USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 SER OG : rot 180:sc= -0.0834 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 47:sc= 1.1 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.224 F(o=-1.7!,f=-0.22) USER MOD Single : A 20 THR OG1 : rot 102:sc= -0.94! USER MOD Single : A 21 MET CE :methyl 167:sc= 0 (180deg=-0.356) USER MOD Single : A 28 ASN : amide:sc= -2.25 X(o=-2.2,f=-1.8) USER MOD Single : A 30 HIS : no HD1:sc= 0.053 K(o=0.053,f=-3.2!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -3.52! C(o=-4.5!,f=-3.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= -1.84 (180deg=-4.46!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.25) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.226 F(o=-1.1,f=-0.23) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 158:sc= -0.508 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -45:sc= 0.446 USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= -0.441 (180deg=-1.96!) USER MOD Single : A 68 THR OG1 : rot -77:sc= 0.925 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 6 1.014 16.789 -1.046 1.00 0.00 N ATOM 78 CA SER A 6 1.867 17.960 -1.377 1.00 0.00 C ATOM 79 C SER A 6 3.343 17.598 -1.291 1.00 0.00 C ATOM 80 O SER A 6 3.692 16.491 -0.929 1.00 0.00 O ATOM 81 CB SER A 6 1.575 19.069 -0.355 1.00 0.00 C ATOM 82 OG SER A 6 2.063 20.250 -0.975 1.00 0.00 O ATOM 0 HA SER A 6 1.646 18.287 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.509 19.143 -0.141 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.078 18.880 0.593 1.00 0.00 H new ATOM 0 HG SER A 6 1.913 21.016 -0.383 1.00 0.00 H new ATOM 88 N PHE A 7 4.187 18.541 -1.632 1.00 0.00 N ATOM 89 CA PHE A 7 5.647 18.275 -1.577 1.00 0.00 C ATOM 90 C PHE A 7 6.379 19.505 -1.062 1.00 0.00 C ATOM 91 O PHE A 7 5.882 20.604 -1.178 1.00 0.00 O ATOM 92 CB PHE A 7 6.134 17.955 -2.998 1.00 0.00 C ATOM 93 CG PHE A 7 5.747 16.514 -3.348 1.00 0.00 C ATOM 94 CD1 PHE A 7 6.289 15.450 -2.647 1.00 0.00 C ATOM 95 CD2 PHE A 7 4.845 16.256 -4.366 1.00 0.00 C ATOM 96 CE1 PHE A 7 5.933 14.153 -2.961 1.00 0.00 C ATOM 97 CE2 PHE A 7 4.492 14.958 -4.677 1.00 0.00 C ATOM 98 CZ PHE A 7 5.036 13.908 -3.975 1.00 0.00 C ATOM 0 H PHE A 7 3.925 19.476 -1.943 1.00 0.00 H new ATOM 0 HA PHE A 7 5.845 17.438 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 7 5.690 18.648 -3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.215 18.080 -3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.994 15.635 -1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.414 17.076 -4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.360 13.329 -2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 7 3.787 14.767 -5.473 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.760 12.893 -4.219 1.00 0.00 H new ATOM 108 N GLU A 8 7.547 19.295 -0.492 1.00 0.00 N ATOM 109 CA GLU A 8 8.330 20.453 0.042 1.00 0.00 C ATOM 110 C GLU A 8 9.733 20.492 -0.554 1.00 0.00 C ATOM 111 O GLU A 8 10.354 19.468 -0.757 1.00 0.00 O ATOM 112 CB GLU A 8 8.447 20.300 1.571 1.00 0.00 C ATOM 113 CG GLU A 8 8.338 18.820 1.947 1.00 0.00 C ATOM 114 CD GLU A 8 8.802 18.634 3.394 1.00 0.00 C ATOM 115 OE1 GLU A 8 8.282 19.357 4.227 1.00 0.00 O ATOM 116 OE2 GLU A 8 9.652 17.779 3.583 1.00 0.00 O ATOM 0 H GLU A 8 7.985 18.381 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 8 7.815 21.376 -0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.399 20.704 1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.661 20.870 2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.309 18.479 1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.949 18.216 1.276 1.00 0.00 H new ATOM 123 N MET A 9 10.206 21.683 -0.824 1.00 0.00 N ATOM 124 CA MET A 9 11.566 21.814 -1.407 1.00 0.00 C ATOM 125 C MET A 9 12.114 23.229 -1.224 1.00 0.00 C ATOM 126 O MET A 9 11.483 24.197 -1.604 1.00 0.00 O ATOM 127 CB MET A 9 11.477 21.519 -2.913 1.00 0.00 C ATOM 128 CG MET A 9 12.801 20.908 -3.379 1.00 0.00 C ATOM 129 SD MET A 9 13.002 19.118 -3.202 1.00 0.00 S ATOM 130 CE MET A 9 12.366 18.653 -4.832 1.00 0.00 C ATOM 0 H MET A 9 9.710 22.560 -0.666 1.00 0.00 H new ATOM 0 HA MET A 9 12.232 21.115 -0.901 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.654 20.833 -3.115 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.270 22.436 -3.465 1.00 0.00 H new ATOM 0 HG2 MET A 9 12.936 21.159 -4.431 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.608 21.393 -2.829 1.00 0.00 H new ATOM 0 HE1 MET A 9 12.399 17.569 -4.940 1.00 0.00 H new ATOM 0 HE2 MET A 9 11.336 18.996 -4.932 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.979 19.114 -5.607 1.00 0.00 H new ATOM 140 N GLU A 10 13.283 23.327 -0.641 1.00 0.00 N ATOM 141 CA GLU A 10 13.884 24.669 -0.429 1.00 0.00 C ATOM 142 C GLU A 10 14.530 25.165 -1.718 1.00 0.00 C ATOM 143 O GLU A 10 15.048 24.382 -2.489 1.00 0.00 O ATOM 144 CB GLU A 10 14.980 24.553 0.646 1.00 0.00 C ATOM 145 CG GLU A 10 14.348 24.142 1.974 1.00 0.00 C ATOM 146 CD GLU A 10 14.318 22.617 2.073 1.00 0.00 C ATOM 147 OE1 GLU A 10 14.475 22.004 1.031 1.00 0.00 O ATOM 148 OE2 GLU A 10 14.141 22.151 3.186 1.00 0.00 O ATOM 0 H GLU A 10 13.839 22.540 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 10 13.105 25.366 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.726 23.818 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.498 25.506 0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.917 24.560 2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.337 24.542 2.047 1.00 0.00 H new ATOM 155 N GLY A 11 14.489 26.452 -1.941 1.00 0.00 N ATOM 156 CA GLY A 11 15.110 26.986 -3.193 1.00 0.00 C ATOM 157 C GLY A 11 15.410 28.473 -3.043 1.00 0.00 C ATOM 158 O GLY A 11 15.214 29.038 -1.988 1.00 0.00 O ATOM 0 H GLY A 11 14.063 27.145 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.030 26.443 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.438 26.827 -4.037 1.00 0.00 H new ATOM 162 N THR A 12 15.881 29.073 -4.109 1.00 0.00 N ATOM 163 CA THR A 12 16.203 30.521 -4.065 1.00 0.00 C ATOM 164 C THR A 12 15.335 31.252 -5.067 1.00 0.00 C ATOM 165 O THR A 12 14.992 30.700 -6.085 1.00 0.00 O ATOM 166 CB THR A 12 17.678 30.701 -4.444 1.00 0.00 C ATOM 167 OG1 THR A 12 18.394 29.847 -3.575 1.00 0.00 O ATOM 168 CG2 THR A 12 18.164 32.108 -4.092 1.00 0.00 C ATOM 0 H THR A 12 16.054 28.617 -5.005 1.00 0.00 H new ATOM 0 HA THR A 12 16.021 30.920 -3.067 1.00 0.00 H new ATOM 0 HB THR A 12 17.812 30.508 -5.508 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.353 29.914 -3.767 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.213 32.211 -4.370 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.571 32.844 -4.634 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.055 32.273 -3.020 1.00 0.00 H new ATOM 176 N VAL A 13 15.016 32.491 -4.782 1.00 0.00 N ATOM 177 CA VAL A 13 14.134 33.265 -5.765 1.00 0.00 C ATOM 178 C VAL A 13 14.852 34.310 -6.593 1.00 0.00 C ATOM 179 O VAL A 13 15.109 35.385 -6.124 1.00 0.00 O ATOM 180 CB VAL A 13 13.070 34.016 -4.971 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.164 34.765 -5.947 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.234 32.991 -4.184 1.00 0.00 C ATOM 0 H VAL A 13 15.306 33.001 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 13 13.742 32.513 -6.450 1.00 0.00 H new ATOM 0 HB VAL A 13 13.535 34.724 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.399 35.306 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.759 35.471 -6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.688 34.053 -6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.467 33.511 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.759 32.298 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.882 32.437 -3.505 1.00 0.00 H new ATOM 192 N VAL A 14 15.094 34.006 -7.858 1.00 0.00 N ATOM 193 CA VAL A 14 15.779 34.991 -8.693 1.00 0.00 C ATOM 194 C VAL A 14 15.182 34.972 -10.093 1.00 0.00 C ATOM 195 O VAL A 14 15.670 34.344 -11.011 1.00 0.00 O ATOM 196 CB VAL A 14 17.268 34.604 -8.759 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.130 35.866 -8.632 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.598 33.647 -7.613 1.00 0.00 C ATOM 0 H VAL A 14 14.843 33.130 -8.317 1.00 0.00 H new ATOM 0 HA VAL A 14 15.666 35.991 -8.275 1.00 0.00 H new ATOM 0 HB VAL A 14 17.474 34.116 -9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.184 35.593 -8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.896 36.550 -9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.923 36.353 -7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.652 33.373 -7.660 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.392 34.135 -6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 14 16.986 32.750 -7.701 1.00 0.00 H new ATOM 208 N ASP A 15 14.147 35.707 -10.184 1.00 0.00 N ATOM 209 CA ASP A 15 13.379 35.866 -11.445 1.00 0.00 C ATOM 210 C ASP A 15 12.164 36.701 -11.131 1.00 0.00 C ATOM 211 O ASP A 15 11.533 36.471 -10.119 1.00 0.00 O ATOM 212 CB ASP A 15 12.902 34.507 -11.959 1.00 0.00 C ATOM 213 CG ASP A 15 12.272 34.683 -13.344 1.00 0.00 C ATOM 214 OD1 ASP A 15 13.027 34.586 -14.298 1.00 0.00 O ATOM 215 OD2 ASP A 15 11.072 34.906 -13.370 1.00 0.00 O ATOM 0 H ASP A 15 13.768 36.240 -9.401 1.00 0.00 H new ATOM 0 HA ASP A 15 14.010 36.330 -12.203 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.739 33.811 -12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.176 34.078 -11.268 1.00 0.00 H new ATOM 220 N THR A 16 11.830 37.627 -11.979 1.00 0.00 N ATOM 221 CA THR A 16 10.631 38.468 -11.692 1.00 0.00 C ATOM 222 C THR A 16 9.623 38.398 -12.816 1.00 0.00 C ATOM 223 O THR A 16 9.859 38.885 -13.906 1.00 0.00 O ATOM 224 CB THR A 16 11.081 39.918 -11.519 1.00 0.00 C ATOM 225 OG1 THR A 16 11.745 40.251 -12.719 1.00 0.00 O ATOM 226 CG2 THR A 16 12.164 40.027 -10.433 1.00 0.00 C ATOM 0 H THR A 16 12.323 37.840 -12.846 1.00 0.00 H new ATOM 0 HA THR A 16 10.156 38.094 -10.785 1.00 0.00 H new ATOM 0 HB THR A 16 10.224 40.543 -11.269 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.207 39.956 -13.483 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.469 41.068 -10.327 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.766 39.667 -9.484 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.026 39.423 -10.717 1.00 0.00 H new ATOM 234 N LEU A 17 8.512 37.787 -12.518 1.00 0.00 N ATOM 235 CA LEU A 17 7.448 37.649 -13.525 1.00 0.00 C ATOM 236 C LEU A 17 6.352 38.708 -13.273 1.00 0.00 C ATOM 237 O LEU A 17 6.336 39.335 -12.225 1.00 0.00 O ATOM 238 CB LEU A 17 6.857 36.249 -13.369 1.00 0.00 C ATOM 239 CG LEU A 17 7.885 35.217 -13.851 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.234 33.854 -13.856 1.00 0.00 C ATOM 241 CD2 LEU A 17 8.334 35.549 -15.277 1.00 0.00 C ATOM 0 H LEU A 17 8.302 37.376 -11.608 1.00 0.00 H new ATOM 0 HA LEU A 17 7.843 37.794 -14.530 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.598 36.064 -12.327 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.937 36.162 -13.947 1.00 0.00 H new ATOM 0 HG LEU A 17 8.749 35.231 -13.187 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.953 33.109 -14.197 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.903 33.605 -12.848 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.375 33.863 -14.527 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.064 34.811 -15.610 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.471 35.533 -15.943 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.787 36.540 -15.294 1.00 0.00 H new ATOM 253 N PRO A 18 5.410 38.856 -14.205 1.00 0.00 N ATOM 254 CA PRO A 18 4.342 39.838 -14.035 1.00 0.00 C ATOM 255 C PRO A 18 3.093 39.185 -13.484 1.00 0.00 C ATOM 256 O PRO A 18 2.957 37.985 -13.527 1.00 0.00 O ATOM 257 CB PRO A 18 4.039 40.297 -15.473 1.00 0.00 C ATOM 258 CG PRO A 18 4.634 39.205 -16.426 1.00 0.00 C ATOM 259 CD PRO A 18 5.450 38.235 -15.542 1.00 0.00 C ATOM 0 HA PRO A 18 4.631 40.638 -13.353 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.965 40.403 -15.628 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.487 41.271 -15.672 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.839 38.674 -16.949 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.268 39.660 -17.187 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.011 37.237 -15.533 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.473 38.130 -15.903 1.00 0.00 H new ATOM 267 N ASN A 19 2.219 40.003 -12.954 1.00 0.00 N ATOM 268 CA ASN A 19 0.955 39.481 -12.375 1.00 0.00 C ATOM 269 C ASN A 19 1.222 38.996 -10.958 1.00 0.00 C ATOM 270 O ASN A 19 0.440 38.268 -10.380 1.00 0.00 O ATOM 271 CB ASN A 19 0.433 38.311 -13.233 1.00 0.00 C ATOM 272 CG ASN A 19 -1.098 38.321 -13.227 1.00 0.00 C ATOM 273 OD1 ASN A 19 -1.726 39.036 -12.332 1.00 0.00 O flip ATOM 274 ND2 ASN A 19 -1.738 37.678 -14.036 1.00 0.00 N flip ATOM 0 H ASN A 19 2.332 41.015 -12.900 1.00 0.00 H new ATOM 0 HA ASN A 19 0.205 40.272 -12.359 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.804 38.400 -14.254 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.803 37.364 -12.840 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.256 37.117 -14.738 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.758 37.699 -14.013 1.00 0.00 H new ATOM 281 N THR A 20 2.351 39.420 -10.437 1.00 0.00 N ATOM 282 CA THR A 20 2.744 39.028 -9.058 1.00 0.00 C ATOM 283 C THR A 20 3.326 37.611 -9.009 1.00 0.00 C ATOM 284 O THR A 20 2.781 36.738 -8.363 1.00 0.00 O ATOM 285 CB THR A 20 1.502 39.106 -8.150 1.00 0.00 C ATOM 286 OG1 THR A 20 0.680 40.095 -8.733 1.00 0.00 O ATOM 287 CG2 THR A 20 1.872 39.679 -6.771 1.00 0.00 C ATOM 0 H THR A 20 3.017 40.025 -10.917 1.00 0.00 H new ATOM 0 HA THR A 20 3.519 39.713 -8.714 1.00 0.00 H new ATOM 0 HB THR A 20 1.053 38.118 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.049 39.665 -9.227 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.981 39.726 -6.145 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.615 39.037 -6.297 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.283 40.681 -6.892 1.00 0.00 H new ATOM 295 N MET A 21 4.430 37.399 -9.694 1.00 0.00 N ATOM 296 CA MET A 21 5.034 36.037 -9.672 1.00 0.00 C ATOM 297 C MET A 21 6.553 36.107 -9.791 1.00 0.00 C ATOM 298 O MET A 21 7.100 37.090 -10.249 1.00 0.00 O ATOM 299 CB MET A 21 4.478 35.210 -10.847 1.00 0.00 C ATOM 300 CG MET A 21 3.818 36.132 -11.867 1.00 0.00 C ATOM 301 SD MET A 21 3.044 35.343 -13.303 1.00 0.00 S ATOM 302 CE MET A 21 1.656 34.576 -12.429 1.00 0.00 C ATOM 0 H MET A 21 4.924 38.095 -10.252 1.00 0.00 H new ATOM 0 HA MET A 21 4.779 35.567 -8.722 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.283 34.648 -11.320 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.754 34.482 -10.480 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.058 36.720 -11.352 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.571 36.832 -12.229 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.919 34.227 -13.152 1.00 0.00 H new ATOM 0 HE2 MET A 21 2.017 33.731 -11.843 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.195 35.307 -11.765 1.00 0.00 H new ATOM 312 N PHE A 22 7.200 35.054 -9.374 1.00 0.00 N ATOM 313 CA PHE A 22 8.673 35.013 -9.441 1.00 0.00 C ATOM 314 C PHE A 22 9.122 33.566 -9.598 1.00 0.00 C ATOM 315 O PHE A 22 8.392 32.663 -9.238 1.00 0.00 O ATOM 316 CB PHE A 22 9.223 35.565 -8.115 1.00 0.00 C ATOM 317 CG PHE A 22 8.349 36.735 -7.658 1.00 0.00 C ATOM 318 CD1 PHE A 22 7.199 36.506 -6.924 1.00 0.00 C ATOM 319 CD2 PHE A 22 8.695 38.038 -7.974 1.00 0.00 C ATOM 320 CE1 PHE A 22 6.410 37.561 -6.515 1.00 0.00 C ATOM 321 CE2 PHE A 22 7.904 39.089 -7.563 1.00 0.00 C ATOM 322 CZ PHE A 22 6.764 38.850 -6.834 1.00 0.00 C ATOM 0 H PHE A 22 6.761 34.218 -8.988 1.00 0.00 H new ATOM 0 HA PHE A 22 9.035 35.603 -10.283 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.230 34.782 -7.356 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.254 35.894 -8.244 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.917 35.495 -6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.590 38.232 -8.546 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.513 37.374 -5.943 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.181 40.102 -7.814 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.146 39.675 -6.512 1.00 0.00 H new ATOM 332 N ARG A 23 10.306 33.358 -10.114 1.00 0.00 N ATOM 333 CA ARG A 23 10.777 31.944 -10.281 1.00 0.00 C ATOM 334 C ARG A 23 11.715 31.570 -9.175 1.00 0.00 C ATOM 335 O ARG A 23 12.586 32.346 -8.811 1.00 0.00 O ATOM 336 CB ARG A 23 11.546 31.788 -11.613 1.00 0.00 C ATOM 337 CG ARG A 23 11.510 30.316 -12.044 1.00 0.00 C ATOM 338 CD ARG A 23 12.215 30.170 -13.395 1.00 0.00 C ATOM 339 NE ARG A 23 11.781 31.277 -14.293 1.00 0.00 N ATOM 340 CZ ARG A 23 12.346 31.412 -15.462 1.00 0.00 C ATOM 341 NH1 ARG A 23 12.007 30.599 -16.424 1.00 0.00 N ATOM 342 NH2 ARG A 23 13.228 32.359 -15.631 1.00 0.00 N ATOM 0 H ARG A 23 10.955 34.083 -10.421 1.00 0.00 H new ATOM 0 HA ARG A 23 9.897 31.301 -10.268 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.097 32.416 -12.382 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.577 32.120 -11.493 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.000 29.693 -11.295 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.479 29.972 -12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.296 30.197 -13.260 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.974 29.206 -13.843 1.00 0.00 H new ATOM 0 HE ARG A 23 11.049 31.923 -13.997 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.311 29.873 -16.256 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.438 30.690 -17.344 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.466 32.979 -14.856 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.680 32.479 -16.538 1.00 0.00 H new ATOM 356 N VAL A 24 11.537 30.381 -8.658 1.00 0.00 N ATOM 357 CA VAL A 24 12.402 29.931 -7.581 1.00 0.00 C ATOM 358 C VAL A 24 13.264 28.868 -8.160 1.00 0.00 C ATOM 359 O VAL A 24 12.770 27.895 -8.696 1.00 0.00 O ATOM 360 CB VAL A 24 11.539 29.400 -6.425 1.00 0.00 C ATOM 361 CG1 VAL A 24 10.730 28.213 -6.891 1.00 0.00 C ATOM 362 CG2 VAL A 24 12.442 28.972 -5.268 1.00 0.00 C ATOM 0 H VAL A 24 10.821 29.716 -8.951 1.00 0.00 H new ATOM 0 HA VAL A 24 13.018 30.734 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 24 10.864 30.189 -6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.121 27.842 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.082 28.515 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.402 27.425 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.830 28.596 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.119 28.187 -5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.022 29.828 -4.924 1.00 0.00 H new ATOM 372 N GLU A 25 14.535 29.049 -8.056 1.00 0.00 N ATOM 373 CA GLU A 25 15.426 28.045 -8.619 1.00 0.00 C ATOM 374 C GLU A 25 15.836 26.979 -7.635 1.00 0.00 C ATOM 375 O GLU A 25 16.076 27.208 -6.466 1.00 0.00 O ATOM 376 CB GLU A 25 16.687 28.759 -9.127 1.00 0.00 C ATOM 377 CG GLU A 25 17.489 29.267 -7.938 1.00 0.00 C ATOM 378 CD GLU A 25 18.666 30.108 -8.440 1.00 0.00 C ATOM 379 OE1 GLU A 25 19.012 29.917 -9.594 1.00 0.00 O ATOM 380 OE2 GLU A 25 19.151 30.892 -7.640 1.00 0.00 O ATOM 0 H GLU A 25 14.987 29.846 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 25 14.883 27.540 -9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.291 28.075 -9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 25 16.412 29.590 -9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.853 29.865 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 25 17.854 28.428 -7.346 1.00 0.00 H new ATOM 387 N LEU A 26 15.875 25.840 -8.180 1.00 0.00 N ATOM 388 CA LEU A 26 16.237 24.632 -7.497 1.00 0.00 C ATOM 389 C LEU A 26 17.298 24.073 -8.393 1.00 0.00 C ATOM 390 O LEU A 26 17.359 22.888 -8.652 1.00 0.00 O ATOM 391 CB LEU A 26 15.021 23.693 -7.390 1.00 0.00 C ATOM 392 CG LEU A 26 13.962 24.371 -6.523 1.00 0.00 C ATOM 393 CD1 LEU A 26 12.636 23.627 -6.668 1.00 0.00 C ATOM 394 CD2 LEU A 26 14.398 24.326 -5.055 1.00 0.00 C ATOM 0 H LEU A 26 15.648 25.693 -9.163 1.00 0.00 H new ATOM 0 HA LEU A 26 16.577 24.776 -6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.619 23.478 -8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.316 22.739 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 26 13.844 25.407 -6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.879 24.109 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.320 23.647 -7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.762 22.593 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.642 24.810 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.514 23.289 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.348 24.848 -4.942 1.00 0.00 H new ATOM 406 N GLU A 27 18.067 25.044 -8.947 1.00 0.00 N ATOM 407 CA GLU A 27 19.186 24.747 -9.890 1.00 0.00 C ATOM 408 C GLU A 27 19.930 23.515 -9.516 1.00 0.00 C ATOM 409 O GLU A 27 20.833 23.102 -10.219 1.00 0.00 O ATOM 410 CB GLU A 27 20.162 25.933 -9.871 1.00 0.00 C ATOM 411 CG GLU A 27 21.032 25.850 -8.618 1.00 0.00 C ATOM 412 CD GLU A 27 21.739 27.188 -8.411 1.00 0.00 C ATOM 413 OE1 GLU A 27 22.774 27.353 -9.033 1.00 0.00 O ATOM 414 OE2 GLU A 27 21.204 27.970 -7.643 1.00 0.00 O ATOM 0 H GLU A 27 17.937 26.038 -8.760 1.00 0.00 H new ATOM 0 HA GLU A 27 18.759 24.589 -10.880 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.787 25.919 -10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.610 26.873 -9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.419 25.611 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.765 25.050 -8.721 1.00 0.00 H new ATOM 421 N ASN A 28 19.583 22.946 -8.426 1.00 0.00 N ATOM 422 CA ASN A 28 20.262 21.735 -8.040 1.00 0.00 C ATOM 423 C ASN A 28 19.760 20.686 -9.044 1.00 0.00 C ATOM 424 O ASN A 28 19.735 19.501 -8.782 1.00 0.00 O ATOM 425 CB ASN A 28 19.836 21.339 -6.615 1.00 0.00 C ATOM 426 CG ASN A 28 18.312 21.261 -6.548 1.00 0.00 C ATOM 427 OD1 ASN A 28 17.697 20.378 -7.114 1.00 0.00 O ATOM 428 ND2 ASN A 28 17.664 22.166 -5.866 1.00 0.00 N ATOM 0 H ASN A 28 18.856 23.273 -7.789 1.00 0.00 H new ATOM 0 HA ASN A 28 21.347 21.836 -8.045 1.00 0.00 H new ATOM 0 HB2 ASN A 28 20.273 20.377 -6.346 1.00 0.00 H new ATOM 0 HB3 ASN A 28 20.206 22.070 -5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.646 22.130 -5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.175 22.909 -5.389 1.00 0.00 H new ATOM 435 N GLY A 29 19.365 21.211 -10.219 1.00 0.00 N ATOM 436 CA GLY A 29 18.845 20.374 -11.321 1.00 0.00 C ATOM 437 C GLY A 29 17.356 20.730 -11.660 1.00 0.00 C ATOM 438 O GLY A 29 16.890 20.383 -12.730 1.00 0.00 O ATOM 0 H GLY A 29 19.395 22.208 -10.431 1.00 0.00 H new ATOM 0 HA2 GLY A 29 19.464 20.512 -12.207 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.915 19.322 -11.044 1.00 0.00 H new ATOM 442 N HIS A 30 16.635 21.414 -10.748 1.00 0.00 N ATOM 443 CA HIS A 30 15.191 21.765 -11.060 1.00 0.00 C ATOM 444 C HIS A 30 14.881 23.287 -10.951 1.00 0.00 C ATOM 445 O HIS A 30 15.597 24.031 -10.328 1.00 0.00 O ATOM 446 CB HIS A 30 14.293 21.003 -10.073 1.00 0.00 C ATOM 447 CG HIS A 30 12.878 20.910 -10.648 1.00 0.00 C ATOM 448 ND1 HIS A 30 12.586 21.062 -11.852 1.00 0.00 N ATOM 449 CD2 HIS A 30 11.680 20.645 -10.011 1.00 0.00 C ATOM 450 CE1 HIS A 30 11.342 20.924 -12.051 1.00 0.00 C ATOM 451 NE2 HIS A 30 10.675 20.655 -10.928 1.00 0.00 N ATOM 0 H HIS A 30 16.979 21.727 -9.840 1.00 0.00 H new ATOM 0 HA HIS A 30 15.002 21.482 -12.096 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.693 20.005 -9.896 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.274 21.514 -9.111 1.00 0.00 H new ATOM 0 HD2 HIS A 30 11.561 20.460 -8.954 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.875 21.014 -13.021 1.00 0.00 H new ATOM 0 HE2 HIS A 30 9.676 20.498 -10.792 1.00 0.00 H new ATOM 459 N VAL A 31 13.843 23.706 -11.648 1.00 0.00 N ATOM 460 CA VAL A 31 13.420 25.156 -11.629 1.00 0.00 C ATOM 461 C VAL A 31 11.898 25.214 -11.359 1.00 0.00 C ATOM 462 O VAL A 31 11.185 24.336 -11.804 1.00 0.00 O ATOM 463 CB VAL A 31 13.718 25.768 -13.007 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.526 25.536 -13.940 1.00 0.00 C ATOM 465 CG2 VAL A 31 13.948 27.270 -12.847 1.00 0.00 C ATOM 0 H VAL A 31 13.266 23.103 -12.234 1.00 0.00 H new ATOM 0 HA VAL A 31 13.956 25.707 -10.857 1.00 0.00 H new ATOM 0 HB VAL A 31 14.606 25.300 -13.431 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.739 25.970 -14.917 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.352 24.465 -14.049 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.638 26.007 -13.519 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.160 27.711 -13.821 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.055 27.732 -12.426 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.793 27.440 -12.180 1.00 0.00 H new ATOM 475 N VAL A 32 11.403 26.227 -10.659 1.00 0.00 N ATOM 476 CA VAL A 32 9.939 26.259 -10.413 1.00 0.00 C ATOM 477 C VAL A 32 9.432 27.671 -10.314 1.00 0.00 C ATOM 478 O VAL A 32 10.193 28.612 -10.257 1.00 0.00 O ATOM 479 CB VAL A 32 9.650 25.571 -9.104 1.00 0.00 C ATOM 480 CG1 VAL A 32 8.183 25.187 -9.058 1.00 0.00 C ATOM 481 CG2 VAL A 32 10.507 24.309 -8.978 1.00 0.00 C ATOM 0 H VAL A 32 11.941 27.000 -10.267 1.00 0.00 H new ATOM 0 HA VAL A 32 9.444 25.760 -11.246 1.00 0.00 H new ATOM 0 HB VAL A 32 9.884 26.247 -8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.967 24.688 -8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.569 26.084 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.957 24.512 -9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.293 23.817 -8.029 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.277 23.630 -9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.562 24.580 -9.016 1.00 0.00 H new ATOM 491 N THR A 33 8.145 27.779 -10.270 1.00 0.00 N ATOM 492 CA THR A 33 7.505 29.108 -10.172 1.00 0.00 C ATOM 493 C THR A 33 6.806 29.228 -8.849 1.00 0.00 C ATOM 494 O THR A 33 6.299 28.253 -8.330 1.00 0.00 O ATOM 495 CB THR A 33 6.476 29.230 -11.282 1.00 0.00 C ATOM 496 OG1 THR A 33 7.213 29.579 -12.435 1.00 0.00 O ATOM 497 CG2 THR A 33 5.546 30.428 -11.039 1.00 0.00 C ATOM 0 H THR A 33 7.498 26.991 -10.298 1.00 0.00 H new ATOM 0 HA THR A 33 8.258 29.891 -10.261 1.00 0.00 H new ATOM 0 HB THR A 33 5.898 28.309 -11.353 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.604 29.673 -13.197 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.818 30.494 -11.848 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.024 30.297 -10.091 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.135 31.345 -11.005 1.00 0.00 H new ATOM 505 N ALA A 34 6.783 30.405 -8.303 1.00 0.00 N ATOM 506 CA ALA A 34 6.110 30.551 -7.011 1.00 0.00 C ATOM 507 C ALA A 34 5.611 31.963 -6.796 1.00 0.00 C ATOM 508 O ALA A 34 5.856 32.843 -7.595 1.00 0.00 O ATOM 509 CB ALA A 34 7.114 30.206 -5.906 1.00 0.00 C ATOM 0 H ALA A 34 7.195 31.252 -8.693 1.00 0.00 H new ATOM 0 HA ALA A 34 5.249 29.883 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.633 30.308 -4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.458 29.180 -6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.965 30.884 -5.963 1.00 0.00 H new ATOM 515 N HIS A 35 4.909 32.147 -5.712 1.00 0.00 N ATOM 516 CA HIS A 35 4.371 33.489 -5.399 1.00 0.00 C ATOM 517 C HIS A 35 4.516 33.767 -3.910 1.00 0.00 C ATOM 518 O HIS A 35 4.366 32.876 -3.096 1.00 0.00 O ATOM 519 CB HIS A 35 2.877 33.508 -5.758 1.00 0.00 C ATOM 520 CG HIS A 35 2.347 32.073 -5.815 1.00 0.00 C ATOM 521 ND1 HIS A 35 2.616 31.069 -6.726 1.00 0.00 N flip ATOM 522 CD2 HIS A 35 1.540 31.576 -5.002 1.00 0.00 C flip ATOM 523 CE1 HIS A 35 1.909 29.958 -6.387 1.00 0.00 C flip ATOM 524 NE2 HIS A 35 1.265 30.374 -5.295 1.00 0.00 N flip ATOM 0 H HIS A 35 4.687 31.420 -5.031 1.00 0.00 H new ATOM 0 HA HIS A 35 4.916 34.245 -5.965 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.321 34.083 -5.017 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.729 34.000 -6.719 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.128 32.104 -4.155 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.877 28.994 -6.873 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.624 29.791 -4.757 1.00 0.00 H new ATOM 532 N ILE A 36 4.803 34.988 -3.571 1.00 0.00 N ATOM 533 CA ILE A 36 4.956 35.313 -2.134 1.00 0.00 C ATOM 534 C ILE A 36 3.597 35.589 -1.501 1.00 0.00 C ATOM 535 O ILE A 36 2.646 35.912 -2.184 1.00 0.00 O ATOM 536 CB ILE A 36 5.834 36.564 -2.010 1.00 0.00 C ATOM 537 CG1 ILE A 36 6.020 36.931 -0.544 1.00 0.00 C ATOM 538 CG2 ILE A 36 5.130 37.732 -2.720 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.885 38.193 -0.449 1.00 0.00 C ATOM 0 H ILE A 36 4.937 35.765 -4.218 1.00 0.00 H new ATOM 0 HA ILE A 36 5.415 34.469 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 36 6.807 36.366 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.052 37.102 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.494 36.109 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.743 38.629 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.985 37.484 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.162 37.911 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.022 38.462 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.856 38.003 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.392 39.012 -0.972 1.00 0.00 H new ATOM 551 N SER A 37 3.528 35.455 -0.204 1.00 0.00 N ATOM 552 CA SER A 37 2.241 35.702 0.486 1.00 0.00 C ATOM 553 C SER A 37 1.923 37.191 0.563 1.00 0.00 C ATOM 554 O SER A 37 2.632 38.017 0.021 1.00 0.00 O ATOM 555 CB SER A 37 2.340 35.145 1.913 1.00 0.00 C ATOM 556 OG SER A 37 2.082 33.756 1.763 1.00 0.00 O ATOM 0 H SER A 37 4.305 35.187 0.400 1.00 0.00 H new ATOM 0 HA SER A 37 1.447 35.212 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.326 35.323 2.343 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.614 35.616 2.576 1.00 0.00 H new ATOM 0 HG SER A 37 2.128 33.318 2.639 1.00 0.00 H new ATOM 562 N GLY A 38 0.853 37.500 1.243 1.00 0.00 N ATOM 563 CA GLY A 38 0.442 38.928 1.387 1.00 0.00 C ATOM 564 C GLY A 38 1.428 39.700 2.268 1.00 0.00 C ATOM 565 O GLY A 38 1.302 40.897 2.433 1.00 0.00 O ATOM 0 H GLY A 38 0.244 36.825 1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.386 39.394 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.556 38.980 1.821 1.00 0.00 H new ATOM 569 N LYS A 39 2.386 39.004 2.817 1.00 0.00 N ATOM 570 CA LYS A 39 3.377 39.692 3.687 1.00 0.00 C ATOM 571 C LYS A 39 3.824 41.010 3.067 1.00 0.00 C ATOM 572 O LYS A 39 4.205 41.928 3.766 1.00 0.00 O ATOM 573 CB LYS A 39 4.607 38.783 3.834 1.00 0.00 C ATOM 574 CG LYS A 39 4.344 37.751 4.932 1.00 0.00 C ATOM 575 CD LYS A 39 5.503 36.752 4.967 1.00 0.00 C ATOM 576 CE LYS A 39 6.764 37.465 5.458 1.00 0.00 C ATOM 577 NZ LYS A 39 7.446 38.154 4.326 1.00 0.00 N ATOM 0 H LYS A 39 2.524 38.000 2.702 1.00 0.00 H new ATOM 0 HA LYS A 39 2.916 39.896 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.817 38.281 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.486 39.378 4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.245 38.246 5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.405 37.231 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.261 35.919 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.670 36.334 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.503 38.190 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.442 36.744 5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.434 37.835 4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.958 37.926 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.422 39.182 4.481 1.00 0.00 H new ATOM 591 N MET A 40 3.771 41.083 1.768 1.00 0.00 N ATOM 592 CA MET A 40 4.187 42.330 1.095 1.00 0.00 C ATOM 593 C MET A 40 3.034 43.334 1.071 1.00 0.00 C ATOM 594 O MET A 40 3.238 44.525 1.200 1.00 0.00 O ATOM 595 CB MET A 40 4.596 41.982 -0.348 1.00 0.00 C ATOM 596 CG MET A 40 4.418 43.209 -1.235 1.00 0.00 C ATOM 597 SD MET A 40 5.430 43.308 -2.731 1.00 0.00 S ATOM 598 CE MET A 40 4.585 42.008 -3.665 1.00 0.00 C ATOM 0 H MET A 40 3.458 40.334 1.150 1.00 0.00 H new ATOM 0 HA MET A 40 5.022 42.778 1.634 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.634 41.649 -0.373 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.988 41.158 -0.721 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.371 43.260 -1.533 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.622 44.093 -0.631 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.056 41.897 -4.642 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.653 41.066 -3.121 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.537 42.277 -3.796 1.00 0.00 H new ATOM 608 N ARG A 41 1.839 42.829 0.915 1.00 0.00 N ATOM 609 CA ARG A 41 0.669 43.724 0.881 1.00 0.00 C ATOM 610 C ARG A 41 0.491 44.412 2.229 1.00 0.00 C ATOM 611 O ARG A 41 0.065 45.548 2.303 1.00 0.00 O ATOM 612 CB ARG A 41 -0.575 42.861 0.566 1.00 0.00 C ATOM 613 CG ARG A 41 -1.815 43.479 1.215 1.00 0.00 C ATOM 614 CD ARG A 41 -3.067 43.023 0.449 1.00 0.00 C ATOM 615 NE ARG A 41 -4.191 43.955 0.749 1.00 0.00 N ATOM 616 CZ ARG A 41 -5.206 44.016 -0.072 1.00 0.00 C ATOM 617 NH1 ARG A 41 -5.919 42.941 -0.273 1.00 0.00 N ATOM 618 NH2 ARG A 41 -5.472 45.147 -0.665 1.00 0.00 N ATOM 0 H ARG A 41 1.633 41.836 0.811 1.00 0.00 H new ATOM 0 HA ARG A 41 0.806 44.494 0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.715 42.790 -0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.428 41.846 0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.883 43.176 2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.743 44.567 1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.867 43.008 -0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.335 42.007 0.738 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.168 44.538 1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.680 42.073 0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.715 42.969 -0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.892 45.966 -0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.260 45.212 -1.309 1.00 0.00 H new ATOM 632 N LYS A 42 0.837 43.711 3.273 1.00 0.00 N ATOM 633 CA LYS A 42 0.700 44.296 4.621 1.00 0.00 C ATOM 634 C LYS A 42 1.891 45.190 4.942 1.00 0.00 C ATOM 635 O LYS A 42 1.729 46.319 5.361 1.00 0.00 O ATOM 636 CB LYS A 42 0.650 43.148 5.636 1.00 0.00 C ATOM 637 CG LYS A 42 -0.685 42.418 5.494 1.00 0.00 C ATOM 638 CD LYS A 42 -1.744 43.146 6.321 1.00 0.00 C ATOM 639 CE LYS A 42 -3.115 42.919 5.687 1.00 0.00 C ATOM 640 NZ LYS A 42 -3.409 41.462 5.597 1.00 0.00 N ATOM 0 H LYS A 42 1.207 42.761 3.244 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.208 44.898 4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.477 42.458 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.762 43.535 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.985 42.383 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.587 41.386 5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.738 42.778 7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.521 44.212 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.884 43.416 6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.141 43.364 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.425 41.323 5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.865 41.046 4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.143 40.998 6.489 1.00 0.00 H new ATOM 654 N ASN A 43 3.066 44.667 4.743 1.00 0.00 N ATOM 655 CA ASN A 43 4.280 45.467 5.030 1.00 0.00 C ATOM 656 C ASN A 43 4.454 46.555 3.994 1.00 0.00 C ATOM 657 O ASN A 43 5.178 47.510 4.204 1.00 0.00 O ATOM 658 CB ASN A 43 5.500 44.535 4.980 1.00 0.00 C ATOM 659 CG ASN A 43 5.429 43.544 6.143 1.00 0.00 C ATOM 660 OD1 ASN A 43 4.935 43.940 7.283 1.00 0.00 O flip ATOM 661 ND2 ASN A 43 5.824 42.400 6.025 1.00 0.00 N flip ATOM 0 H ASN A 43 3.236 43.723 4.395 1.00 0.00 H new ATOM 0 HA ASN A 43 4.183 45.928 6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.523 43.999 4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.419 45.117 5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.212 42.083 5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.768 41.757 6.815 1.00 0.00 H new ATOM 668 N TYR A 44 3.787 46.394 2.898 1.00 0.00 N ATOM 669 CA TYR A 44 3.889 47.397 1.828 1.00 0.00 C ATOM 670 C TYR A 44 5.339 47.727 1.525 1.00 0.00 C ATOM 671 O TYR A 44 5.631 48.670 0.822 1.00 0.00 O ATOM 672 CB TYR A 44 3.165 48.675 2.288 1.00 0.00 C ATOM 673 CG TYR A 44 2.632 49.438 1.070 1.00 0.00 C ATOM 674 CD1 TYR A 44 1.458 49.047 0.454 1.00 0.00 C ATOM 675 CD2 TYR A 44 3.308 50.539 0.581 1.00 0.00 C ATOM 676 CE1 TYR A 44 0.970 49.747 -0.632 1.00 0.00 C ATOM 677 CE2 TYR A 44 2.820 51.236 -0.505 1.00 0.00 C ATOM 678 CZ TYR A 44 1.648 50.847 -1.119 1.00 0.00 C ATOM 679 OH TYR A 44 1.160 51.552 -2.201 1.00 0.00 O ATOM 0 H TYR A 44 3.172 45.605 2.699 1.00 0.00 H new ATOM 0 HA TYR A 44 3.434 46.997 0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.343 48.418 2.956 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.849 49.308 2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.918 48.188 0.825 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.226 50.857 1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.051 49.432 -1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.360 52.094 -0.878 1.00 0.00 H new ATOM 0 HH TYR A 44 1.764 52.296 -2.406 1.00 0.00 H new ATOM 689 N ILE A 45 6.216 46.933 2.053 1.00 0.00 N ATOM 690 CA ILE A 45 7.660 47.166 1.821 1.00 0.00 C ATOM 691 C ILE A 45 8.451 45.867 1.996 1.00 0.00 C ATOM 692 O ILE A 45 9.081 45.661 3.014 1.00 0.00 O ATOM 693 CB ILE A 45 8.158 48.186 2.859 1.00 0.00 C ATOM 694 CG1 ILE A 45 7.406 49.505 2.710 1.00 0.00 C ATOM 695 CG2 ILE A 45 9.656 48.462 2.617 1.00 0.00 C ATOM 696 CD1 ILE A 45 8.045 50.557 3.624 1.00 0.00 C ATOM 0 H ILE A 45 5.995 46.128 2.639 1.00 0.00 H new ATOM 0 HA ILE A 45 7.805 47.534 0.805 1.00 0.00 H new ATOM 0 HB ILE A 45 7.992 47.778 3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.437 49.840 1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.356 49.370 2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.016 49.185 3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.218 47.533 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.794 48.863 1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.511 51.501 3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.991 50.221 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.089 50.698 3.343 1.00 0.00 H new ATOM 708 N ARG A 46 8.405 45.009 1.004 1.00 0.00 N ATOM 709 CA ARG A 46 9.157 43.729 1.122 1.00 0.00 C ATOM 710 C ARG A 46 9.498 43.153 -0.250 1.00 0.00 C ATOM 711 O ARG A 46 8.796 42.299 -0.754 1.00 0.00 O ATOM 712 CB ARG A 46 8.277 42.716 1.872 1.00 0.00 C ATOM 713 CG ARG A 46 9.089 41.442 2.134 1.00 0.00 C ATOM 714 CD ARG A 46 10.012 41.669 3.336 1.00 0.00 C ATOM 715 NE ARG A 46 10.611 40.365 3.746 1.00 0.00 N ATOM 716 CZ ARG A 46 11.160 39.596 2.843 1.00 0.00 C ATOM 717 NH1 ARG A 46 10.386 38.944 2.020 1.00 0.00 N ATOM 718 NH2 ARG A 46 12.462 39.502 2.795 1.00 0.00 N ATOM 0 H ARG A 46 7.888 45.140 0.135 1.00 0.00 H new ATOM 0 HA ARG A 46 10.088 43.922 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.932 43.142 2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.389 42.482 1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.420 40.604 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.677 41.184 1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.798 42.379 3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.451 42.102 4.164 1.00 0.00 H new ATOM 0 HE ARG A 46 10.592 40.076 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.373 39.040 2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.794 38.338 1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.036 40.025 3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.905 38.906 2.096 1.00 0.00 H new ATOM 732 N ILE A 47 10.574 43.641 -0.829 1.00 0.00 N ATOM 733 CA ILE A 47 10.988 43.142 -2.161 1.00 0.00 C ATOM 734 C ILE A 47 12.501 42.881 -2.211 1.00 0.00 C ATOM 735 O ILE A 47 13.298 43.797 -2.249 1.00 0.00 O ATOM 736 CB ILE A 47 10.604 44.206 -3.189 1.00 0.00 C ATOM 737 CG1 ILE A 47 10.882 43.702 -4.601 1.00 0.00 C ATOM 738 CG2 ILE A 47 11.439 45.475 -2.944 1.00 0.00 C ATOM 739 CD1 ILE A 47 9.833 42.651 -4.983 1.00 0.00 C ATOM 0 H ILE A 47 11.175 44.362 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 47 10.490 42.196 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 47 9.541 44.426 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.855 44.532 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 47 11.881 43.270 -4.655 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.168 46.236 -3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.243 45.851 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.498 45.238 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.031 42.290 -5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.882 41.817 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.840 43.098 -4.946 1.00 0.00 H new ATOM 751 N LEU A 48 12.865 41.622 -2.191 1.00 0.00 N ATOM 752 CA LEU A 48 14.309 41.265 -2.237 1.00 0.00 C ATOM 753 C LEU A 48 14.529 40.052 -3.131 1.00 0.00 C ATOM 754 O LEU A 48 13.973 38.997 -2.895 1.00 0.00 O ATOM 755 CB LEU A 48 14.763 40.910 -0.810 1.00 0.00 C ATOM 756 CG LEU A 48 15.603 42.055 -0.237 1.00 0.00 C ATOM 757 CD1 LEU A 48 15.394 42.113 1.274 1.00 0.00 C ATOM 758 CD2 LEU A 48 17.083 41.795 -0.530 1.00 0.00 C ATOM 0 H LEU A 48 12.223 40.831 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 48 14.877 42.107 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.895 40.730 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.346 39.989 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 48 15.301 42.998 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.988 42.925 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.340 42.286 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.705 41.169 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.683 42.609 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.386 40.855 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.236 41.736 -1.608 1.00 0.00 H new ATOM 770 N THR A 49 15.337 40.219 -4.141 1.00 0.00 N ATOM 771 CA THR A 49 15.600 39.083 -5.057 1.00 0.00 C ATOM 772 C THR A 49 16.559 38.093 -4.447 1.00 0.00 C ATOM 773 O THR A 49 17.515 38.436 -3.781 1.00 0.00 O ATOM 774 CB THR A 49 16.193 39.620 -6.352 1.00 0.00 C ATOM 775 OG1 THR A 49 15.234 40.526 -6.854 1.00 0.00 O ATOM 776 CG2 THR A 49 16.273 38.514 -7.412 1.00 0.00 C ATOM 0 H THR A 49 15.822 41.087 -4.368 1.00 0.00 H new ATOM 0 HA THR A 49 14.658 38.570 -5.248 1.00 0.00 H new ATOM 0 HB THR A 49 17.181 40.040 -6.162 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.558 40.913 -7.694 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.700 38.919 -8.329 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.904 37.704 -7.046 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.273 38.132 -7.615 1.00 0.00 H new ATOM 784 N GLY A 50 16.255 36.892 -4.704 1.00 0.00 N ATOM 785 CA GLY A 50 17.041 35.758 -4.213 1.00 0.00 C ATOM 786 C GLY A 50 16.754 35.571 -2.762 1.00 0.00 C ATOM 787 O GLY A 50 17.520 35.957 -1.900 1.00 0.00 O ATOM 0 H GLY A 50 15.448 36.624 -5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.788 34.854 -4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.105 35.940 -4.368 1.00 0.00 H new ATOM 791 N ASP A 51 15.642 34.967 -2.534 1.00 0.00 N ATOM 792 CA ASP A 51 15.210 34.692 -1.178 1.00 0.00 C ATOM 793 C ASP A 51 15.337 33.227 -0.955 1.00 0.00 C ATOM 794 O ASP A 51 14.685 32.472 -1.659 1.00 0.00 O ATOM 795 CB ASP A 51 13.735 35.101 -1.035 1.00 0.00 C ATOM 796 CG ASP A 51 13.652 36.598 -0.721 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.353 37.000 0.194 1.00 0.00 O ATOM 798 OD2 ASP A 51 12.889 37.253 -1.412 1.00 0.00 O ATOM 0 H ASP A 51 15.002 34.646 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 51 15.811 35.244 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.194 34.880 -1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.261 34.524 -0.240 1.00 0.00 H new ATOM 803 N LYS A 52 16.128 32.787 -0.035 1.00 0.00 N ATOM 804 CA LYS A 52 16.175 31.338 0.105 1.00 0.00 C ATOM 805 C LYS A 52 14.888 30.990 0.801 1.00 0.00 C ATOM 806 O LYS A 52 14.717 31.332 1.942 1.00 0.00 O ATOM 807 CB LYS A 52 17.384 30.937 0.974 1.00 0.00 C ATOM 808 CG LYS A 52 18.043 29.685 0.384 1.00 0.00 C ATOM 809 CD LYS A 52 19.394 29.461 1.069 1.00 0.00 C ATOM 810 CE LYS A 52 19.880 28.041 0.771 1.00 0.00 C ATOM 811 NZ LYS A 52 21.323 27.904 1.113 1.00 0.00 N ATOM 0 H LYS A 52 16.713 33.339 0.592 1.00 0.00 H new ATOM 0 HA LYS A 52 16.282 30.822 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.103 31.755 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.062 30.744 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.399 28.817 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.181 29.804 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.122 30.190 0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.298 29.607 2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.294 27.322 1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.726 27.811 -0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.639 26.935 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.879 28.578 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.461 28.104 2.124 1.00 0.00 H new ATOM 825 N VAL A 53 13.994 30.313 0.123 1.00 0.00 N ATOM 826 CA VAL A 53 12.696 29.970 0.800 1.00 0.00 C ATOM 827 C VAL A 53 12.268 28.546 0.653 1.00 0.00 C ATOM 828 O VAL A 53 12.942 27.736 0.049 1.00 0.00 O ATOM 829 CB VAL A 53 11.610 30.819 0.143 1.00 0.00 C ATOM 830 CG1 VAL A 53 11.940 32.305 0.314 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.561 30.460 -1.352 1.00 0.00 C ATOM 0 H VAL A 53 14.096 29.990 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 53 12.842 30.154 1.864 1.00 0.00 H new ATOM 0 HB VAL A 53 10.643 30.624 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.162 32.907 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.993 32.546 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.900 32.521 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.791 31.055 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.528 30.670 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.329 29.401 -1.464 1.00 0.00 H new ATOM 841 N ARG A 54 11.106 28.269 1.231 1.00 0.00 N ATOM 842 CA ARG A 54 10.565 26.898 1.156 1.00 0.00 C ATOM 843 C ARG A 54 9.479 26.851 0.100 1.00 0.00 C ATOM 844 O ARG A 54 8.511 27.583 0.175 1.00 0.00 O ATOM 845 CB ARG A 54 9.968 26.524 2.518 1.00 0.00 C ATOM 846 CG ARG A 54 10.939 25.586 3.236 1.00 0.00 C ATOM 847 CD ARG A 54 12.164 26.386 3.690 1.00 0.00 C ATOM 848 NE ARG A 54 13.229 25.435 4.118 1.00 0.00 N ATOM 849 CZ ARG A 54 14.300 25.893 4.711 1.00 0.00 C ATOM 850 NH1 ARG A 54 15.081 26.714 4.062 1.00 0.00 N ATOM 851 NH2 ARG A 54 14.558 25.505 5.928 1.00 0.00 N ATOM 0 H ARG A 54 10.531 28.940 1.741 1.00 0.00 H new ATOM 0 HA ARG A 54 11.358 26.197 0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.797 27.420 3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.001 26.039 2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.451 25.125 4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.243 24.778 2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.525 27.016 2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.898 27.049 4.513 1.00 0.00 H new ATOM 0 HE ARG A 54 13.123 24.435 3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.851 26.989 3.107 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.921 27.081 4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.929 24.855 6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.389 25.851 6.408 1.00 0.00 H new ATOM 865 N VAL A 55 9.654 25.991 -0.866 1.00 0.00 N ATOM 866 CA VAL A 55 8.645 25.888 -1.938 1.00 0.00 C ATOM 867 C VAL A 55 7.734 24.682 -1.768 1.00 0.00 C ATOM 868 O VAL A 55 8.192 23.580 -1.532 1.00 0.00 O ATOM 869 CB VAL A 55 9.393 25.732 -3.272 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.439 26.040 -4.424 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.569 26.708 -3.313 1.00 0.00 C ATOM 0 H VAL A 55 10.451 25.361 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 55 8.025 26.784 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 55 9.764 24.711 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.966 25.930 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.597 25.348 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.072 27.062 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.100 26.598 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.198 27.729 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.249 26.494 -2.488 1.00 0.00 H new ATOM 881 N GLU A 56 6.450 24.924 -1.897 1.00 0.00 N ATOM 882 CA GLU A 56 5.470 23.834 -1.759 1.00 0.00 C ATOM 883 C GLU A 56 4.913 23.555 -3.125 1.00 0.00 C ATOM 884 O GLU A 56 4.238 24.386 -3.699 1.00 0.00 O ATOM 885 CB GLU A 56 4.329 24.292 -0.837 1.00 0.00 C ATOM 886 CG GLU A 56 4.898 24.651 0.534 1.00 0.00 C ATOM 887 CD GLU A 56 3.754 24.745 1.546 1.00 0.00 C ATOM 888 OE1 GLU A 56 2.815 25.459 1.234 1.00 0.00 O ATOM 889 OE2 GLU A 56 3.882 24.098 2.572 1.00 0.00 O ATOM 0 H GLU A 56 6.050 25.842 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 56 5.937 22.944 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.821 25.154 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.586 23.501 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.618 23.897 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.432 25.600 0.482 1.00 0.00 H new ATOM 896 N LEU A 57 5.186 22.398 -3.626 1.00 0.00 N ATOM 897 CA LEU A 57 4.680 22.060 -4.961 1.00 0.00 C ATOM 898 C LEU A 57 3.362 21.334 -4.862 1.00 0.00 C ATOM 899 O LEU A 57 3.113 20.618 -3.904 1.00 0.00 O ATOM 900 CB LEU A 57 5.708 21.152 -5.648 1.00 0.00 C ATOM 901 CG LEU A 57 7.117 21.653 -5.323 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.138 20.590 -5.728 1.00 0.00 C ATOM 903 CD2 LEU A 57 7.385 22.933 -6.107 1.00 0.00 C ATOM 0 H LEU A 57 5.738 21.673 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 57 4.527 22.975 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.587 20.123 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.548 21.152 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 57 7.200 21.851 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.143 20.944 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.943 19.670 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.058 20.397 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.388 23.296 -5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.306 22.729 -7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.653 23.691 -5.827 1.00 0.00 H new ATOM 915 N THR A 58 2.536 21.530 -5.862 1.00 0.00 N ATOM 916 CA THR A 58 1.209 20.865 -5.867 1.00 0.00 C ATOM 917 C THR A 58 1.129 19.777 -6.952 1.00 0.00 C ATOM 918 O THR A 58 1.751 19.888 -7.990 1.00 0.00 O ATOM 919 CB THR A 58 0.174 21.947 -6.161 1.00 0.00 C ATOM 920 OG1 THR A 58 0.334 22.253 -7.534 1.00 0.00 O ATOM 921 CG2 THR A 58 0.546 23.251 -5.422 1.00 0.00 C ATOM 0 H THR A 58 2.729 22.122 -6.670 1.00 0.00 H new ATOM 0 HA THR A 58 1.033 20.382 -4.906 1.00 0.00 H new ATOM 0 HB THR A 58 -0.821 21.608 -5.873 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.492 22.651 -7.879 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.199 24.017 -5.638 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.574 23.065 -4.348 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.525 23.592 -5.757 1.00 0.00 H new ATOM 929 N PRO A 59 0.351 18.731 -6.681 1.00 0.00 N ATOM 930 CA PRO A 59 0.188 17.627 -7.630 1.00 0.00 C ATOM 931 C PRO A 59 -0.458 18.091 -8.932 1.00 0.00 C ATOM 932 O PRO A 59 -0.337 17.441 -9.952 1.00 0.00 O ATOM 933 CB PRO A 59 -0.761 16.634 -6.923 1.00 0.00 C ATOM 934 CG PRO A 59 -1.238 17.309 -5.602 1.00 0.00 C ATOM 935 CD PRO A 59 -0.410 18.592 -5.427 1.00 0.00 C ATOM 0 HA PRO A 59 1.153 17.195 -7.893 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.612 16.395 -7.561 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.248 15.696 -6.712 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.302 17.541 -5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.095 16.640 -4.754 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.053 19.456 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.256 18.517 -4.568 1.00 0.00 H new ATOM 943 N TYR A 60 -1.131 19.205 -8.874 1.00 0.00 N ATOM 944 CA TYR A 60 -1.788 19.723 -10.100 1.00 0.00 C ATOM 945 C TYR A 60 -0.758 20.247 -11.090 1.00 0.00 C ATOM 946 O TYR A 60 -1.005 20.298 -12.278 1.00 0.00 O ATOM 947 CB TYR A 60 -2.720 20.876 -9.700 1.00 0.00 C ATOM 948 CG TYR A 60 -3.846 20.996 -10.730 1.00 0.00 C ATOM 949 CD1 TYR A 60 -4.689 19.930 -10.976 1.00 0.00 C ATOM 950 CD2 TYR A 60 -4.034 22.172 -11.426 1.00 0.00 C ATOM 951 CE1 TYR A 60 -5.702 20.040 -11.907 1.00 0.00 C ATOM 952 CE2 TYR A 60 -5.047 22.281 -12.356 1.00 0.00 C ATOM 953 CZ TYR A 60 -5.890 21.217 -12.603 1.00 0.00 C ATOM 954 OH TYR A 60 -6.905 21.328 -13.533 1.00 0.00 O ATOM 0 H TYR A 60 -1.253 19.774 -8.036 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.344 18.913 -10.573 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.136 20.696 -8.709 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.160 21.810 -9.646 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.555 19.004 -10.436 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.383 23.014 -11.241 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.353 19.198 -12.092 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.181 23.207 -12.895 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.892 22.226 -13.926 1.00 0.00 H new ATOM 964 N ASP A 61 0.380 20.628 -10.583 1.00 0.00 N ATOM 965 CA ASP A 61 1.434 21.150 -11.482 1.00 0.00 C ATOM 966 C ASP A 61 2.694 21.482 -10.698 1.00 0.00 C ATOM 967 O ASP A 61 2.994 22.633 -10.455 1.00 0.00 O ATOM 968 CB ASP A 61 0.912 22.430 -12.148 1.00 0.00 C ATOM 969 CG ASP A 61 -0.001 23.179 -11.171 1.00 0.00 C ATOM 970 OD1 ASP A 61 0.143 22.921 -9.986 1.00 0.00 O ATOM 971 OD2 ASP A 61 -0.790 23.967 -11.665 1.00 0.00 O ATOM 0 H ASP A 61 0.621 20.600 -9.592 1.00 0.00 H new ATOM 0 HA ASP A 61 1.676 20.392 -12.227 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.747 23.066 -12.442 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.364 22.182 -13.057 1.00 0.00 H new ATOM 976 N LEU A 62 3.408 20.461 -10.315 1.00 0.00 N ATOM 977 CA LEU A 62 4.654 20.682 -9.545 1.00 0.00 C ATOM 978 C LEU A 62 5.457 21.864 -10.095 1.00 0.00 C ATOM 979 O LEU A 62 6.060 22.601 -9.343 1.00 0.00 O ATOM 980 CB LEU A 62 5.506 19.412 -9.635 1.00 0.00 C ATOM 981 CG LEU A 62 4.656 18.208 -9.206 1.00 0.00 C ATOM 982 CD1 LEU A 62 3.792 17.735 -10.386 1.00 0.00 C ATOM 983 CD2 LEU A 62 5.580 17.070 -8.770 1.00 0.00 C ATOM 0 H LEU A 62 3.179 19.485 -10.504 1.00 0.00 H new ATOM 0 HA LEU A 62 4.390 20.909 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.868 19.273 -10.654 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.383 19.501 -8.994 1.00 0.00 H new ATOM 0 HG LEU A 62 4.009 18.498 -8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.190 16.880 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.135 18.545 -10.704 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.437 17.444 -11.215 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.981 16.212 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.224 16.785 -9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.194 17.401 -7.933 1.00 0.00 H new ATOM 995 N SER A 63 5.450 22.029 -11.391 1.00 0.00 N ATOM 996 CA SER A 63 6.215 23.163 -11.974 1.00 0.00 C ATOM 997 C SER A 63 5.767 24.457 -11.332 1.00 0.00 C ATOM 998 O SER A 63 6.310 25.511 -11.602 1.00 0.00 O ATOM 999 CB SER A 63 5.918 23.226 -13.482 1.00 0.00 C ATOM 1000 OG SER A 63 6.878 24.139 -13.989 1.00 0.00 O ATOM 0 H SER A 63 4.956 21.438 -12.059 1.00 0.00 H new ATOM 0 HA SER A 63 7.282 23.021 -11.800 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.016 22.246 -13.948 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.902 23.570 -13.674 1.00 0.00 H new ATOM 0 HG SER A 63 6.920 24.926 -13.407 1.00 0.00 H new ATOM 1006 N LYS A 64 4.771 24.346 -10.491 1.00 0.00 N ATOM 1007 CA LYS A 64 4.249 25.541 -9.799 1.00 0.00 C ATOM 1008 C LYS A 64 4.044 25.240 -8.319 1.00 0.00 C ATOM 1009 O LYS A 64 3.680 24.129 -7.935 1.00 0.00 O ATOM 1010 CB LYS A 64 2.903 25.928 -10.432 1.00 0.00 C ATOM 1011 CG LYS A 64 3.004 25.771 -11.952 1.00 0.00 C ATOM 1012 CD LYS A 64 1.630 26.022 -12.575 1.00 0.00 C ATOM 1013 CE LYS A 64 1.803 26.365 -14.058 1.00 0.00 C ATOM 1014 NZ LYS A 64 2.851 27.408 -14.234 1.00 0.00 N ATOM 0 H LYS A 64 4.301 23.471 -10.259 1.00 0.00 H new ATOM 0 HA LYS A 64 4.961 26.360 -9.897 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.107 25.295 -10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.648 26.956 -10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.733 26.474 -12.355 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.354 24.770 -12.204 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.001 25.139 -12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.127 26.838 -12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.077 25.469 -14.615 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.857 26.719 -14.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.642 27.970 -15.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.864 28.031 -13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.780 26.952 -14.340 1.00 0.00 H new ATOM 1028 N GLY A 65 4.277 26.230 -7.519 1.00 0.00 N ATOM 1029 CA GLY A 65 4.116 26.058 -6.058 1.00 0.00 C ATOM 1030 C GLY A 65 4.108 27.425 -5.416 1.00 0.00 C ATOM 1031 O GLY A 65 3.977 28.396 -6.094 1.00 0.00 O ATOM 0 H GLY A 65 4.575 27.159 -7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.188 25.530 -5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.929 25.454 -5.655 1.00 0.00 H new ATOM 1035 N ARG A 66 4.159 27.465 -4.123 1.00 0.00 N ATOM 1036 CA ARG A 66 4.160 28.790 -3.432 1.00 0.00 C ATOM 1037 C ARG A 66 5.338 28.874 -2.464 1.00 0.00 C ATOM 1038 O ARG A 66 5.953 27.873 -2.155 1.00 0.00 O ATOM 1039 CB ARG A 66 2.854 28.928 -2.644 1.00 0.00 C ATOM 1040 CG ARG A 66 2.721 27.748 -1.689 1.00 0.00 C ATOM 1041 CD ARG A 66 1.341 27.785 -1.043 1.00 0.00 C ATOM 1042 NE ARG A 66 0.498 26.718 -1.648 1.00 0.00 N ATOM 1043 CZ ARG A 66 0.785 25.468 -1.413 1.00 0.00 C ATOM 1044 NH1 ARG A 66 0.911 25.075 -0.176 1.00 0.00 N ATOM 1045 NH2 ARG A 66 0.936 24.654 -2.421 1.00 0.00 N ATOM 0 H ARG A 66 4.200 26.650 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 66 4.248 29.588 -4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.848 29.865 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.004 28.957 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.859 26.810 -2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.496 27.794 -0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.424 27.635 0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.880 28.761 -1.194 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.296 26.962 -2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.785 25.741 0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.135 24.101 0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.829 24.999 -3.375 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.161 23.673 -2.255 1.00 0.00 H new ATOM 1059 N ILE A 67 5.628 30.067 -2.001 1.00 0.00 N ATOM 1060 CA ILE A 67 6.765 30.234 -1.051 1.00 0.00 C ATOM 1061 C ILE A 67 6.247 30.424 0.361 1.00 0.00 C ATOM 1062 O ILE A 67 5.254 31.091 0.568 1.00 0.00 O ATOM 1063 CB ILE A 67 7.540 31.476 -1.470 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.349 31.164 -2.721 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.506 31.874 -0.335 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.821 32.474 -3.371 1.00 0.00 C ATOM 0 H ILE A 67 5.129 30.924 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 67 7.401 29.349 -1.071 1.00 0.00 H new ATOM 0 HB ILE A 67 6.846 32.292 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.208 30.543 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.743 30.595 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.065 32.763 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.937 32.085 0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.200 31.056 -0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.400 32.248 -4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.955 33.078 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.443 33.026 -2.667 1.00 0.00 H new ATOM 1078 N THR A 68 6.928 29.844 1.330 1.00 0.00 N ATOM 1079 CA THR A 68 6.458 30.005 2.675 1.00 0.00 C ATOM 1080 C THR A 68 7.544 29.689 3.679 1.00 0.00 C ATOM 1081 O THR A 68 7.712 28.568 4.105 1.00 0.00 O ATOM 1082 CB THR A 68 5.280 29.051 2.892 1.00 0.00 C ATOM 1083 OG1 THR A 68 5.247 28.806 4.282 1.00 0.00 O ATOM 1084 CG2 THR A 68 5.559 27.678 2.262 1.00 0.00 C ATOM 0 H THR A 68 7.771 29.282 1.213 1.00 0.00 H new ATOM 0 HA THR A 68 6.154 31.042 2.820 1.00 0.00 H new ATOM 0 HB THR A 68 4.374 29.485 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.955 28.171 4.519 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.706 27.020 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.720 27.795 1.190 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.449 27.243 2.717 1.00 0.00 H new ATOM 1092 N TYR A 69 8.263 30.721 3.955 1.00 0.00 N ATOM 1093 CA TYR A 69 9.420 30.719 4.939 1.00 0.00 C ATOM 1094 C TYR A 69 10.718 31.033 4.236 1.00 0.00 C ATOM 1095 O TYR A 69 11.320 30.177 3.628 1.00 0.00 O ATOM 1096 CB TYR A 69 9.548 29.373 5.686 1.00 0.00 C ATOM 1097 CG TYR A 69 10.519 29.553 6.862 1.00 0.00 C ATOM 1098 CD1 TYR A 69 11.883 29.447 6.679 1.00 0.00 C ATOM 1099 CD2 TYR A 69 10.034 29.828 8.128 1.00 0.00 C ATOM 1100 CE1 TYR A 69 12.748 29.613 7.745 1.00 0.00 C ATOM 1101 CE2 TYR A 69 10.899 29.994 9.191 1.00 0.00 C ATOM 1102 CZ TYR A 69 12.263 29.887 9.007 1.00 0.00 C ATOM 1103 OH TYR A 69 13.129 30.045 10.073 1.00 0.00 O ATOM 0 H TYR A 69 8.104 31.632 3.524 1.00 0.00 H new ATOM 0 HA TYR A 69 9.208 31.493 5.676 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.573 29.047 6.048 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.912 28.599 5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 69 12.277 29.233 5.697 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.969 29.914 8.286 1.00 0.00 H new ATOM 0 HE1 TYR A 69 13.813 29.527 7.588 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.506 30.209 10.174 1.00 0.00 H new ATOM 0 HH TYR A 69 12.616 30.234 10.886 1.00 0.00 H new ATOM 1113 N ARG A 70 11.131 32.281 4.345 1.00 0.00 N ATOM 1114 CA ARG A 70 12.383 32.708 3.701 1.00 0.00 C ATOM 1115 C ARG A 70 13.558 32.569 4.644 1.00 0.00 C ATOM 1116 O ARG A 70 13.408 32.648 5.847 1.00 0.00 O ATOM 1117 CB ARG A 70 12.248 34.184 3.296 1.00 0.00 C ATOM 1118 CG ARG A 70 12.378 35.064 4.539 1.00 0.00 C ATOM 1119 CD ARG A 70 12.148 36.520 4.144 1.00 0.00 C ATOM 1120 NE ARG A 70 12.631 37.397 5.243 1.00 0.00 N ATOM 1121 CZ ARG A 70 11.980 37.424 6.368 1.00 0.00 C ATOM 1122 NH1 ARG A 70 10.684 37.582 6.342 1.00 0.00 N ATOM 1123 NH2 ARG A 70 12.641 37.288 7.481 1.00 0.00 N ATOM 0 H ARG A 70 10.639 33.012 4.859 1.00 0.00 H new ATOM 0 HA ARG A 70 12.560 32.076 2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.017 34.445 2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.285 34.354 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.652 34.760 5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.367 34.946 4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.677 36.748 3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.089 36.698 3.957 1.00 0.00 H new ATOM 0 HE ARG A 70 13.464 37.971 5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.200 37.682 5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.156 37.606 7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.653 37.163 7.461 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.147 37.307 8.373 1.00 0.00 H new ATOM 1137 N ALA A 71 14.704 32.363 4.074 1.00 0.00 N ATOM 1138 CA ALA A 71 15.913 32.213 4.885 1.00 0.00 C ATOM 1139 C ALA A 71 17.104 32.866 4.191 1.00 0.00 C ATOM 1140 O ALA A 71 17.109 33.029 2.976 1.00 0.00 O ATOM 1141 CB ALA A 71 16.184 30.718 5.069 1.00 0.00 C ATOM 0 H ALA A 71 14.847 32.293 3.067 1.00 0.00 H new ATOM 0 HA ALA A 71 15.770 32.698 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.082 30.582 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.336 30.254 5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.327 30.252 4.094 1.00 0.00 H new ATOM 1147 N ARG A 72 18.083 33.237 4.974 1.00 0.00 N ATOM 1148 CA ARG A 72 19.288 33.884 4.392 1.00 0.00 C ATOM 1149 C ARG A 72 19.698 33.197 3.095 1.00 0.00 C ATOM 1150 O ARG A 72 19.880 31.992 3.156 1.00 0.00 O ATOM 1151 CB ARG A 72 20.448 33.761 5.402 1.00 0.00 C ATOM 1152 CG ARG A 72 19.882 33.665 6.828 1.00 0.00 C ATOM 1153 CD ARG A 72 18.986 34.876 7.104 1.00 0.00 C ATOM 1154 NE ARG A 72 18.817 35.030 8.578 1.00 0.00 N ATOM 1155 CZ ARG A 72 17.730 34.586 9.148 1.00 0.00 C ATOM 1156 NH1 ARG A 72 16.946 33.790 8.473 1.00 0.00 N ATOM 1157 NH2 ARG A 72 17.459 34.953 10.372 1.00 0.00 N ATOM 1158 OXT ARG A 72 19.808 33.912 2.113 1.00 0.00 O ATOM 0 H ARG A 72 18.097 33.119 5.987 1.00 0.00 H new ATOM 0 HA ARG A 72 19.061 34.929 4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 72 21.047 32.878 5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.109 34.624 5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.312 32.743 6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 72 20.696 33.629 7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.430 35.777 6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 72 18.016 34.743 6.626 1.00 0.00 H new ATOM 0 HE ARG A 72 19.544 35.478 9.135 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.188 33.526 7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.092 33.432 8.901 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.093 35.578 10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.613 34.614 10.831 1.00 0.00 H new