USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 376 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 327 CYS SG : rot -141:sc= -0.051 USER MOD Set 1.2: A 330 CYS SG : rot -110:sc= -0.564 USER MOD Set 1.3: A 353 CYS SG : rot -119:sc= -0.996 USER MOD Set 1.4: A 356 CYS SG : rot 61:sc= -2.08! USER MOD Set 2.1: A 312 CYS SG : rot -137:sc= -1.4 USER MOD Set 2.2: A 315 CYS SG : rot 129:sc= 0.617 USER MOD Set 2.3: A 335 HIS : no HD1:sc= -8.09! C(o=-12!,f=-13!) USER MOD Set 2.4: A 338 CYS SG : rot -142:sc= -2.71! USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 319 ASN : amide:sc= -0.0685 X(o=-0.069,f=0) USER MOD Single : A 333 SER OG : rot -170:sc= -2.78! USER MOD Single : A 334 TYR OH : rot -109:sc= -0.257 USER MOD Single : A 336 THR OG1 : rot 127:sc= 0.632 USER MOD Single : A 344 HIS : no HD1:sc= -0.0779 X(o=-0.078,f=-0.43) USER MOD Single : A 348 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 LYS NZ :NH3+ -122:sc= -0.868 (180deg=-2.58!) USER MOD Single : A 359 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 309 3.751 13.215 3.294 1.00 0.00 N ATOM 42 CA LEU A 309 4.945 12.853 2.479 1.00 0.00 C ATOM 43 C LEU A 309 4.606 11.661 1.581 1.00 0.00 C ATOM 44 O LEU A 309 5.066 11.569 0.460 1.00 0.00 O ATOM 45 CB LEU A 309 6.101 12.477 3.409 1.00 0.00 C ATOM 46 CG LEU A 309 6.395 13.638 4.361 1.00 0.00 C ATOM 47 CD1 LEU A 309 7.601 13.290 5.233 1.00 0.00 C ATOM 48 CD2 LEU A 309 6.702 14.899 3.550 1.00 0.00 C ATOM 0 HA LEU A 309 5.236 13.703 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 309 5.847 11.583 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 309 6.989 12.240 2.823 1.00 0.00 H new ATOM 0 HG LEU A 309 5.526 13.815 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 309 7.810 14.117 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 309 7.385 12.392 5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 309 8.469 13.112 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 309 6.911 15.726 4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 309 7.570 14.721 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 309 5.843 15.149 2.927 1.00 0.00 H new ATOM 60 N TYR A 310 3.804 10.752 2.066 1.00 0.00 N ATOM 61 CA TYR A 310 3.427 9.565 1.248 1.00 0.00 C ATOM 62 C TYR A 310 1.931 9.604 0.937 1.00 0.00 C ATOM 63 O TYR A 310 1.109 9.798 1.811 1.00 0.00 O ATOM 64 CB TYR A 310 3.749 8.284 2.020 1.00 0.00 C ATOM 65 CG TYR A 310 5.185 7.891 1.773 1.00 0.00 C ATOM 66 CD1 TYR A 310 5.500 7.049 0.700 1.00 0.00 C ATOM 67 CD2 TYR A 310 6.199 8.363 2.614 1.00 0.00 C ATOM 68 CE1 TYR A 310 6.829 6.679 0.466 1.00 0.00 C ATOM 69 CE2 TYR A 310 7.530 7.993 2.381 1.00 0.00 C ATOM 70 CZ TYR A 310 7.845 7.150 1.307 1.00 0.00 C ATOM 71 OH TYR A 310 9.155 6.785 1.078 1.00 0.00 O ATOM 0 H TYR A 310 3.392 10.781 2.999 1.00 0.00 H new ATOM 0 HA TYR A 310 3.992 9.582 0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 310 3.582 8.438 3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 310 3.082 7.481 1.706 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.716 6.685 0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 310 5.956 9.012 3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 310 7.071 6.030 -0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 310 8.313 8.358 3.029 1.00 0.00 H new ATOM 0 HH TYR A 310 9.733 7.200 1.752 1.00 0.00 H new ATOM 81 N VAL A 311 1.575 9.413 -0.303 1.00 0.00 N ATOM 82 CA VAL A 311 0.136 9.427 -0.685 1.00 0.00 C ATOM 83 C VAL A 311 -0.164 8.185 -1.525 1.00 0.00 C ATOM 84 O VAL A 311 0.727 7.567 -2.072 1.00 0.00 O ATOM 85 CB VAL A 311 -0.168 10.686 -1.498 1.00 0.00 C ATOM 86 CG1 VAL A 311 0.296 11.920 -0.722 1.00 0.00 C ATOM 87 CG2 VAL A 311 0.571 10.620 -2.837 1.00 0.00 C ATOM 0 H VAL A 311 2.224 9.247 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 311 -0.485 9.425 0.211 1.00 0.00 H new ATOM 0 HB VAL A 311 -1.241 10.751 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 311 0.079 12.817 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -0.229 11.969 0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 311 1.369 11.855 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 311 0.354 11.517 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 311 1.644 10.554 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 311 0.241 9.741 -3.392 1.00 0.00 H new ATOM 97 N CYS A 312 -1.407 7.811 -1.631 1.00 0.00 N ATOM 98 CA CYS A 312 -1.751 6.605 -2.433 1.00 0.00 C ATOM 99 C CYS A 312 -1.781 6.974 -3.917 1.00 0.00 C ATOM 100 O CYS A 312 -2.539 7.821 -4.341 1.00 0.00 O ATOM 101 CB CYS A 312 -3.127 6.092 -2.010 1.00 0.00 C ATOM 102 SG CYS A 312 -3.647 4.766 -3.123 1.00 0.00 S ATOM 0 H CYS A 312 -2.199 8.287 -1.198 1.00 0.00 H new ATOM 0 HA CYS A 312 -1.004 5.829 -2.265 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -3.090 5.726 -0.984 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -3.852 6.905 -2.033 1.00 0.00 H new ATOM 0 HG CYS A 312 -4.899 4.926 -3.434 1.00 0.00 H new ATOM 107 N LEU A 313 -0.960 6.347 -4.711 1.00 0.00 N ATOM 108 CA LEU A 313 -0.946 6.668 -6.163 1.00 0.00 C ATOM 109 C LEU A 313 -2.313 6.351 -6.772 1.00 0.00 C ATOM 110 O LEU A 313 -2.791 7.046 -7.648 1.00 0.00 O ATOM 111 CB LEU A 313 0.128 5.826 -6.851 1.00 0.00 C ATOM 112 CG LEU A 313 1.483 6.074 -6.183 1.00 0.00 C ATOM 113 CD1 LEU A 313 2.570 5.302 -6.935 1.00 0.00 C ATOM 114 CD2 LEU A 313 1.806 7.568 -6.219 1.00 0.00 C ATOM 0 H LEU A 313 -0.299 5.627 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 313 -0.728 7.727 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 313 -0.130 4.769 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 313 0.181 6.081 -7.909 1.00 0.00 H new ATOM 0 HG LEU A 313 1.443 5.736 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 313 3.535 5.478 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 313 2.342 4.236 -6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 313 2.607 5.642 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 313 2.771 7.743 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 313 1.845 7.907 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 313 1.033 8.120 -5.685 1.00 0.00 H new ATOM 126 N LEU A 314 -2.943 5.302 -6.321 1.00 0.00 N ATOM 127 CA LEU A 314 -4.273 4.929 -6.875 1.00 0.00 C ATOM 128 C LEU A 314 -5.305 6.011 -6.548 1.00 0.00 C ATOM 129 O LEU A 314 -6.168 6.317 -7.347 1.00 0.00 O ATOM 130 CB LEU A 314 -4.711 3.604 -6.256 1.00 0.00 C ATOM 131 CG LEU A 314 -3.627 2.552 -6.493 1.00 0.00 C ATOM 132 CD1 LEU A 314 -4.077 1.220 -5.897 1.00 0.00 C ATOM 133 CD2 LEU A 314 -3.399 2.386 -7.997 1.00 0.00 C ATOM 0 H LEU A 314 -2.591 4.685 -5.589 1.00 0.00 H new ATOM 0 HA LEU A 314 -4.199 4.831 -7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -4.885 3.729 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -5.653 3.278 -6.696 1.00 0.00 H new ATOM 0 HG LEU A 314 -2.699 2.870 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -3.306 0.468 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -4.243 1.338 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -5.004 0.902 -6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -2.626 1.636 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -4.326 2.066 -8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -3.082 3.337 -8.424 1.00 0.00 H new ATOM 145 N CYS A 315 -5.227 6.587 -5.378 1.00 0.00 N ATOM 146 CA CYS A 315 -6.207 7.645 -4.991 1.00 0.00 C ATOM 147 C CYS A 315 -5.466 8.948 -4.694 1.00 0.00 C ATOM 148 O CYS A 315 -5.738 9.979 -5.277 1.00 0.00 O ATOM 149 CB CYS A 315 -6.970 7.202 -3.743 1.00 0.00 C ATOM 150 SG CYS A 315 -7.279 5.417 -3.818 1.00 0.00 S ATOM 0 H CYS A 315 -4.525 6.370 -4.671 1.00 0.00 H new ATOM 0 HA CYS A 315 -6.907 7.804 -5.811 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -6.396 7.444 -2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.914 7.742 -3.671 1.00 0.00 H new ATOM 0 HG CYS A 315 -6.890 4.862 -2.708 1.00 0.00 H new ATOM 155 N GLY A 316 -4.527 8.907 -3.792 1.00 0.00 N ATOM 156 CA GLY A 316 -3.759 10.137 -3.453 1.00 0.00 C ATOM 157 C GLY A 316 -4.481 10.917 -2.352 1.00 0.00 C ATOM 158 O GLY A 316 -4.466 12.132 -2.333 1.00 0.00 O ATOM 0 H GLY A 316 -4.257 8.072 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -2.755 9.870 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -3.647 10.762 -4.339 1.00 0.00 H new ATOM 162 N SER A 317 -5.110 10.231 -1.434 1.00 0.00 N ATOM 163 CA SER A 317 -5.827 10.937 -0.335 1.00 0.00 C ATOM 164 C SER A 317 -5.063 10.752 0.979 1.00 0.00 C ATOM 165 O SER A 317 -4.830 9.647 1.427 1.00 0.00 O ATOM 166 CB SER A 317 -7.234 10.355 -0.190 1.00 0.00 C ATOM 167 OG SER A 317 -7.960 11.115 0.767 1.00 0.00 O ATOM 0 H SER A 317 -5.157 9.213 -1.399 1.00 0.00 H new ATOM 0 HA SER A 317 -5.893 11.999 -0.570 1.00 0.00 H new ATOM 0 HB2 SER A 317 -7.748 10.372 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 317 -7.178 9.312 0.123 1.00 0.00 H new ATOM 0 HG SER A 317 -8.863 10.746 0.861 1.00 0.00 H new ATOM 173 N GLY A 318 -4.671 11.833 1.598 1.00 0.00 N ATOM 174 CA GLY A 318 -3.920 11.737 2.883 1.00 0.00 C ATOM 175 C GLY A 318 -4.793 11.085 3.961 1.00 0.00 C ATOM 176 O GLY A 318 -4.319 10.324 4.776 1.00 0.00 O ATOM 0 H GLY A 318 -4.840 12.783 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -3.011 11.153 2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -3.611 12.731 3.207 1.00 0.00 H new ATOM 180 N ASN A 319 -6.061 11.380 3.984 1.00 0.00 N ATOM 181 CA ASN A 319 -6.937 10.769 5.025 1.00 0.00 C ATOM 182 C ASN A 319 -6.828 9.247 4.961 1.00 0.00 C ATOM 183 O ASN A 319 -6.789 8.574 5.972 1.00 0.00 O ATOM 184 CB ASN A 319 -8.389 11.183 4.783 1.00 0.00 C ATOM 185 CG ASN A 319 -9.262 10.663 5.925 1.00 0.00 C ATOM 186 OD1 ASN A 319 -9.403 11.311 6.943 1.00 0.00 O ATOM 187 ND2 ASN A 319 -9.849 9.504 5.801 1.00 0.00 N ATOM 0 H ASN A 319 -6.528 12.012 3.334 1.00 0.00 H new ATOM 0 HA ASN A 319 -6.619 11.115 6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -8.463 12.269 4.719 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -8.739 10.783 3.832 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -10.427 9.141 6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -9.730 8.961 4.946 1.00 0.00 H new ATOM 194 N ASP A 320 -6.770 8.701 3.783 1.00 0.00 N ATOM 195 CA ASP A 320 -6.656 7.229 3.648 1.00 0.00 C ATOM 196 C ASP A 320 -5.249 6.801 4.068 1.00 0.00 C ATOM 197 O ASP A 320 -4.936 5.629 4.146 1.00 0.00 O ATOM 198 CB ASP A 320 -6.913 6.837 2.194 1.00 0.00 C ATOM 199 CG ASP A 320 -8.360 7.170 1.825 1.00 0.00 C ATOM 200 OD1 ASP A 320 -9.139 7.420 2.730 1.00 0.00 O ATOM 201 OD2 ASP A 320 -8.664 7.169 0.644 1.00 0.00 O ATOM 0 H ASP A 320 -6.797 9.215 2.903 1.00 0.00 H new ATOM 0 HA ASP A 320 -7.389 6.733 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -6.227 7.370 1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -6.727 5.772 2.055 1.00 0.00 H new ATOM 206 N GLU A 321 -4.397 7.755 4.333 1.00 0.00 N ATOM 207 CA GLU A 321 -3.001 7.434 4.743 1.00 0.00 C ATOM 208 C GLU A 321 -3.007 6.456 5.924 1.00 0.00 C ATOM 209 O GLU A 321 -2.060 5.723 6.134 1.00 0.00 O ATOM 210 CB GLU A 321 -2.285 8.724 5.156 1.00 0.00 C ATOM 211 CG GLU A 321 -0.838 8.413 5.532 1.00 0.00 C ATOM 212 CD GLU A 321 -0.147 9.690 6.010 1.00 0.00 C ATOM 213 OE1 GLU A 321 -0.811 10.711 6.072 1.00 0.00 O ATOM 214 OE2 GLU A 321 1.035 9.626 6.307 1.00 0.00 O ATOM 0 H GLU A 321 -4.611 8.751 4.282 1.00 0.00 H new ATOM 0 HA GLU A 321 -2.481 6.973 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -2.311 9.444 4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -2.800 9.182 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.810 7.657 6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -0.309 8.001 4.673 1.00 0.00 H new ATOM 221 N ASP A 322 -4.051 6.445 6.703 1.00 0.00 N ATOM 222 CA ASP A 322 -4.098 5.524 7.872 1.00 0.00 C ATOM 223 C ASP A 322 -3.927 4.072 7.413 1.00 0.00 C ATOM 224 O ASP A 322 -3.283 3.281 8.074 1.00 0.00 O ATOM 225 CB ASP A 322 -5.446 5.681 8.576 1.00 0.00 C ATOM 226 CG ASP A 322 -5.533 7.071 9.210 1.00 0.00 C ATOM 227 OD1 ASP A 322 -4.512 7.735 9.278 1.00 0.00 O ATOM 228 OD2 ASP A 322 -6.620 7.447 9.616 1.00 0.00 O ATOM 0 H ASP A 322 -4.875 7.034 6.581 1.00 0.00 H new ATOM 0 HA ASP A 322 -3.287 5.772 8.557 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -6.259 5.544 7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -5.560 4.913 9.341 1.00 0.00 H new ATOM 233 N ARG A 323 -4.499 3.712 6.296 1.00 0.00 N ATOM 234 CA ARG A 323 -4.370 2.307 5.806 1.00 0.00 C ATOM 235 C ARG A 323 -3.413 2.250 4.612 1.00 0.00 C ATOM 236 O ARG A 323 -3.354 1.267 3.900 1.00 0.00 O ATOM 237 CB ARG A 323 -5.743 1.778 5.389 1.00 0.00 C ATOM 238 CG ARG A 323 -6.661 1.729 6.612 1.00 0.00 C ATOM 239 CD ARG A 323 -7.962 1.015 6.246 1.00 0.00 C ATOM 240 NE ARG A 323 -8.929 1.137 7.373 1.00 0.00 N ATOM 241 CZ ARG A 323 -9.610 2.239 7.531 1.00 0.00 C ATOM 242 NH1 ARG A 323 -9.445 3.233 6.703 1.00 0.00 N ATOM 243 NH2 ARG A 323 -10.458 2.345 8.518 1.00 0.00 N ATOM 0 H ARG A 323 -5.051 4.330 5.700 1.00 0.00 H new ATOM 0 HA ARG A 323 -3.971 1.688 6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -6.175 2.421 4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -5.645 0.783 4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -6.166 1.207 7.431 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -6.874 2.740 6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -8.386 1.450 5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -7.765 -0.036 6.033 1.00 0.00 H new ATOM 0 HE ARG A 323 -9.059 0.360 8.021 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -8.783 3.149 5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -9.978 4.094 6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -10.588 1.567 9.165 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -10.991 3.206 8.642 1.00 0.00 H new ATOM 257 N LEU A 324 -2.667 3.294 4.384 1.00 0.00 N ATOM 258 CA LEU A 324 -1.717 3.297 3.234 1.00 0.00 C ATOM 259 C LEU A 324 -0.395 2.653 3.651 1.00 0.00 C ATOM 260 O LEU A 324 0.226 3.063 4.611 1.00 0.00 O ATOM 261 CB LEU A 324 -1.465 4.745 2.806 1.00 0.00 C ATOM 262 CG LEU A 324 -0.534 4.784 1.587 1.00 0.00 C ATOM 263 CD1 LEU A 324 -0.668 6.139 0.889 1.00 0.00 C ATOM 264 CD2 LEU A 324 0.928 4.581 2.018 1.00 0.00 C ATOM 0 H LEU A 324 -2.673 4.147 4.944 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.143 2.731 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.411 5.231 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -1.020 5.303 3.630 1.00 0.00 H new ATOM 0 HG LEU A 324 -0.817 3.982 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -0.007 6.169 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -1.699 6.281 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -0.393 6.934 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 324 1.574 4.612 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 324 1.217 5.373 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 324 1.031 3.614 2.511 1.00 0.00 H new ATOM 276 N LEU A 325 0.044 1.657 2.926 1.00 0.00 N ATOM 277 CA LEU A 325 1.334 0.992 3.264 1.00 0.00 C ATOM 278 C LEU A 325 2.286 1.101 2.070 1.00 0.00 C ATOM 279 O LEU A 325 1.872 1.071 0.924 1.00 0.00 O ATOM 280 CB LEU A 325 1.096 -0.482 3.619 1.00 0.00 C ATOM 281 CG LEU A 325 0.312 -1.179 2.504 1.00 0.00 C ATOM 282 CD1 LEU A 325 1.272 -2.001 1.642 1.00 0.00 C ATOM 283 CD2 LEU A 325 -0.730 -2.114 3.132 1.00 0.00 C ATOM 0 H LEU A 325 -0.438 1.276 2.112 1.00 0.00 H new ATOM 0 HA LEU A 325 1.779 1.486 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 325 2.051 -0.985 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 325 0.546 -0.553 4.558 1.00 0.00 H new ATOM 0 HG LEU A 325 -0.185 -0.433 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 325 0.714 -2.497 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 325 2.021 -1.342 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 325 1.766 -2.750 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -1.292 -2.614 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -0.226 -2.860 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -1.413 -1.533 3.752 1.00 0.00 H new ATOM 295 N LEU A 326 3.559 1.241 2.332 1.00 0.00 N ATOM 296 CA LEU A 326 4.550 1.368 1.226 1.00 0.00 C ATOM 297 C LEU A 326 5.078 -0.018 0.848 1.00 0.00 C ATOM 298 O LEU A 326 5.330 -0.853 1.693 1.00 0.00 O ATOM 299 CB LEU A 326 5.713 2.254 1.684 1.00 0.00 C ATOM 300 CG LEU A 326 6.691 2.483 0.524 1.00 0.00 C ATOM 301 CD1 LEU A 326 6.095 3.473 -0.480 1.00 0.00 C ATOM 302 CD2 LEU A 326 8.002 3.050 1.074 1.00 0.00 C ATOM 0 H LEU A 326 3.956 1.273 3.271 1.00 0.00 H new ATOM 0 HA LEU A 326 4.070 1.819 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 326 5.332 3.210 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 326 6.232 1.784 2.519 1.00 0.00 H new ATOM 0 HG LEU A 326 6.877 1.534 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 326 6.797 3.628 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 326 5.161 3.073 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 326 5.902 4.424 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 326 8.700 3.214 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 326 7.806 3.996 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 326 8.435 2.344 1.783 1.00 0.00 H new ATOM 314 N CYS A 327 5.241 -0.265 -0.422 1.00 0.00 N ATOM 315 CA CYS A 327 5.744 -1.591 -0.873 1.00 0.00 C ATOM 316 C CYS A 327 7.267 -1.651 -0.722 1.00 0.00 C ATOM 317 O CYS A 327 7.994 -0.937 -1.381 1.00 0.00 O ATOM 318 CB CYS A 327 5.376 -1.781 -2.344 1.00 0.00 C ATOM 319 SG CYS A 327 6.301 -3.173 -3.033 1.00 0.00 S ATOM 0 H CYS A 327 5.046 0.400 -1.171 1.00 0.00 H new ATOM 0 HA CYS A 327 5.295 -2.377 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 327 4.305 -1.961 -2.440 1.00 0.00 H new ATOM 0 HB3 CYS A 327 5.598 -0.873 -2.904 1.00 0.00 H new ATOM 0 HG CYS A 327 6.670 -2.891 -4.247 1.00 0.00 H new ATOM 324 N ASP A 328 7.754 -2.503 0.140 1.00 0.00 N ATOM 325 CA ASP A 328 9.229 -2.613 0.327 1.00 0.00 C ATOM 326 C ASP A 328 9.878 -3.130 -0.960 1.00 0.00 C ATOM 327 O ASP A 328 10.948 -2.702 -1.344 1.00 0.00 O ATOM 328 CB ASP A 328 9.530 -3.583 1.471 1.00 0.00 C ATOM 329 CG ASP A 328 9.048 -2.984 2.792 1.00 0.00 C ATOM 330 OD1 ASP A 328 8.691 -1.818 2.796 1.00 0.00 O ATOM 331 OD2 ASP A 328 9.043 -3.704 3.777 1.00 0.00 O ATOM 0 H ASP A 328 7.195 -3.127 0.722 1.00 0.00 H new ATOM 0 HA ASP A 328 9.633 -1.629 0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 328 9.036 -4.538 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 328 10.600 -3.783 1.520 1.00 0.00 H new ATOM 336 N GLY A 329 9.242 -4.057 -1.623 1.00 0.00 N ATOM 337 CA GLY A 329 9.824 -4.612 -2.879 1.00 0.00 C ATOM 338 C GLY A 329 10.069 -3.484 -3.881 1.00 0.00 C ATOM 339 O GLY A 329 11.063 -3.462 -4.578 1.00 0.00 O ATOM 0 H GLY A 329 8.344 -4.455 -1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 329 10.760 -5.126 -2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 329 9.147 -5.351 -3.308 1.00 0.00 H new ATOM 343 N CYS A 330 9.168 -2.545 -3.958 1.00 0.00 N ATOM 344 CA CYS A 330 9.347 -1.416 -4.912 1.00 0.00 C ATOM 345 C CYS A 330 8.636 -0.178 -4.360 1.00 0.00 C ATOM 346 O CYS A 330 7.739 -0.278 -3.550 1.00 0.00 O ATOM 347 CB CYS A 330 8.754 -1.795 -6.271 1.00 0.00 C ATOM 348 SG CYS A 330 6.987 -1.410 -6.293 1.00 0.00 S ATOM 0 H CYS A 330 8.314 -2.511 -3.401 1.00 0.00 H new ATOM 0 HA CYS A 330 10.408 -1.201 -5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 330 9.265 -1.251 -7.066 1.00 0.00 H new ATOM 0 HB3 CYS A 330 8.907 -2.857 -6.462 1.00 0.00 H new ATOM 0 HG CYS A 330 6.302 -2.515 -6.298 1.00 0.00 H new ATOM 353 N ASP A 331 9.032 0.989 -4.784 1.00 0.00 N ATOM 354 CA ASP A 331 8.380 2.223 -4.268 1.00 0.00 C ATOM 355 C ASP A 331 6.943 2.300 -4.781 1.00 0.00 C ATOM 356 O ASP A 331 6.666 2.908 -5.796 1.00 0.00 O ATOM 357 CB ASP A 331 9.159 3.450 -4.747 1.00 0.00 C ATOM 358 CG ASP A 331 8.598 4.705 -4.079 1.00 0.00 C ATOM 359 OD1 ASP A 331 7.738 4.564 -3.224 1.00 0.00 O ATOM 360 OD2 ASP A 331 9.038 5.788 -4.431 1.00 0.00 O ATOM 0 H ASP A 331 9.777 1.141 -5.464 1.00 0.00 H new ATOM 0 HA ASP A 331 8.373 2.198 -3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 331 10.216 3.339 -4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 331 9.087 3.539 -5.831 1.00 0.00 H new ATOM 365 N ASP A 332 6.025 1.692 -4.081 1.00 0.00 N ATOM 366 CA ASP A 332 4.603 1.734 -4.517 1.00 0.00 C ATOM 367 C ASP A 332 3.700 1.767 -3.283 1.00 0.00 C ATOM 368 O ASP A 332 3.772 0.902 -2.434 1.00 0.00 O ATOM 369 CB ASP A 332 4.286 0.490 -5.350 1.00 0.00 C ATOM 370 CG ASP A 332 2.876 0.610 -5.932 1.00 0.00 C ATOM 371 OD1 ASP A 332 2.274 1.657 -5.763 1.00 0.00 O ATOM 372 OD2 ASP A 332 2.423 -0.347 -6.539 1.00 0.00 O ATOM 0 H ASP A 332 6.200 1.167 -3.224 1.00 0.00 H new ATOM 0 HA ASP A 332 4.431 2.625 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 332 5.014 0.382 -6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 332 4.360 -0.404 -4.731 1.00 0.00 H new ATOM 377 N SER A 333 2.855 2.760 -3.175 1.00 0.00 N ATOM 378 CA SER A 333 1.955 2.846 -1.989 1.00 0.00 C ATOM 379 C SER A 333 0.495 2.731 -2.430 1.00 0.00 C ATOM 380 O SER A 333 0.076 3.331 -3.403 1.00 0.00 O ATOM 381 CB SER A 333 2.160 4.193 -1.300 1.00 0.00 C ATOM 382 OG SER A 333 3.505 4.294 -0.855 1.00 0.00 O ATOM 0 H SER A 333 2.750 3.513 -3.856 1.00 0.00 H new ATOM 0 HA SER A 333 2.190 2.033 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 333 1.931 5.005 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 333 1.477 4.290 -0.456 1.00 0.00 H new ATOM 0 HG SER A 333 3.601 5.081 -0.278 1.00 0.00 H new ATOM 388 N TYR A 334 -0.286 1.973 -1.708 1.00 0.00 N ATOM 389 CA TYR A 334 -1.727 1.823 -2.063 1.00 0.00 C ATOM 390 C TYR A 334 -2.526 1.457 -0.813 1.00 0.00 C ATOM 391 O TYR A 334 -1.984 0.970 0.161 1.00 0.00 O ATOM 392 CB TYR A 334 -1.901 0.741 -3.131 1.00 0.00 C ATOM 393 CG TYR A 334 -1.053 -0.456 -2.791 1.00 0.00 C ATOM 394 CD1 TYR A 334 -1.399 -1.278 -1.714 1.00 0.00 C ATOM 395 CD2 TYR A 334 0.076 -0.746 -3.562 1.00 0.00 C ATOM 396 CE1 TYR A 334 -0.611 -2.392 -1.406 1.00 0.00 C ATOM 397 CE2 TYR A 334 0.865 -1.859 -3.255 1.00 0.00 C ATOM 398 CZ TYR A 334 0.522 -2.683 -2.177 1.00 0.00 C ATOM 399 OH TYR A 334 1.302 -3.780 -1.874 1.00 0.00 O ATOM 0 H TYR A 334 0.013 1.450 -0.885 1.00 0.00 H new ATOM 0 HA TYR A 334 -2.095 2.768 -2.463 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.949 0.448 -3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -1.617 1.133 -4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -2.273 -1.053 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 334 0.339 -0.111 -4.395 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -0.876 -3.028 -0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 334 1.739 -2.083 -3.849 1.00 0.00 H new ATOM 0 HH TYR A 334 2.156 -3.480 -1.498 1.00 0.00 H new ATOM 409 N HIS A 335 -3.810 1.692 -0.825 1.00 0.00 N ATOM 410 CA HIS A 335 -4.633 1.363 0.371 1.00 0.00 C ATOM 411 C HIS A 335 -4.983 -0.122 0.369 1.00 0.00 C ATOM 412 O HIS A 335 -5.025 -0.766 -0.661 1.00 0.00 O ATOM 413 CB HIS A 335 -5.922 2.183 0.359 1.00 0.00 C ATOM 414 CG HIS A 335 -5.577 3.642 0.365 1.00 0.00 C ATOM 415 ND1 HIS A 335 -6.047 4.522 -0.599 1.00 0.00 N ATOM 416 CD2 HIS A 335 -4.804 4.389 1.216 1.00 0.00 C ATOM 417 CE1 HIS A 335 -5.555 5.740 -0.303 1.00 0.00 C ATOM 418 NE2 HIS A 335 -4.791 5.709 0.791 1.00 0.00 N ATOM 0 H HIS A 335 -4.322 2.096 -1.609 1.00 0.00 H new ATOM 0 HA HIS A 335 -4.059 1.601 1.267 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.513 1.940 -0.524 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.532 1.937 1.229 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -4.285 4.008 2.083 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -5.754 6.631 -0.879 1.00 0.00 H new ATOM 0 HE2 HIS A 335 -4.301 6.492 1.224 1.00 0.00 H new ATOM 426 N THR A 336 -5.232 -0.665 1.523 1.00 0.00 N ATOM 427 CA THR A 336 -5.577 -2.104 1.625 1.00 0.00 C ATOM 428 C THR A 336 -6.962 -2.354 1.023 1.00 0.00 C ATOM 429 O THR A 336 -7.327 -3.477 0.739 1.00 0.00 O ATOM 430 CB THR A 336 -5.583 -2.494 3.102 1.00 0.00 C ATOM 431 OG1 THR A 336 -6.612 -1.779 3.771 1.00 0.00 O ATOM 432 CG2 THR A 336 -4.231 -2.145 3.724 1.00 0.00 C ATOM 0 H THR A 336 -5.211 -0.165 2.412 1.00 0.00 H new ATOM 0 HA THR A 336 -4.846 -2.700 1.079 1.00 0.00 H new ATOM 0 HB THR A 336 -5.761 -3.565 3.199 1.00 0.00 H new ATOM 0 HG1 THR A 336 -7.184 -2.408 4.258 1.00 0.00 H new ATOM 0 HG21 THR A 336 -4.233 -2.422 4.778 1.00 0.00 H new ATOM 0 HG22 THR A 336 -3.441 -2.690 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 336 -4.054 -1.074 3.631 1.00 0.00 H new ATOM 440 N PHE A 337 -7.742 -1.321 0.842 1.00 0.00 N ATOM 441 CA PHE A 337 -9.111 -1.505 0.278 1.00 0.00 C ATOM 442 C PHE A 337 -9.199 -0.926 -1.139 1.00 0.00 C ATOM 443 O PHE A 337 -10.265 -0.878 -1.720 1.00 0.00 O ATOM 444 CB PHE A 337 -10.121 -0.781 1.166 1.00 0.00 C ATOM 445 CG PHE A 337 -9.942 0.708 1.002 1.00 0.00 C ATOM 446 CD1 PHE A 337 -9.042 1.400 1.818 1.00 0.00 C ATOM 447 CD2 PHE A 337 -10.674 1.395 0.026 1.00 0.00 C ATOM 448 CE1 PHE A 337 -8.873 2.780 1.662 1.00 0.00 C ATOM 449 CE2 PHE A 337 -10.505 2.774 -0.132 1.00 0.00 C ATOM 450 CZ PHE A 337 -9.604 3.468 0.686 1.00 0.00 C ATOM 0 H PHE A 337 -7.490 -0.357 1.061 1.00 0.00 H new ATOM 0 HA PHE A 337 -9.329 -2.572 0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -11.136 -1.070 0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -9.977 -1.065 2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -8.477 0.869 2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -11.369 0.860 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -8.179 3.314 2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -11.069 3.304 -0.885 1.00 0.00 H new ATOM 0 HZ PHE A 337 -9.473 4.533 0.564 1.00 0.00 H new ATOM 460 N CYS A 338 -8.104 -0.474 -1.699 1.00 0.00 N ATOM 461 CA CYS A 338 -8.163 0.109 -3.075 1.00 0.00 C ATOM 462 C CYS A 338 -7.127 -0.563 -3.980 1.00 0.00 C ATOM 463 O CYS A 338 -6.566 0.058 -4.862 1.00 0.00 O ATOM 464 CB CYS A 338 -7.901 1.618 -3.005 1.00 0.00 C ATOM 465 SG CYS A 338 -6.123 1.952 -3.091 1.00 0.00 S ATOM 0 H CYS A 338 -7.180 -0.483 -1.268 1.00 0.00 H new ATOM 0 HA CYS A 338 -9.154 -0.065 -3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -8.413 2.121 -3.825 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -8.310 2.022 -2.079 1.00 0.00 H new ATOM 0 HG CYS A 338 -5.827 2.935 -2.293 1.00 0.00 H new ATOM 470 N LEU A 339 -6.883 -1.831 -3.783 1.00 0.00 N ATOM 471 CA LEU A 339 -5.893 -2.544 -4.647 1.00 0.00 C ATOM 472 C LEU A 339 -5.877 -4.033 -4.303 1.00 0.00 C ATOM 473 O LEU A 339 -5.884 -4.883 -5.173 1.00 0.00 O ATOM 474 CB LEU A 339 -4.494 -1.966 -4.416 1.00 0.00 C ATOM 475 CG LEU A 339 -3.507 -2.601 -5.400 1.00 0.00 C ATOM 476 CD1 LEU A 339 -3.808 -2.125 -6.824 1.00 0.00 C ATOM 477 CD2 LEU A 339 -2.081 -2.193 -5.022 1.00 0.00 C ATOM 0 H LEU A 339 -7.324 -2.404 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 339 -6.179 -2.413 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -4.510 -0.884 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -4.175 -2.157 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 339 -3.606 -3.686 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -3.101 -2.581 -7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -4.823 -2.414 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -3.714 -1.040 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -1.376 -2.644 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -1.990 -1.108 -5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -1.860 -2.537 -4.012 1.00 0.00 H new ATOM 489 N ILE A 340 -5.831 -4.350 -3.044 1.00 0.00 N ATOM 490 CA ILE A 340 -5.785 -5.774 -2.623 1.00 0.00 C ATOM 491 C ILE A 340 -7.100 -6.148 -1.927 1.00 0.00 C ATOM 492 O ILE A 340 -7.746 -5.310 -1.332 1.00 0.00 O ATOM 493 CB ILE A 340 -4.609 -5.928 -1.663 1.00 0.00 C ATOM 494 CG1 ILE A 340 -4.887 -5.122 -0.394 1.00 0.00 C ATOM 495 CG2 ILE A 340 -3.339 -5.398 -2.331 1.00 0.00 C ATOM 496 CD1 ILE A 340 -3.655 -5.153 0.513 1.00 0.00 C ATOM 0 H ILE A 340 -5.823 -3.676 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 340 -5.659 -6.433 -3.482 1.00 0.00 H new ATOM 0 HB ILE A 340 -4.477 -6.980 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -5.136 -4.093 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -5.748 -5.536 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -2.496 -5.506 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -3.143 -5.964 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -3.471 -4.345 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -3.854 -4.578 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -3.427 -6.184 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -2.805 -4.719 -0.013 1.00 0.00 H new ATOM 508 N PRO A 341 -7.500 -7.401 -1.999 1.00 0.00 N ATOM 509 CA PRO A 341 -8.757 -7.865 -1.360 1.00 0.00 C ATOM 510 C PRO A 341 -8.934 -7.286 0.052 1.00 0.00 C ATOM 511 O PRO A 341 -9.967 -6.726 0.354 1.00 0.00 O ATOM 512 CB PRO A 341 -8.650 -9.396 -1.329 1.00 0.00 C ATOM 513 CG PRO A 341 -7.368 -9.761 -2.020 1.00 0.00 C ATOM 514 CD PRO A 341 -6.811 -8.500 -2.685 1.00 0.00 C ATOM 0 HA PRO A 341 -9.632 -7.529 -1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -8.652 -9.762 -0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -9.503 -9.852 -1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -6.651 -10.162 -1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -7.544 -10.538 -2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -5.730 -8.430 -2.565 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -7.014 -8.491 -3.756 1.00 0.00 H new ATOM 522 N PRO A 342 -7.936 -7.389 0.910 1.00 0.00 N ATOM 523 CA PRO A 342 -8.014 -6.823 2.279 1.00 0.00 C ATOM 524 C PRO A 342 -8.818 -5.518 2.320 1.00 0.00 C ATOM 525 O PRO A 342 -9.049 -4.891 1.307 1.00 0.00 O ATOM 526 CB PRO A 342 -6.552 -6.565 2.627 1.00 0.00 C ATOM 527 CG PRO A 342 -5.772 -7.596 1.875 1.00 0.00 C ATOM 528 CD PRO A 342 -6.639 -8.062 0.699 1.00 0.00 C ATOM 0 HA PRO A 342 -8.522 -7.489 2.976 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -6.252 -5.558 2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -6.383 -6.652 3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -4.831 -7.179 1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -5.522 -8.436 2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -6.196 -7.781 -0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -6.750 -9.146 0.692 1.00 0.00 H new ATOM 536 N LEU A 343 -9.250 -5.107 3.481 1.00 0.00 N ATOM 537 CA LEU A 343 -10.050 -3.851 3.574 1.00 0.00 C ATOM 538 C LEU A 343 -9.579 -3.007 4.760 1.00 0.00 C ATOM 539 O LEU A 343 -8.420 -2.663 4.874 1.00 0.00 O ATOM 540 CB LEU A 343 -11.528 -4.203 3.766 1.00 0.00 C ATOM 541 CG LEU A 343 -12.027 -5.028 2.575 1.00 0.00 C ATOM 542 CD1 LEU A 343 -13.452 -5.509 2.853 1.00 0.00 C ATOM 543 CD2 LEU A 343 -12.027 -4.163 1.310 1.00 0.00 C ATOM 0 H LEU A 343 -9.085 -5.584 4.367 1.00 0.00 H new ATOM 0 HA LEU A 343 -9.917 -3.281 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -11.660 -4.766 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -12.118 -3.292 3.861 1.00 0.00 H new ATOM 0 HG LEU A 343 -11.369 -5.884 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -13.809 -6.096 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -13.459 -6.126 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -14.105 -4.648 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -12.382 -4.753 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -12.684 -3.306 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -11.014 -3.814 1.108 1.00 0.00 H new ATOM 555 N HIS A 344 -10.480 -2.661 5.639 1.00 0.00 N ATOM 556 CA HIS A 344 -10.105 -1.823 6.813 1.00 0.00 C ATOM 557 C HIS A 344 -8.902 -2.436 7.533 1.00 0.00 C ATOM 558 O HIS A 344 -8.038 -1.735 8.019 1.00 0.00 O ATOM 559 CB HIS A 344 -11.289 -1.746 7.779 1.00 0.00 C ATOM 560 CG HIS A 344 -12.463 -1.114 7.083 1.00 0.00 C ATOM 561 ND1 HIS A 344 -12.490 0.234 6.755 1.00 0.00 N ATOM 562 CD2 HIS A 344 -13.657 -1.631 6.646 1.00 0.00 C ATOM 563 CE1 HIS A 344 -13.667 0.481 6.148 1.00 0.00 C ATOM 564 NE2 HIS A 344 -14.411 -0.623 6.057 1.00 0.00 N ATOM 0 H HIS A 344 -11.464 -2.924 5.594 1.00 0.00 H new ATOM 0 HA HIS A 344 -9.843 -0.823 6.469 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -11.553 -2.744 8.127 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -11.017 -1.163 8.659 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -13.963 -2.662 6.745 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -13.970 1.450 5.781 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -15.339 -0.709 5.642 1.00 0.00 H new ATOM 573 N ASP A 345 -8.842 -3.735 7.616 1.00 0.00 N ATOM 574 CA ASP A 345 -7.698 -4.377 8.314 1.00 0.00 C ATOM 575 C ASP A 345 -6.507 -4.498 7.361 1.00 0.00 C ATOM 576 O ASP A 345 -6.628 -4.997 6.259 1.00 0.00 O ATOM 577 CB ASP A 345 -8.118 -5.769 8.788 1.00 0.00 C ATOM 578 CG ASP A 345 -9.183 -5.638 9.878 1.00 0.00 C ATOM 579 OD1 ASP A 345 -9.371 -4.535 10.365 1.00 0.00 O ATOM 580 OD2 ASP A 345 -9.793 -6.642 10.206 1.00 0.00 O ATOM 0 H ASP A 345 -9.535 -4.378 7.231 1.00 0.00 H new ATOM 0 HA ASP A 345 -7.407 -3.768 9.170 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -8.509 -6.347 7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -7.253 -6.310 9.173 1.00 0.00 H new ATOM 585 N VAL A 346 -5.356 -4.043 7.781 1.00 0.00 N ATOM 586 CA VAL A 346 -4.156 -4.125 6.913 1.00 0.00 C ATOM 587 C VAL A 346 -3.233 -5.242 7.423 1.00 0.00 C ATOM 588 O VAL A 346 -3.117 -5.452 8.615 1.00 0.00 O ATOM 589 CB VAL A 346 -3.420 -2.786 6.967 1.00 0.00 C ATOM 590 CG1 VAL A 346 -4.430 -1.659 7.183 1.00 0.00 C ATOM 591 CG2 VAL A 346 -2.416 -2.793 8.123 1.00 0.00 C ATOM 0 H VAL A 346 -5.200 -3.616 8.694 1.00 0.00 H new ATOM 0 HA VAL A 346 -4.450 -4.345 5.887 1.00 0.00 H new ATOM 0 HB VAL A 346 -2.889 -2.630 6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -3.906 -0.704 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -5.145 -1.648 6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -4.960 -1.820 8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 346 -1.894 -1.837 8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -2.945 -2.952 9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -1.694 -3.595 7.973 1.00 0.00 H new ATOM 601 N PRO A 347 -2.579 -5.956 6.539 1.00 0.00 N ATOM 602 CA PRO A 347 -1.656 -7.058 6.934 1.00 0.00 C ATOM 603 C PRO A 347 -0.426 -6.530 7.676 1.00 0.00 C ATOM 604 O PRO A 347 0.138 -5.517 7.315 1.00 0.00 O ATOM 605 CB PRO A 347 -1.248 -7.705 5.607 1.00 0.00 C ATOM 606 CG PRO A 347 -1.504 -6.674 4.559 1.00 0.00 C ATOM 607 CD PRO A 347 -2.636 -5.790 5.079 1.00 0.00 C ATOM 0 HA PRO A 347 -2.134 -7.759 7.619 1.00 0.00 H new ATOM 0 HB2 PRO A 347 -0.198 -7.997 5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -1.828 -8.608 5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 347 -0.608 -6.083 4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -1.782 -7.143 3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -2.493 -4.749 4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -3.601 -6.102 4.680 1.00 0.00 H new ATOM 615 N LYS A 348 -0.007 -7.203 8.710 1.00 0.00 N ATOM 616 CA LYS A 348 1.185 -6.729 9.469 1.00 0.00 C ATOM 617 C LYS A 348 2.379 -6.682 8.527 1.00 0.00 C ATOM 618 O LYS A 348 3.144 -5.738 8.509 1.00 0.00 O ATOM 619 CB LYS A 348 1.489 -7.715 10.588 1.00 0.00 C ATOM 620 CG LYS A 348 0.247 -7.885 11.456 1.00 0.00 C ATOM 621 CD LYS A 348 0.581 -8.761 12.666 1.00 0.00 C ATOM 622 CE LYS A 348 -0.695 -9.042 13.459 1.00 0.00 C ATOM 623 NZ LYS A 348 -0.959 -7.911 14.393 1.00 0.00 N ATOM 0 H LYS A 348 -0.436 -8.059 9.063 1.00 0.00 H new ATOM 0 HA LYS A 348 0.990 -5.740 9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 348 1.790 -8.676 10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 348 2.322 -7.354 11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 348 -0.113 -6.911 11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -0.555 -8.340 10.875 1.00 0.00 H new ATOM 0 HD2 LYS A 348 1.031 -9.698 12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 348 1.313 -8.261 13.300 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -1.537 -9.170 12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -0.591 -9.972 14.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -1.827 -8.102 14.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -0.159 -7.809 15.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -1.076 -7.032 13.850 1.00 0.00 H new ATOM 637 N GLY A 349 2.535 -7.704 7.740 1.00 0.00 N ATOM 638 CA GLY A 349 3.675 -7.743 6.781 1.00 0.00 C ATOM 639 C GLY A 349 3.426 -6.728 5.671 1.00 0.00 C ATOM 640 O GLY A 349 2.308 -6.532 5.237 1.00 0.00 O ATOM 0 H GLY A 349 1.922 -8.519 7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 349 4.608 -7.516 7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 349 3.779 -8.743 6.360 1.00 0.00 H new ATOM 644 N ASP A 350 4.454 -6.081 5.201 1.00 0.00 N ATOM 645 CA ASP A 350 4.260 -5.088 4.118 1.00 0.00 C ATOM 646 C ASP A 350 3.731 -5.807 2.879 1.00 0.00 C ATOM 647 O ASP A 350 4.131 -6.913 2.572 1.00 0.00 O ATOM 648 CB ASP A 350 5.598 -4.421 3.799 1.00 0.00 C ATOM 649 CG ASP A 350 6.036 -3.568 4.992 1.00 0.00 C ATOM 650 OD1 ASP A 350 5.224 -3.365 5.878 1.00 0.00 O ATOM 651 OD2 ASP A 350 7.175 -3.132 4.998 1.00 0.00 O ATOM 0 H ASP A 350 5.416 -6.198 5.520 1.00 0.00 H new ATOM 0 HA ASP A 350 3.546 -4.326 4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 350 6.352 -5.178 3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 350 5.504 -3.800 2.908 1.00 0.00 H new ATOM 656 N TRP A 351 2.830 -5.193 2.166 1.00 0.00 N ATOM 657 CA TRP A 351 2.275 -5.848 0.954 1.00 0.00 C ATOM 658 C TRP A 351 3.083 -5.394 -0.258 1.00 0.00 C ATOM 659 O TRP A 351 3.443 -4.241 -0.380 1.00 0.00 O ATOM 660 CB TRP A 351 0.807 -5.458 0.775 1.00 0.00 C ATOM 661 CG TRP A 351 0.099 -6.533 0.012 1.00 0.00 C ATOM 662 CD1 TRP A 351 -0.206 -6.483 -1.305 1.00 0.00 C ATOM 663 CD2 TRP A 351 -0.394 -7.815 0.498 1.00 0.00 C ATOM 664 NE1 TRP A 351 -0.855 -7.652 -1.658 1.00 0.00 N ATOM 665 CE2 TRP A 351 -0.996 -8.504 -0.582 1.00 0.00 C ATOM 666 CE3 TRP A 351 -0.380 -8.441 1.758 1.00 0.00 C ATOM 667 CZ2 TRP A 351 -1.562 -9.769 -0.417 1.00 0.00 C ATOM 668 CZ3 TRP A 351 -0.949 -9.714 1.927 1.00 0.00 C ATOM 669 CH2 TRP A 351 -1.538 -10.376 0.842 1.00 0.00 C ATOM 0 H TRP A 351 2.455 -4.267 2.371 1.00 0.00 H new ATOM 0 HA TRP A 351 2.337 -6.931 1.058 1.00 0.00 H new ATOM 0 HB2 TRP A 351 0.336 -5.316 1.747 1.00 0.00 H new ATOM 0 HB3 TRP A 351 0.733 -4.510 0.243 1.00 0.00 H new ATOM 0 HD1 TRP A 351 0.020 -5.664 -1.972 1.00 0.00 H new ATOM 0 HE1 TRP A 351 -1.189 -7.859 -2.599 1.00 0.00 H new ATOM 0 HE3 TRP A 351 0.071 -7.939 2.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 -2.015 -10.275 -1.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 -0.932 -10.185 2.899 1.00 0.00 H new ATOM 0 HH2 TRP A 351 -1.973 -11.355 0.978 1.00 0.00 H new ATOM 680 N ARG A 352 3.382 -6.299 -1.143 1.00 0.00 N ATOM 681 CA ARG A 352 4.186 -5.940 -2.342 1.00 0.00 C ATOM 682 C ARG A 352 3.357 -6.133 -3.604 1.00 0.00 C ATOM 683 O ARG A 352 2.659 -7.115 -3.762 1.00 0.00 O ATOM 684 CB ARG A 352 5.415 -6.841 -2.400 1.00 0.00 C ATOM 685 CG ARG A 352 6.343 -6.507 -1.235 1.00 0.00 C ATOM 686 CD ARG A 352 7.518 -7.478 -1.240 1.00 0.00 C ATOM 687 NE ARG A 352 8.492 -7.090 -0.181 1.00 0.00 N ATOM 688 CZ ARG A 352 8.249 -7.387 1.067 1.00 0.00 C ATOM 689 NH1 ARG A 352 7.155 -8.023 1.386 1.00 0.00 N ATOM 690 NH2 ARG A 352 9.101 -7.047 1.996 1.00 0.00 N ATOM 0 H ARG A 352 3.103 -7.278 -1.088 1.00 0.00 H new ATOM 0 HA ARG A 352 4.490 -4.895 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 352 5.115 -7.888 -2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 352 5.937 -6.702 -3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 352 6.702 -5.482 -1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 352 5.802 -6.576 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 352 7.164 -8.494 -1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 352 8.004 -7.471 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 352 9.347 -6.593 -0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 352 6.489 -8.288 0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 352 6.966 -8.255 2.361 1.00 0.00 H new ATOM 0 HH21 ARG A 352 9.956 -6.550 1.747 1.00 0.00 H new ATOM 0 HH22 ARG A 352 8.912 -7.279 2.971 1.00 0.00 H new ATOM 704 N CYS A 353 3.438 -5.203 -4.510 1.00 0.00 N ATOM 705 CA CYS A 353 2.667 -5.331 -5.769 1.00 0.00 C ATOM 706 C CYS A 353 3.166 -6.584 -6.508 1.00 0.00 C ATOM 707 O CYS A 353 4.289 -7.008 -6.324 1.00 0.00 O ATOM 708 CB CYS A 353 2.876 -4.075 -6.619 1.00 0.00 C ATOM 709 SG CYS A 353 3.564 -2.751 -5.589 1.00 0.00 S ATOM 0 H CYS A 353 4.006 -4.360 -4.431 1.00 0.00 H new ATOM 0 HA CYS A 353 1.601 -5.431 -5.567 1.00 0.00 H new ATOM 0 HB2 CYS A 353 3.550 -4.292 -7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 353 1.929 -3.756 -7.054 1.00 0.00 H new ATOM 0 HG CYS A 353 2.748 -1.739 -5.581 1.00 0.00 H new ATOM 714 N PRO A 354 2.325 -7.202 -7.293 1.00 0.00 N ATOM 715 CA PRO A 354 2.670 -8.463 -8.023 1.00 0.00 C ATOM 716 C PRO A 354 3.996 -8.400 -8.799 1.00 0.00 C ATOM 717 O PRO A 354 4.744 -9.357 -8.824 1.00 0.00 O ATOM 718 CB PRO A 354 1.499 -8.672 -8.995 1.00 0.00 C ATOM 719 CG PRO A 354 0.652 -7.440 -8.919 1.00 0.00 C ATOM 720 CD PRO A 354 0.956 -6.771 -7.583 1.00 0.00 C ATOM 0 HA PRO A 354 2.812 -9.278 -7.314 1.00 0.00 H new ATOM 0 HB2 PRO A 354 1.862 -8.830 -10.010 1.00 0.00 H new ATOM 0 HB3 PRO A 354 0.922 -9.556 -8.722 1.00 0.00 H new ATOM 0 HG2 PRO A 354 0.875 -6.767 -9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.406 -7.694 -8.991 1.00 0.00 H new ATOM 0 HD2 PRO A 354 0.882 -5.686 -7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 354 0.261 -7.090 -6.806 1.00 0.00 H new ATOM 728 N LYS A 355 4.298 -7.303 -9.435 1.00 0.00 N ATOM 729 CA LYS A 355 5.578 -7.226 -10.206 1.00 0.00 C ATOM 730 C LYS A 355 6.771 -7.445 -9.273 1.00 0.00 C ATOM 731 O LYS A 355 7.748 -8.073 -9.629 1.00 0.00 O ATOM 732 CB LYS A 355 5.698 -5.853 -10.863 1.00 0.00 C ATOM 733 CG LYS A 355 5.543 -4.771 -9.797 1.00 0.00 C ATOM 734 CD LYS A 355 5.606 -3.390 -10.454 1.00 0.00 C ATOM 735 CE LYS A 355 4.403 -3.203 -11.382 1.00 0.00 C ATOM 736 NZ LYS A 355 4.777 -3.606 -12.766 1.00 0.00 N ATOM 0 H LYS A 355 3.722 -6.461 -9.457 1.00 0.00 H new ATOM 0 HA LYS A 355 5.575 -8.002 -10.971 1.00 0.00 H new ATOM 0 HB2 LYS A 355 6.664 -5.757 -11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 355 4.933 -5.736 -11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 355 4.594 -4.894 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.332 -4.866 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 355 5.612 -2.613 -9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 355 6.532 -3.288 -11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 355 3.563 -3.803 -11.032 1.00 0.00 H new ATOM 0 HE3 LYS A 355 4.079 -2.162 -11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 4.630 -2.805 -13.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 5.778 -3.889 -12.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 4.185 -4.406 -13.066 1.00 0.00 H new ATOM 750 N CYS A 356 6.695 -6.924 -8.087 1.00 0.00 N ATOM 751 CA CYS A 356 7.816 -7.080 -7.116 1.00 0.00 C ATOM 752 C CYS A 356 7.853 -8.519 -6.606 1.00 0.00 C ATOM 753 O CYS A 356 8.905 -9.083 -6.378 1.00 0.00 O ATOM 754 CB CYS A 356 7.598 -6.116 -5.949 1.00 0.00 C ATOM 755 SG CYS A 356 6.119 -5.131 -6.289 1.00 0.00 S ATOM 0 H CYS A 356 5.898 -6.390 -7.741 1.00 0.00 H new ATOM 0 HA CYS A 356 8.765 -6.854 -7.602 1.00 0.00 H new ATOM 0 HB2 CYS A 356 7.479 -6.669 -5.017 1.00 0.00 H new ATOM 0 HB3 CYS A 356 8.465 -5.467 -5.826 1.00 0.00 H new ATOM 0 HG CYS A 356 5.088 -5.916 -6.388 1.00 0.00 H new ATOM 760 N LEU A 357 6.710 -9.117 -6.422 1.00 0.00 N ATOM 761 CA LEU A 357 6.673 -10.520 -5.925 1.00 0.00 C ATOM 762 C LEU A 357 7.398 -11.433 -6.915 1.00 0.00 C ATOM 763 O LEU A 357 8.067 -12.373 -6.534 1.00 0.00 O ATOM 764 CB LEU A 357 5.218 -10.967 -5.780 1.00 0.00 C ATOM 765 CG LEU A 357 5.166 -12.364 -5.157 1.00 0.00 C ATOM 766 CD1 LEU A 357 5.614 -12.299 -3.694 1.00 0.00 C ATOM 767 CD2 LEU A 357 3.733 -12.898 -5.225 1.00 0.00 C ATOM 0 H LEU A 357 5.798 -8.694 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 357 7.168 -10.578 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 357 4.671 -10.260 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 357 4.731 -10.975 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 357 5.833 -13.027 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 357 5.575 -13.297 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 357 6.635 -11.920 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 357 4.952 -11.634 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 357 3.694 -13.893 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 357 3.069 -12.230 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 357 3.414 -12.952 -6.266 1.00 0.00 H new ATOM 779 N ALA A 358 7.269 -11.164 -8.184 1.00 0.00 N ATOM 780 CA ALA A 358 7.949 -12.015 -9.201 1.00 0.00 C ATOM 781 C ALA A 358 9.465 -11.934 -9.006 1.00 0.00 C ATOM 782 O ALA A 358 10.187 -12.871 -9.286 1.00 0.00 O ATOM 783 CB ALA A 358 7.588 -11.521 -10.603 1.00 0.00 C ATOM 0 H ALA A 358 6.721 -10.391 -8.562 1.00 0.00 H new ATOM 0 HA ALA A 358 7.624 -13.049 -9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 358 8.085 -12.143 -11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 358 6.509 -11.580 -10.743 1.00 0.00 H new ATOM 0 HB3 ALA A 358 7.913 -10.487 -10.719 1.00 0.00 H new ATOM 789 N GLN A 359 9.954 -10.821 -8.532 1.00 0.00 N ATOM 790 CA GLN A 359 11.423 -10.683 -8.322 1.00 0.00 C ATOM 791 C GLN A 359 11.908 -11.772 -7.366 1.00 0.00 C ATOM 792 O GLN A 359 13.003 -12.283 -7.494 1.00 0.00 O ATOM 793 CB GLN A 359 11.726 -9.307 -7.723 1.00 0.00 C ATOM 794 CG GLN A 359 11.343 -8.217 -8.725 1.00 0.00 C ATOM 795 CD GLN A 359 11.594 -6.841 -8.105 1.00 0.00 C ATOM 796 OE1 GLN A 359 11.761 -6.723 -6.907 1.00 0.00 O ATOM 797 NE2 GLN A 359 11.629 -5.787 -8.875 1.00 0.00 N ATOM 0 H GLN A 359 9.400 -10.002 -8.281 1.00 0.00 H new ATOM 0 HA GLN A 359 11.936 -10.785 -9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 359 11.171 -9.173 -6.794 1.00 0.00 H new ATOM 0 HB3 GLN A 359 12.785 -9.232 -7.475 1.00 0.00 H new ATOM 0 HG2 GLN A 359 11.927 -8.327 -9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 359 10.294 -8.316 -9.003 1.00 0.00 H new ATOM 0 HE21 GLN A 359 11.489 -5.885 -9.881 1.00 0.00 H new ATOM 0 HE22 GLN A 359 11.796 -4.866 -8.471 1.00 0.00 H new ATOM 806 N GLU A 360 11.101 -12.132 -6.406 1.00 0.00 N ATOM 807 CA GLU A 360 11.516 -13.189 -5.441 1.00 0.00 C ATOM 808 C GLU A 360 11.335 -14.565 -6.083 1.00 0.00 C ATOM 809 O GLU A 360 12.055 -15.474 -5.704 1.00 0.00 O ATOM 810 CB GLU A 360 10.654 -13.096 -4.180 1.00 0.00 C ATOM 811 CG GLU A 360 11.171 -14.084 -3.133 1.00 0.00 C ATOM 812 CD GLU A 360 10.249 -14.064 -1.912 1.00 0.00 C ATOM 813 OE1 GLU A 360 9.275 -13.331 -1.942 1.00 0.00 O ATOM 814 OE2 GLU A 360 10.535 -14.781 -0.968 1.00 0.00 O ATOM 815 OXT GLU A 360 10.478 -14.687 -6.943 1.00 0.00 O ATOM 0 H GLU A 360 10.173 -11.740 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 360 12.564 -13.047 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 360 10.681 -12.081 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 360 9.614 -13.316 -4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 360 11.212 -15.088 -3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 360 12.187 -13.820 -2.839 1.00 0.00 H new