3.873 2.353 1.00 0.00 C ATOM 634 C VAL A 237 54.553 -2.651 2.947 1.00 0.00 C ATOM 635 O VAL A 237 53.638 -2.778 3.748 1.00 0.00 O ATOM 636 CB VAL A 237 56.547 -4.204 3.112 1.00 0.00 C ATOM 637 CG1 VAL A 237 56.361 -4.192 4.604 1.00 0.00 C ATOM 638 CG2 VAL A 237 57.052 -5.544 2.663 1.00 0.00 C ATOM 0 H VAL A 237 56.519 -3.444 0.771 1.00 0.00 H new ATOM 0 HA VAL A 237 54.565 -4.710 2.456 1.00 0.00 H new ATOM 0 HB VAL A 237 57.277 -3.428 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 237 57.306 -4.433 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 237 56.031 -3.203 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 237 55.611 -4.932 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 237 57.970 -5.785 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 237 56.300 -6.305 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 237 57.253 -5.517 1.592 1.00 0.00 H new ATOM 648 N ARG A 238 54.916 -1.490 2.479 1.00 0.00 N ATOM 649 CA ARG A 238 54.333 -0.240 2.972 1.00 0.00 C ATOM 650 C ARG A 238 52.963 -0.143 2.378 1.00 0.00 C ATOM 651 O ARG A 238 52.000 0.202 3.028 1.00 0.00 O ATOM 652 CB ARG A 238 55.186 0.950 2.520 1.00 0.00 C ATOM 653 CG ARG A 238 56.532 1.088 3.216 1.00 0.00 C ATOM 654 CD ARG A 238 57.482 1.891 2.355 1.00 0.00 C ATOM 655 NE ARG A 238 58.701 2.368 3.045 1.00 0.00 N ATOM 656 CZ ARG A 238 59.374 3.512 2.723 1.00 0.00 C ATOM 657 NH1 ARG A 238 58.976 4.259 1.712 1.00 0.00 N ATOM 658 NH2 ARG A 238 60.451 3.880 3.414 1.00 0.00 N ATOM 0 H ARG A 238 55.618 -1.366 1.750 1.00 0.00 H new ATOM 0 HA ARG A 238 54.292 -0.227 4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.358 0.866 1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 238 54.617 1.866 2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 238 56.403 1.577 4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 238 56.952 0.101 3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 238 57.781 1.280 1.503 1.00 0.00 H new ATOM 0 HD3 ARG A 238 56.947 2.753 1.957 1.00 0.00 H new ATOM 0 HE ARG A 238 59.063 1.804 3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 238 58.161 3.984 1.165 1.00 0.00 H new ATOM 0 HH12 ARG A 238 59.484 5.112 1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 238 60.779 3.306 4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 238 60.948 4.736 3.167 1.00 0.00 H new ATOM 672 N VAL A 239 52.912 -0.536 1.154 1.00 0.00 N ATOM 673 CA VAL A 239 51.754 -0.599 0.367 1.00 0.00 C ATOM 674 C VAL A 239 50.755 -1.649 0.933 1.00 0.00 C ATOM 675 O VAL A 239 49.537 -1.448 0.927 1.00 0.00 O ATOM 676 CB VAL A 239 52.242 -0.897 -1.066 1.00 0.00 C ATOM 677 CG1 VAL A 239 51.243 -1.566 -1.901 1.00 0.00 C ATOM 678 CG2 VAL A 239 52.725 0.381 -1.731 1.00 0.00 C ATOM 0 H VAL A 239 53.745 -0.842 0.650 1.00 0.00 H new ATOM 0 HA VAL A 239 51.188 0.332 0.371 1.00 0.00 H new ATOM 0 HB VAL A 239 53.070 -1.599 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 239 51.658 -1.743 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 239 50.969 -2.518 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 239 50.358 -0.936 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 239 53.067 0.158 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 239 51.907 1.100 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 239 53.548 0.803 -1.154 1.00 0.00 H new ATOM 688 N TYR A 240 51.291 -2.720 1.451 1.00 0.00 N ATOM 689 CA TYR A 240 50.512 -3.769 2.090 1.00 0.00 C ATOM 690 C TYR A 240 49.995 -3.323 3.474 1.00 0.00 C ATOM 691 O TYR A 240 48.793 -3.408 3.765 1.00 0.00 O ATOM 692 CB TYR A 240 51.405 -5.020 2.204 1.00 0.00 C ATOM 693 CG TYR A 240 50.906 -6.128 3.080 1.00 0.00 C ATOM 694 CD1 TYR A 240 49.936 -7.014 2.652 1.00 0.00 C ATOM 695 CD2 TYR A 240 51.436 -6.294 4.341 1.00 0.00 C ATOM 696 CE1 TYR A 240 49.507 -8.038 3.471 1.00 0.00 C ATOM 697 CE2 TYR A 240 51.020 -7.300 5.158 1.00 0.00 C ATOM 698 CZ TYR A 240 50.052 -8.173 4.726 1.00 0.00 C ATOM 699 OH TYR A 240 49.630 -9.188 5.558 1.00 0.00 O ATOM 0 H TYR A 240 52.295 -2.900 1.446 1.00 0.00 H new ATOM 0 HA TYR A 240 49.631 -3.993 1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.557 -5.421 1.202 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.382 -4.708 2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 240 49.509 -6.904 1.666 1.00 0.00 H new ATOM 0 HD2 TYR A 240 52.198 -5.612 4.688 1.00 0.00 H new ATOM 0 HE1 TYR A 240 48.749 -8.728 3.129 1.00 0.00 H new ATOM 0 HE2 TYR A 240 51.450 -7.411 6.143 1.00 0.00 H new ATOM 0 HH TYR A 240 50.118 -9.140 6.406 1.00 0.00 H new ATOM 709 N PHE A 241 50.901 -2.841 4.299 1.00 0.00 N ATOM 710 CA PHE A 241 50.599 -2.450 5.664 1.00 0.00 C ATOM 711 C PHE A 241 49.921 -1.089 5.813 1.00 0.00 C ATOM 712 O PHE A 241 48.888 -0.978 6.474 1.00 0.00 O ATOM 713 CB PHE A 241 51.873 -2.422 6.478 1.00 0.00 C ATOM 714 CG PHE A 241 52.404 -3.743 6.949 1.00 0.00 C ATOM 715 CD1 PHE A 241 51.659 -4.573 7.782 1.00 0.00 C ATOM 716 CD2 PHE A 241 53.668 -4.132 6.598 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.194 -5.773 8.238 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.205 -5.311 7.055 1.00 0.00 C ATOM 719 CZ PHE A 241 53.480 -6.132 7.866 1.00 0.00 C ATOM 0 H PHE A 241 51.878 -2.708 4.040 1.00 0.00 H new ATOM 0 HA PHE A 241 49.890 -3.198 6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.647 -1.938 5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 241 51.704 -1.793 7.352 1.00 0.00 H new ATOM 0 HD1 PHE A 241 50.661 -4.284 8.076 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.255 -3.500 5.949 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.612 -6.420 8.877 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.209 -5.589 6.770 1.00 0.00 H new ATOM 0 HZ PHE A 241 53.906 -7.060 8.218 1.00 0.00 H new ATOM 729 N LEU A 242 50.485 -0.070 5.231 1.00 0.00 N ATOM 730 CA LEU A 242 50.009 1.283 5.461 1.00 0.00 C ATOM 731 C LEU A 242 49.264 1.906 4.279 1.00 0.00 C ATOM 732 O LEU A 242 48.688 2.994 4.413 1.00 0.00 O ATOM 733 CB LEU A 242 51.116 2.217 6.031 1.00 0.00 C ATOM 734 CG LEU A 242 52.534 2.072 5.461 1.00 0.00 C ATOM 735 CD1 LEU A 242 53.182 3.434 5.363 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.388 1.172 6.379 1.00 0.00 C ATOM 0 H LEU A 242 51.276 -0.140 4.591 1.00 0.00 H new ATOM 0 HA LEU A 242 49.251 1.179 6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 242 50.797 3.248 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.169 2.056 7.108 1.00 0.00 H new ATOM 0 HG LEU A 242 52.470 1.619 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 242 54.189 3.330 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 242 52.591 4.072 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 242 53.234 3.884 6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.391 1.077 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.447 1.617 7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 242 52.930 0.186 6.450 1.00 0.00 H new ATOM 748 N GLY A 243 49.269 1.251 3.139 1.00 0.00 N ATOM 749 CA GLY A 243 48.466 1.735 2.035 1.00 0.00 C ATOM 750 C GLY A 243 49.220 1.805 0.723 1.00 0.00 C ATOM 751 O GLY A 243 50.401 2.120 0.705 1.00 0.00 O ATOM 0 H GLY A 243 49.805 0.403 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.601 1.084 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 243 48.086 2.727 2.280 1.00 0.00 H new