USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=15 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 167:sc= -1.5 USER MOD Set 1.2: A 330 CYS SG : rot 55:sc= -4.02! USER MOD Set 1.3: A 353 CYS SG : rot 100:sc= 0.334 USER MOD Set 1.4: A 355 LYS NZ :NH3+ -134:sc= -0.683! (180deg=-0.0341) USER MOD Set 1.5: A 356 CYS SG : rot 32:sc= -3.38! USER MOD Set 2.1: A 317 SER OG : rot -108:sc= -0.548! USER MOD Set 2.2: A 319 ASN : amide:sc= -1.77! C(o=-2.3!,f=-9.5!) USER MOD Set 3.1: A 312 CYS SG : rot -140:sc= -1.59 USER MOD Set 3.2: A 315 CYS SG : rot -170:sc= 0.406 USER MOD Set 3.3: A 335 HIS : no HE2:sc= -5.47! C(o=-7.3!,f=-11!) USER MOD Set 3.4: A 338 CYS SG : rot 52:sc= -0.646 USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 333 SER OG : rot 150:sc= -1.72 USER MOD Single : A 334 TYR OH : rot -69:sc= 0.111 USER MOD Single : A 336 THR OG1 : rot -125:sc= -0.411! USER MOD Single : A 344 HIS : no HD1:sc= 0.0345 K(o=0.035,f=-0.57) USER MOD Single : A 348 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 309 2.327 13.748 3.194 1.00 0.00 N ATOM 42 CA LEU A 309 3.654 13.275 2.710 1.00 0.00 C ATOM 43 C LEU A 309 3.469 11.987 1.903 1.00 0.00 C ATOM 44 O LEU A 309 4.113 11.781 0.893 1.00 0.00 O ATOM 45 CB LEU A 309 4.565 13.000 3.910 1.00 0.00 C ATOM 46 CG LEU A 309 5.967 12.621 3.419 1.00 0.00 C ATOM 47 CD1 LEU A 309 6.651 13.846 2.804 1.00 0.00 C ATOM 48 CD2 LEU A 309 6.797 12.118 4.601 1.00 0.00 C ATOM 0 HA LEU A 309 4.107 14.039 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 309 4.619 13.882 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 309 4.151 12.194 4.516 1.00 0.00 H new ATOM 0 HG LEU A 309 5.886 11.838 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 309 7.647 13.571 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 309 6.061 14.208 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 309 6.733 14.632 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 309 7.795 11.847 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 309 6.874 12.904 5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 309 6.315 11.244 5.038 1.00 0.00 H new ATOM 60 N TYR A 310 2.589 11.126 2.341 1.00 0.00 N ATOM 61 CA TYR A 310 2.351 9.851 1.605 1.00 0.00 C ATOM 62 C TYR A 310 0.893 9.784 1.147 1.00 0.00 C ATOM 63 O TYR A 310 -0.022 9.952 1.928 1.00 0.00 O ATOM 64 CB TYR A 310 2.646 8.665 2.524 1.00 0.00 C ATOM 65 CG TYR A 310 4.115 8.326 2.462 1.00 0.00 C ATOM 66 CD1 TYR A 310 5.020 8.955 3.326 1.00 0.00 C ATOM 67 CD2 TYR A 310 4.572 7.380 1.538 1.00 0.00 C ATOM 68 CE1 TYR A 310 6.382 8.636 3.264 1.00 0.00 C ATOM 69 CE2 TYR A 310 5.932 7.060 1.476 1.00 0.00 C ATOM 70 CZ TYR A 310 6.839 7.688 2.340 1.00 0.00 C ATOM 71 OH TYR A 310 8.181 7.373 2.279 1.00 0.00 O ATOM 0 H TYR A 310 2.023 11.252 3.180 1.00 0.00 H new ATOM 0 HA TYR A 310 3.008 9.812 0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 310 2.362 8.907 3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 310 2.051 7.803 2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.668 9.685 4.039 1.00 0.00 H new ATOM 0 HD2 TYR A 310 3.873 6.896 0.872 1.00 0.00 H new ATOM 0 HE1 TYR A 310 7.081 9.121 3.929 1.00 0.00 H new ATOM 0 HE2 TYR A 310 6.283 6.329 0.763 1.00 0.00 H new ATOM 0 HH TYR A 310 8.327 6.697 1.585 1.00 0.00 H new ATOM 81 N VAL A 311 0.673 9.524 -0.114 1.00 0.00 N ATOM 82 CA VAL A 311 -0.723 9.429 -0.628 1.00 0.00 C ATOM 83 C VAL A 311 -0.855 8.159 -1.469 1.00 0.00 C ATOM 84 O VAL A 311 0.124 7.599 -1.921 1.00 0.00 O ATOM 85 CB VAL A 311 -1.046 10.652 -1.489 1.00 0.00 C ATOM 86 CG1 VAL A 311 -0.698 11.927 -0.721 1.00 0.00 C ATOM 87 CG2 VAL A 311 -0.235 10.598 -2.786 1.00 0.00 C ATOM 0 H VAL A 311 1.402 9.373 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 311 -1.420 9.394 0.209 1.00 0.00 H new ATOM 0 HB VAL A 311 -2.109 10.652 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 311 -0.929 12.797 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -1.281 11.968 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 311 0.364 11.927 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 311 -0.467 11.470 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 311 0.829 10.593 -2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 311 -0.488 9.692 -3.336 1.00 0.00 H new ATOM 97 N CYS A 312 -2.055 7.699 -1.686 1.00 0.00 N ATOM 98 CA CYS A 312 -2.240 6.467 -2.501 1.00 0.00 C ATOM 99 C CYS A 312 -2.122 6.826 -3.983 1.00 0.00 C ATOM 100 O CYS A 312 -2.920 7.562 -4.516 1.00 0.00 O ATOM 101 CB CYS A 312 -3.627 5.882 -2.221 1.00 0.00 C ATOM 102 SG CYS A 312 -3.863 4.371 -3.191 1.00 0.00 S ATOM 0 H CYS A 312 -2.914 8.122 -1.335 1.00 0.00 H new ATOM 0 HA CYS A 312 -1.478 5.731 -2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -3.732 5.663 -1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -4.397 6.611 -2.473 1.00 0.00 H new ATOM 0 HG CYS A 312 -5.078 4.337 -3.653 1.00 0.00 H new ATOM 107 N LEU A 313 -1.130 6.319 -4.657 1.00 0.00 N ATOM 108 CA LEU A 313 -0.979 6.649 -6.098 1.00 0.00 C ATOM 109 C LEU A 313 -2.234 6.201 -6.849 1.00 0.00 C ATOM 110 O LEU A 313 -2.678 6.843 -7.781 1.00 0.00 O ATOM 111 CB LEU A 313 0.241 5.916 -6.657 1.00 0.00 C ATOM 112 CG LEU A 313 1.486 6.299 -5.855 1.00 0.00 C ATOM 113 CD1 LEU A 313 2.717 5.636 -6.474 1.00 0.00 C ATOM 114 CD2 LEU A 313 1.664 7.819 -5.880 1.00 0.00 C ATOM 0 H LEU A 313 -0.421 5.694 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 313 -0.845 7.724 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 313 0.083 4.839 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 313 0.381 6.171 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 313 1.369 5.962 -4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 313 3.604 5.909 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 313 2.594 4.553 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 313 2.832 5.972 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 313 2.551 8.091 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 313 1.779 8.155 -6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 313 0.788 8.295 -5.439 1.00 0.00 H new ATOM 126 N LEU A 314 -2.805 5.100 -6.449 1.00 0.00 N ATOM 127 CA LEU A 314 -4.027 4.594 -7.130 1.00 0.00 C ATOM 128 C LEU A 314 -5.201 5.553 -6.909 1.00 0.00 C ATOM 129 O LEU A 314 -5.996 5.784 -7.798 1.00 0.00 O ATOM 130 CB LEU A 314 -4.373 3.226 -6.545 1.00 0.00 C ATOM 131 CG LEU A 314 -3.186 2.282 -6.737 1.00 0.00 C ATOM 132 CD1 LEU A 314 -3.532 0.913 -6.161 1.00 0.00 C ATOM 133 CD2 LEU A 314 -2.877 2.142 -8.230 1.00 0.00 C ATOM 0 H LEU A 314 -2.475 4.525 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 314 -3.841 4.517 -8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -4.611 3.320 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -5.258 2.821 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 314 -2.314 2.686 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -2.687 0.237 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -3.752 1.011 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -4.404 0.511 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -2.030 1.469 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -3.748 1.738 -8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -2.632 3.120 -8.644 1.00 0.00 H new ATOM 145 N CYS A 315 -5.319 6.103 -5.732 1.00 0.00 N ATOM 146 CA CYS A 315 -6.446 7.040 -5.449 1.00 0.00 C ATOM 147 C CYS A 315 -5.903 8.450 -5.212 1.00 0.00 C ATOM 148 O CYS A 315 -6.331 9.406 -5.828 1.00 0.00 O ATOM 149 CB CYS A 315 -7.186 6.571 -4.196 1.00 0.00 C ATOM 150 SG CYS A 315 -7.417 4.773 -4.256 1.00 0.00 S ATOM 0 H CYS A 315 -4.682 5.944 -4.951 1.00 0.00 H new ATOM 0 HA CYS A 315 -7.126 7.054 -6.301 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -6.621 6.845 -3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -8.153 7.069 -4.126 1.00 0.00 H new ATOM 0 HG CYS A 315 -8.222 4.407 -3.303 1.00 0.00 H new ATOM 155 N GLY A 316 -4.962 8.581 -4.320 1.00 0.00 N ATOM 156 CA GLY A 316 -4.379 9.920 -4.028 1.00 0.00 C ATOM 157 C GLY A 316 -5.128 10.563 -2.862 1.00 0.00 C ATOM 158 O GLY A 316 -5.458 11.732 -2.891 1.00 0.00 O ATOM 0 H GLY A 316 -4.569 7.812 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -3.321 9.822 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -4.445 10.556 -4.910 1.00 0.00 H new ATOM 162 N SER A 317 -5.396 9.803 -1.834 1.00 0.00 N ATOM 163 CA SER A 317 -6.122 10.357 -0.657 1.00 0.00 C ATOM 164 C SER A 317 -5.171 10.434 0.539 1.00 0.00 C ATOM 165 O SER A 317 -4.363 9.554 0.762 1.00 0.00 O ATOM 166 CB SER A 317 -7.303 9.449 -0.314 1.00 0.00 C ATOM 167 OG SER A 317 -8.051 10.031 0.745 1.00 0.00 O ATOM 0 H SER A 317 -5.142 8.818 -1.760 1.00 0.00 H new ATOM 0 HA SER A 317 -6.489 11.356 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 317 -7.937 9.312 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 317 -6.945 8.462 -0.022 1.00 0.00 H new ATOM 0 HG SER A 317 -7.913 9.514 1.566 1.00 0.00 H new ATOM 173 N GLY A 318 -5.258 11.486 1.308 1.00 0.00 N ATOM 174 CA GLY A 318 -4.358 11.632 2.489 1.00 0.00 C ATOM 175 C GLY A 318 -5.027 11.036 3.730 1.00 0.00 C ATOM 176 O GLY A 318 -4.405 10.342 4.507 1.00 0.00 O ATOM 0 H GLY A 318 -5.916 12.253 1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -3.410 11.129 2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -4.132 12.685 2.657 1.00 0.00 H new ATOM 180 N ASN A 319 -6.289 11.297 3.931 1.00 0.00 N ATOM 181 CA ASN A 319 -6.971 10.734 5.130 1.00 0.00 C ATOM 182 C ASN A 319 -6.799 9.216 5.131 1.00 0.00 C ATOM 183 O ASN A 319 -6.680 8.594 6.168 1.00 0.00 O ATOM 184 CB ASN A 319 -8.462 11.076 5.085 1.00 0.00 C ATOM 185 CG ASN A 319 -9.159 10.170 4.070 1.00 0.00 C ATOM 186 OD1 ASN A 319 -8.887 10.241 2.887 1.00 0.00 O ATOM 187 ND2 ASN A 319 -10.047 9.309 4.484 1.00 0.00 N ATOM 0 H ASN A 319 -6.873 11.871 3.323 1.00 0.00 H new ATOM 0 HA ASN A 319 -6.533 11.159 6.033 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -8.907 10.945 6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -8.599 12.122 4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -10.513 8.696 3.815 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -10.275 9.249 5.476 1.00 0.00 H new ATOM 194 N ASP A 320 -6.772 8.620 3.972 1.00 0.00 N ATOM 195 CA ASP A 320 -6.595 7.149 3.892 1.00 0.00 C ATOM 196 C ASP A 320 -5.149 6.807 4.256 1.00 0.00 C ATOM 197 O ASP A 320 -4.776 5.657 4.366 1.00 0.00 O ATOM 198 CB ASP A 320 -6.894 6.676 2.472 1.00 0.00 C ATOM 199 CG ASP A 320 -8.368 6.927 2.150 1.00 0.00 C ATOM 200 OD1 ASP A 320 -9.121 7.185 3.074 1.00 0.00 O ATOM 201 OD2 ASP A 320 -8.720 6.857 0.983 1.00 0.00 O ATOM 0 H ASP A 320 -6.866 9.094 3.074 1.00 0.00 H new ATOM 0 HA ASP A 320 -7.277 6.653 4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -6.260 7.205 1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -6.665 5.615 2.375 1.00 0.00 H new ATOM 206 N GLU A 321 -4.330 7.809 4.437 1.00 0.00 N ATOM 207 CA GLU A 321 -2.904 7.562 4.786 1.00 0.00 C ATOM 208 C GLU A 321 -2.824 6.622 5.989 1.00 0.00 C ATOM 209 O GLU A 321 -1.871 5.885 6.149 1.00 0.00 O ATOM 210 CB GLU A 321 -2.224 8.892 5.126 1.00 0.00 C ATOM 211 CG GLU A 321 -0.751 8.649 5.452 1.00 0.00 C ATOM 212 CD GLU A 321 -0.096 9.968 5.866 1.00 0.00 C ATOM 213 OE1 GLU A 321 -0.796 10.965 5.915 1.00 0.00 O ATOM 214 OE2 GLU A 321 1.097 9.958 6.124 1.00 0.00 O ATOM 0 H GLU A 321 -4.591 8.792 4.357 1.00 0.00 H new ATOM 0 HA GLU A 321 -2.398 7.102 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -2.312 9.581 4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -2.722 9.359 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.661 7.918 6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -0.239 8.233 4.584 1.00 0.00 H new ATOM 221 N ASP A 322 -3.812 6.639 6.837 1.00 0.00 N ATOM 222 CA ASP A 322 -3.787 5.747 8.025 1.00 0.00 C ATOM 223 C ASP A 322 -3.682 4.286 7.577 1.00 0.00 C ATOM 224 O ASP A 322 -3.014 3.486 8.201 1.00 0.00 O ATOM 225 CB ASP A 322 -5.073 5.945 8.827 1.00 0.00 C ATOM 226 CG ASP A 322 -5.086 7.348 9.435 1.00 0.00 C ATOM 227 OD1 ASP A 322 -4.049 7.992 9.413 1.00 0.00 O ATOM 228 OD2 ASP A 322 -6.132 7.756 9.913 1.00 0.00 O ATOM 0 H ASP A 322 -4.637 7.234 6.758 1.00 0.00 H new ATOM 0 HA ASP A 322 -2.924 5.992 8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -5.941 5.809 8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -5.141 5.195 9.615 1.00 0.00 H new ATOM 233 N ARG A 323 -4.342 3.929 6.504 1.00 0.00 N ATOM 234 CA ARG A 323 -4.286 2.517 6.023 1.00 0.00 C ATOM 235 C ARG A 323 -3.466 2.421 4.733 1.00 0.00 C ATOM 236 O ARG A 323 -3.401 1.381 4.109 1.00 0.00 O ATOM 237 CB ARG A 323 -5.704 2.005 5.770 1.00 0.00 C ATOM 238 CG ARG A 323 -6.481 1.998 7.088 1.00 0.00 C ATOM 239 CD ARG A 323 -7.827 1.303 6.887 1.00 0.00 C ATOM 240 NE ARG A 323 -8.679 1.516 8.091 1.00 0.00 N ATOM 241 CZ ARG A 323 -9.214 2.685 8.314 1.00 0.00 C ATOM 242 NH1 ARG A 323 -8.999 3.669 7.484 1.00 0.00 N ATOM 243 NH2 ARG A 323 -9.961 2.871 9.366 1.00 0.00 N ATOM 0 H ARG A 323 -4.917 4.555 5.941 1.00 0.00 H new ATOM 0 HA ARG A 323 -3.807 1.906 6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -6.208 2.640 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -5.671 1.000 5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -5.906 1.483 7.858 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -6.636 3.019 7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -8.324 1.699 6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -7.677 0.237 6.718 1.00 0.00 H new ATOM 0 HE ARG A 323 -8.844 0.748 8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -8.413 3.524 6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -9.417 4.583 7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -10.128 2.102 10.016 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -10.379 3.785 9.540 1.00 0.00 H new ATOM 257 N LEU A 324 -2.834 3.487 4.328 1.00 0.00 N ATOM 258 CA LEU A 324 -2.017 3.436 3.083 1.00 0.00 C ATOM 259 C LEU A 324 -0.784 2.567 3.339 1.00 0.00 C ATOM 260 O LEU A 324 -0.057 2.766 4.292 1.00 0.00 O ATOM 261 CB LEU A 324 -1.600 4.857 2.700 1.00 0.00 C ATOM 262 CG LEU A 324 -0.668 4.832 1.488 1.00 0.00 C ATOM 263 CD1 LEU A 324 -1.310 4.026 0.361 1.00 0.00 C ATOM 264 CD2 LEU A 324 -0.428 6.267 1.012 1.00 0.00 C ATOM 0 H LEU A 324 -2.847 4.389 4.804 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.594 3.006 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.484 5.454 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -1.099 5.335 3.542 1.00 0.00 H new ATOM 0 HG LEU A 324 0.279 4.370 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -0.643 4.010 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -1.489 3.006 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -2.257 4.486 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 324 0.236 6.257 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -1.379 6.722 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 324 0.030 6.845 1.815 1.00 0.00 H new ATOM 276 N LEU A 325 -0.564 1.584 2.509 1.00 0.00 N ATOM 277 CA LEU A 325 0.596 0.673 2.715 1.00 0.00 C ATOM 278 C LEU A 325 1.716 0.989 1.719 1.00 0.00 C ATOM 279 O LEU A 325 1.488 1.136 0.534 1.00 0.00 O ATOM 280 CB LEU A 325 0.131 -0.769 2.504 1.00 0.00 C ATOM 281 CG LEU A 325 1.250 -1.742 2.883 1.00 0.00 C ATOM 282 CD1 LEU A 325 1.150 -2.083 4.370 1.00 0.00 C ATOM 283 CD2 LEU A 325 1.108 -3.019 2.054 1.00 0.00 C ATOM 0 H LEU A 325 -1.140 1.373 1.694 1.00 0.00 H new ATOM 0 HA LEU A 325 0.980 0.809 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.754 -0.966 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.155 -0.919 1.463 1.00 0.00 H new ATOM 0 HG LEU A 325 2.218 -1.282 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 325 1.947 -2.776 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 325 1.247 -1.171 4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.184 -2.545 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 325 1.903 -3.716 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.140 -3.478 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 325 1.179 -2.775 0.994 1.00 0.00 H new ATOM 295 N LEU A 326 2.930 1.066 2.194 1.00 0.00 N ATOM 296 CA LEU A 326 4.079 1.338 1.287 1.00 0.00 C ATOM 297 C LEU A 326 4.731 0.003 0.920 1.00 0.00 C ATOM 298 O LEU A 326 5.010 -0.813 1.775 1.00 0.00 O ATOM 299 CB LEU A 326 5.100 2.224 2.011 1.00 0.00 C ATOM 300 CG LEU A 326 6.253 2.579 1.063 1.00 0.00 C ATOM 301 CD1 LEU A 326 5.787 3.617 0.040 1.00 0.00 C ATOM 302 CD2 LEU A 326 7.414 3.156 1.876 1.00 0.00 C ATOM 0 H LEU A 326 3.175 0.951 3.177 1.00 0.00 H new ATOM 0 HA LEU A 326 3.737 1.849 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 326 4.617 3.134 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 326 5.486 1.705 2.888 1.00 0.00 H new ATOM 0 HG LEU A 326 6.577 1.680 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 326 6.611 3.864 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 326 4.958 3.210 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 326 5.459 4.518 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 326 8.236 3.410 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 326 7.082 4.053 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 326 7.752 2.417 2.602 1.00 0.00 H new ATOM 314 N CYS A 327 4.971 -0.238 -0.340 1.00 0.00 N ATOM 315 CA CYS A 327 5.598 -1.530 -0.733 1.00 0.00 C ATOM 316 C CYS A 327 7.110 -1.445 -0.561 1.00 0.00 C ATOM 317 O CYS A 327 7.764 -0.609 -1.154 1.00 0.00 O ATOM 318 CB CYS A 327 5.294 -1.845 -2.200 1.00 0.00 C ATOM 319 SG CYS A 327 6.414 -3.155 -2.764 1.00 0.00 S ATOM 0 H CYS A 327 4.762 0.399 -1.109 1.00 0.00 H new ATOM 0 HA CYS A 327 5.190 -2.316 -0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 327 4.257 -2.162 -2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 327 5.421 -0.952 -2.811 1.00 0.00 H new ATOM 0 HG CYS A 327 5.999 -3.620 -3.905 1.00 0.00 H new ATOM 324 N ASP A 328 7.674 -2.315 0.231 1.00 0.00 N ATOM 325 CA ASP A 328 9.148 -2.294 0.417 1.00 0.00 C ATOM 326 C ASP A 328 9.808 -2.570 -0.933 1.00 0.00 C ATOM 327 O ASP A 328 10.813 -1.982 -1.279 1.00 0.00 O ATOM 328 CB ASP A 328 9.557 -3.374 1.420 1.00 0.00 C ATOM 329 CG ASP A 328 9.008 -3.021 2.804 1.00 0.00 C ATOM 330 OD1 ASP A 328 8.570 -1.895 2.975 1.00 0.00 O ATOM 331 OD2 ASP A 328 9.035 -3.882 3.667 1.00 0.00 O ATOM 0 H ASP A 328 7.178 -3.036 0.755 1.00 0.00 H new ATOM 0 HA ASP A 328 9.464 -1.323 0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 328 9.174 -4.344 1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 328 10.643 -3.457 1.458 1.00 0.00 H new ATOM 336 N GLY A 329 9.237 -3.459 -1.703 1.00 0.00 N ATOM 337 CA GLY A 329 9.817 -3.772 -3.039 1.00 0.00 C ATOM 338 C GLY A 329 9.831 -2.504 -3.893 1.00 0.00 C ATOM 339 O GLY A 329 10.761 -2.249 -4.633 1.00 0.00 O ATOM 0 H GLY A 329 8.394 -3.981 -1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 329 10.829 -4.160 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 329 9.231 -4.549 -3.530 1.00 0.00 H new ATOM 343 N CYS A 330 8.805 -1.705 -3.791 1.00 0.00 N ATOM 344 CA CYS A 330 8.751 -0.447 -4.587 1.00 0.00 C ATOM 345 C CYS A 330 8.163 0.671 -3.729 1.00 0.00 C ATOM 346 O CYS A 330 7.205 0.477 -3.015 1.00 0.00 O ATOM 347 CB CYS A 330 7.862 -0.651 -5.816 1.00 0.00 C ATOM 348 SG CYS A 330 7.785 -2.410 -6.226 1.00 0.00 S ATOM 0 H CYS A 330 7.999 -1.870 -3.188 1.00 0.00 H new ATOM 0 HA CYS A 330 9.759 -0.181 -4.905 1.00 0.00 H new ATOM 0 HB2 CYS A 330 6.860 -0.269 -5.620 1.00 0.00 H new ATOM 0 HB3 CYS A 330 8.258 -0.088 -6.661 1.00 0.00 H new ATOM 0 HG CYS A 330 7.386 -3.081 -5.186 1.00 0.00 H new ATOM 353 N ASP A 331 8.711 1.847 -3.808 1.00 0.00 N ATOM 354 CA ASP A 331 8.167 2.974 -3.000 1.00 0.00 C ATOM 355 C ASP A 331 6.708 3.226 -3.390 1.00 0.00 C ATOM 356 O ASP A 331 6.131 4.238 -3.043 1.00 0.00 O ATOM 357 CB ASP A 331 8.992 4.236 -3.264 1.00 0.00 C ATOM 358 CG ASP A 331 10.409 4.043 -2.722 1.00 0.00 C ATOM 359 OD1 ASP A 331 10.618 3.090 -1.989 1.00 0.00 O ATOM 360 OD2 ASP A 331 11.262 4.851 -3.048 1.00 0.00 O ATOM 0 H ASP A 331 9.512 2.079 -4.396 1.00 0.00 H new ATOM 0 HA ASP A 331 8.220 2.720 -1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 331 9.026 4.444 -4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 331 8.523 5.096 -2.787 1.00 0.00 H new ATOM 365 N ASP A 332 6.107 2.320 -4.116 1.00 0.00 N ATOM 366 CA ASP A 332 4.690 2.517 -4.533 1.00 0.00 C ATOM 367 C ASP A 332 3.771 2.307 -3.331 1.00 0.00 C ATOM 368 O ASP A 332 3.877 1.325 -2.623 1.00 0.00 O ATOM 369 CB ASP A 332 4.336 1.509 -5.628 1.00 0.00 C ATOM 370 CG ASP A 332 2.935 1.807 -6.164 1.00 0.00 C ATOM 371 OD1 ASP A 332 2.368 2.808 -5.759 1.00 0.00 O ATOM 372 OD2 ASP A 332 2.452 1.029 -6.970 1.00 0.00 O ATOM 0 H ASP A 332 6.537 1.453 -4.437 1.00 0.00 H new ATOM 0 HA ASP A 332 4.561 3.529 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 332 5.065 1.564 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 332 4.376 0.495 -5.230 1.00 0.00 H new ATOM 377 N SER A 333 2.875 3.227 -3.090 1.00 0.00 N ATOM 378 CA SER A 333 1.956 3.086 -1.927 1.00 0.00 C ATOM 379 C SER A 333 0.528 2.839 -2.415 1.00 0.00 C ATOM 380 O SER A 333 0.081 3.414 -3.388 1.00 0.00 O ATOM 381 CB SER A 333 1.981 4.375 -1.109 1.00 0.00 C ATOM 382 OG SER A 333 3.323 4.684 -0.761 1.00 0.00 O ATOM 0 H SER A 333 2.741 4.069 -3.649 1.00 0.00 H new ATOM 0 HA SER A 333 2.281 2.244 -1.316 1.00 0.00 H new ATOM 0 HB2 SER A 333 1.545 5.192 -1.683 1.00 0.00 H new ATOM 0 HB3 SER A 333 1.377 4.260 -0.209 1.00 0.00 H new ATOM 0 HG SER A 333 3.426 5.656 -0.686 1.00 0.00 H new ATOM 388 N TYR A 334 -0.195 1.995 -1.731 1.00 0.00 N ATOM 389 CA TYR A 334 -1.601 1.713 -2.130 1.00 0.00 C ATOM 390 C TYR A 334 -2.403 1.305 -0.894 1.00 0.00 C ATOM 391 O TYR A 334 -1.853 0.841 0.085 1.00 0.00 O ATOM 392 CB TYR A 334 -1.634 0.590 -3.166 1.00 0.00 C ATOM 393 CG TYR A 334 -0.662 -0.497 -2.780 1.00 0.00 C ATOM 394 CD1 TYR A 334 -0.915 -1.303 -1.666 1.00 0.00 C ATOM 395 CD2 TYR A 334 0.491 -0.702 -3.546 1.00 0.00 C ATOM 396 CE1 TYR A 334 -0.014 -2.315 -1.316 1.00 0.00 C ATOM 397 CE2 TYR A 334 1.393 -1.715 -3.198 1.00 0.00 C ATOM 398 CZ TYR A 334 1.140 -2.522 -2.081 1.00 0.00 C ATOM 399 OH TYR A 334 2.027 -3.521 -1.737 1.00 0.00 O ATOM 0 H TYR A 334 0.130 1.487 -0.909 1.00 0.00 H new ATOM 0 HA TYR A 334 -2.040 2.609 -2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.641 0.180 -3.238 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -1.380 0.984 -4.150 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -1.805 -1.145 -1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 334 0.685 -0.079 -4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -0.209 -2.937 -0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 334 2.282 -1.874 -3.790 1.00 0.00 H new ATOM 0 HH TYR A 334 2.475 -3.286 -0.898 1.00 0.00 H new ATOM 409 N HIS A 335 -3.696 1.473 -0.923 1.00 0.00 N ATOM 410 CA HIS A 335 -4.513 1.093 0.259 1.00 0.00 C ATOM 411 C HIS A 335 -4.579 -0.430 0.368 1.00 0.00 C ATOM 412 O HIS A 335 -4.419 -1.142 -0.604 1.00 0.00 O ATOM 413 CB HIS A 335 -5.928 1.651 0.115 1.00 0.00 C ATOM 414 CG HIS A 335 -5.870 3.151 0.060 1.00 0.00 C ATOM 415 ND1 HIS A 335 -6.515 3.884 -0.928 1.00 0.00 N ATOM 416 CD2 HIS A 335 -5.255 4.073 0.871 1.00 0.00 C ATOM 417 CE1 HIS A 335 -6.277 5.185 -0.682 1.00 0.00 C ATOM 418 NE2 HIS A 335 -5.514 5.351 0.398 1.00 0.00 N ATOM 0 H HIS A 335 -4.219 1.855 -1.711 1.00 0.00 H new ATOM 0 HA HIS A 335 -4.053 1.505 1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.394 1.261 -0.790 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.544 1.331 0.955 1.00 0.00 H new ATOM 0 HD1 HIS A 335 -7.067 3.506 -1.698 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -4.661 3.839 1.742 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -6.658 5.996 -1.286 1.00 0.00 H new ATOM 426 N THR A 336 -4.804 -0.931 1.547 1.00 0.00 N ATOM 427 CA THR A 336 -4.872 -2.403 1.736 1.00 0.00 C ATOM 428 C THR A 336 -6.159 -2.955 1.118 1.00 0.00 C ATOM 429 O THR A 336 -6.306 -4.150 0.953 1.00 0.00 O ATOM 430 CB THR A 336 -4.852 -2.712 3.237 1.00 0.00 C ATOM 431 OG1 THR A 336 -5.525 -3.939 3.476 1.00 0.00 O ATOM 432 CG2 THR A 336 -5.552 -1.589 4.001 1.00 0.00 C ATOM 0 H THR A 336 -4.945 -0.380 2.394 1.00 0.00 H new ATOM 0 HA THR A 336 -4.018 -2.871 1.246 1.00 0.00 H new ATOM 0 HB THR A 336 -3.819 -2.791 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 336 -6.238 -3.798 4.133 1.00 0.00 H new ATOM 0 HG21 THR A 336 -5.537 -1.810 5.068 1.00 0.00 H new ATOM 0 HG22 THR A 336 -5.035 -0.647 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 336 -6.585 -1.507 3.662 1.00 0.00 H new ATOM 440 N PHE A 337 -7.101 -2.103 0.794 1.00 0.00 N ATOM 441 CA PHE A 337 -8.384 -2.597 0.211 1.00 0.00 C ATOM 442 C PHE A 337 -8.604 -2.052 -1.208 1.00 0.00 C ATOM 443 O PHE A 337 -9.626 -2.311 -1.811 1.00 0.00 O ATOM 444 CB PHE A 337 -9.542 -2.136 1.097 1.00 0.00 C ATOM 445 CG PHE A 337 -9.675 -0.636 0.998 1.00 0.00 C ATOM 446 CD1 PHE A 337 -8.927 0.191 1.844 1.00 0.00 C ATOM 447 CD2 PHE A 337 -10.542 -0.073 0.054 1.00 0.00 C ATOM 448 CE1 PHE A 337 -9.047 1.583 1.746 1.00 0.00 C ATOM 449 CE2 PHE A 337 -10.662 1.318 -0.043 1.00 0.00 C ATOM 450 CZ PHE A 337 -9.914 2.146 0.803 1.00 0.00 C ATOM 0 H PHE A 337 -7.036 -1.091 0.908 1.00 0.00 H new ATOM 0 HA PHE A 337 -8.338 -3.685 0.160 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -10.469 -2.617 0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -9.364 -2.430 2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -8.258 -0.244 2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -11.118 -0.712 -0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -8.470 2.222 2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -11.332 1.753 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 337 -10.006 3.219 0.728 1.00 0.00 H new ATOM 460 N CYS A 338 -7.674 -1.302 -1.751 1.00 0.00 N ATOM 461 CA CYS A 338 -7.879 -0.756 -3.133 1.00 0.00 C ATOM 462 C CYS A 338 -6.816 -1.301 -4.090 1.00 0.00 C ATOM 463 O CYS A 338 -6.475 -0.670 -5.071 1.00 0.00 O ATOM 464 CB CYS A 338 -7.823 0.779 -3.103 1.00 0.00 C ATOM 465 SG CYS A 338 -6.125 1.354 -3.374 1.00 0.00 S ATOM 0 H CYS A 338 -6.793 -1.046 -1.305 1.00 0.00 H new ATOM 0 HA CYS A 338 -8.860 -1.071 -3.490 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -8.479 1.188 -3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -8.189 1.144 -2.143 1.00 0.00 H new ATOM 0 HG CYS A 338 -5.644 0.798 -4.446 1.00 0.00 H new ATOM 470 N LEU A 339 -6.303 -2.478 -3.831 1.00 0.00 N ATOM 471 CA LEU A 339 -5.278 -3.062 -4.750 1.00 0.00 C ATOM 472 C LEU A 339 -4.917 -4.481 -4.306 1.00 0.00 C ATOM 473 O LEU A 339 -4.709 -5.360 -5.120 1.00 0.00 O ATOM 474 CB LEU A 339 -4.009 -2.206 -4.732 1.00 0.00 C ATOM 475 CG LEU A 339 -3.048 -2.695 -5.822 1.00 0.00 C ATOM 476 CD1 LEU A 339 -3.561 -2.272 -7.204 1.00 0.00 C ATOM 477 CD2 LEU A 339 -1.663 -2.090 -5.589 1.00 0.00 C ATOM 0 H LEU A 339 -6.548 -3.057 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 339 -5.695 -3.086 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -4.261 -1.159 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -3.530 -2.268 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 339 -2.987 -3.782 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -2.872 -2.624 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -4.546 -2.706 -7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -3.630 -1.185 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -0.979 -2.437 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -1.730 -1.003 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -1.291 -2.398 -4.612 1.00 0.00 H new ATOM 489 N ILE A 340 -4.815 -4.701 -3.028 1.00 0.00 N ATOM 490 CA ILE A 340 -4.438 -6.047 -2.524 1.00 0.00 C ATOM 491 C ILE A 340 -5.634 -6.690 -1.813 1.00 0.00 C ATOM 492 O ILE A 340 -6.464 -6.003 -1.250 1.00 0.00 O ATOM 493 CB ILE A 340 -3.270 -5.866 -1.553 1.00 0.00 C ATOM 494 CG1 ILE A 340 -3.755 -5.127 -0.302 1.00 0.00 C ATOM 495 CG2 ILE A 340 -2.175 -5.042 -2.233 1.00 0.00 C ATOM 496 CD1 ILE A 340 -2.568 -4.859 0.627 1.00 0.00 C ATOM 0 H ILE A 340 -4.978 -4.000 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 340 -4.145 -6.701 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 340 -2.876 -6.842 -1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -4.229 -4.187 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -4.508 -5.722 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -1.339 -4.910 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -1.831 -5.562 -3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -2.574 -4.067 -2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -2.914 -4.333 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -2.113 -5.806 0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -1.830 -4.247 0.108 1.00 0.00 H new ATOM 508 N PRO A 341 -5.730 -8.002 -1.833 1.00 0.00 N ATOM 509 CA PRO A 341 -6.847 -8.723 -1.173 1.00 0.00 C ATOM 510 C PRO A 341 -7.140 -8.169 0.229 1.00 0.00 C ATOM 511 O PRO A 341 -8.273 -7.854 0.534 1.00 0.00 O ATOM 512 CB PRO A 341 -6.403 -10.191 -1.112 1.00 0.00 C ATOM 513 CG PRO A 341 -5.075 -10.280 -1.809 1.00 0.00 C ATOM 514 CD PRO A 341 -4.794 -8.932 -2.477 1.00 0.00 C ATOM 0 HA PRO A 341 -7.777 -8.603 -1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -6.318 -10.525 -0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -7.136 -10.836 -1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -4.287 -10.522 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -5.089 -11.077 -2.552 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -3.760 -8.622 -2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -4.959 -8.980 -3.553 1.00 0.00 H new ATOM 522 N PRO A 342 -6.139 -8.025 1.076 1.00 0.00 N ATOM 523 CA PRO A 342 -6.331 -7.468 2.437 1.00 0.00 C ATOM 524 C PRO A 342 -7.413 -6.380 2.468 1.00 0.00 C ATOM 525 O PRO A 342 -7.787 -5.835 1.449 1.00 0.00 O ATOM 526 CB PRO A 342 -4.962 -6.879 2.762 1.00 0.00 C ATOM 527 CG PRO A 342 -3.978 -7.728 2.025 1.00 0.00 C ATOM 528 CD PRO A 342 -4.722 -8.385 0.857 1.00 0.00 C ATOM 0 HA PRO A 342 -6.667 -8.219 3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -4.897 -5.838 2.445 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -4.771 -6.898 3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -3.148 -7.124 1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -3.555 -8.485 2.685 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -4.361 -8.015 -0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -4.582 -9.466 0.854 1.00 0.00 H new ATOM 536 N LEU A 343 -7.922 -6.067 3.631 1.00 0.00 N ATOM 537 CA LEU A 343 -8.987 -5.028 3.730 1.00 0.00 C ATOM 538 C LEU A 343 -8.554 -3.919 4.689 1.00 0.00 C ATOM 539 O LEU A 343 -7.422 -3.483 4.683 1.00 0.00 O ATOM 540 CB LEU A 343 -10.273 -5.672 4.253 1.00 0.00 C ATOM 541 CG LEU A 343 -10.669 -6.843 3.352 1.00 0.00 C ATOM 542 CD1 LEU A 343 -11.956 -7.480 3.880 1.00 0.00 C ATOM 543 CD2 LEU A 343 -10.906 -6.334 1.928 1.00 0.00 C ATOM 0 H LEU A 343 -7.645 -6.488 4.518 1.00 0.00 H new ATOM 0 HA LEU A 343 -9.159 -4.599 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -10.126 -6.021 5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -11.075 -4.934 4.280 1.00 0.00 H new ATOM 0 HG LEU A 343 -9.869 -7.583 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -12.239 -8.315 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -11.793 -7.842 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -12.754 -6.738 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -11.188 -7.168 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -11.706 -5.594 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -9.992 -5.877 1.548 1.00 0.00 H new ATOM 555 N HIS A 344 -9.456 -3.455 5.509 1.00 0.00 N ATOM 556 CA HIS A 344 -9.111 -2.367 6.465 1.00 0.00 C ATOM 557 C HIS A 344 -7.874 -2.759 7.274 1.00 0.00 C ATOM 558 O HIS A 344 -7.060 -1.926 7.622 1.00 0.00 O ATOM 559 CB HIS A 344 -10.287 -2.135 7.416 1.00 0.00 C ATOM 560 CG HIS A 344 -11.478 -1.653 6.632 1.00 0.00 C ATOM 561 ND1 HIS A 344 -12.432 -2.526 6.126 1.00 0.00 N ATOM 562 CD2 HIS A 344 -11.883 -0.395 6.259 1.00 0.00 C ATOM 563 CE1 HIS A 344 -13.356 -1.787 5.483 1.00 0.00 C ATOM 564 NE2 HIS A 344 -13.066 -0.485 5.535 1.00 0.00 N ATOM 0 H HIS A 344 -10.420 -3.784 5.558 1.00 0.00 H new ATOM 0 HA HIS A 344 -8.902 -1.453 5.909 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -10.533 -3.059 7.940 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -10.016 -1.401 8.174 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -11.363 0.522 6.492 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -14.224 -2.197 4.987 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -13.601 0.283 5.129 1.00 0.00 H new ATOM 573 N ASP A 345 -7.727 -4.016 7.586 1.00 0.00 N ATOM 574 CA ASP A 345 -6.546 -4.453 8.381 1.00 0.00 C ATOM 575 C ASP A 345 -5.346 -4.671 7.456 1.00 0.00 C ATOM 576 O ASP A 345 -5.368 -5.512 6.579 1.00 0.00 O ATOM 577 CB ASP A 345 -6.875 -5.759 9.106 1.00 0.00 C ATOM 578 CG ASP A 345 -5.714 -6.139 10.027 1.00 0.00 C ATOM 579 OD1 ASP A 345 -4.798 -5.343 10.152 1.00 0.00 O ATOM 580 OD2 ASP A 345 -5.760 -7.219 10.592 1.00 0.00 O ATOM 0 H ASP A 345 -8.374 -4.760 7.325 1.00 0.00 H new ATOM 0 HA ASP A 345 -6.300 -3.681 9.110 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -7.791 -5.644 9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -7.054 -6.554 8.382 1.00 0.00 H new ATOM 585 N VAL A 346 -4.297 -3.920 7.650 1.00 0.00 N ATOM 586 CA VAL A 346 -3.089 -4.078 6.793 1.00 0.00 C ATOM 587 C VAL A 346 -2.353 -5.368 7.184 1.00 0.00 C ATOM 588 O VAL A 346 -2.330 -5.739 8.341 1.00 0.00 O ATOM 589 CB VAL A 346 -2.163 -2.878 6.996 1.00 0.00 C ATOM 590 CG1 VAL A 346 -2.648 -1.707 6.139 1.00 0.00 C ATOM 591 CG2 VAL A 346 -2.176 -2.470 8.471 1.00 0.00 C ATOM 0 H VAL A 346 -4.225 -3.200 8.369 1.00 0.00 H new ATOM 0 HA VAL A 346 -3.387 -4.133 5.746 1.00 0.00 H new ATOM 0 HB VAL A 346 -1.149 -3.147 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -1.988 -0.852 6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -2.640 -1.997 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -3.662 -1.436 6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 346 -1.516 -1.615 8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -3.190 -2.201 8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -1.830 -3.304 9.082 1.00 0.00 H new ATOM 601 N PRO A 347 -1.760 -6.055 6.235 1.00 0.00 N ATOM 602 CA PRO A 347 -1.027 -7.325 6.511 1.00 0.00 C ATOM 603 C PRO A 347 0.110 -7.128 7.520 1.00 0.00 C ATOM 604 O PRO A 347 0.758 -6.101 7.548 1.00 0.00 O ATOM 605 CB PRO A 347 -0.467 -7.754 5.149 1.00 0.00 C ATOM 606 CG PRO A 347 -0.585 -6.564 4.254 1.00 0.00 C ATOM 607 CD PRO A 347 -1.714 -5.698 4.810 1.00 0.00 C ATOM 0 HA PRO A 347 -1.685 -8.073 6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 347 0.572 -8.072 5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -1.026 -8.599 4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 347 0.351 -6.007 4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -0.802 -6.871 3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -1.510 -4.636 4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -2.661 -5.909 4.314 1.00 0.00 H new ATOM 615 N LYS A 348 0.351 -8.104 8.353 1.00 0.00 N ATOM 616 CA LYS A 348 1.439 -7.973 9.365 1.00 0.00 C ATOM 617 C LYS A 348 2.763 -7.741 8.647 1.00 0.00 C ATOM 618 O LYS A 348 3.567 -6.920 9.040 1.00 0.00 O ATOM 619 CB LYS A 348 1.537 -9.270 10.163 1.00 0.00 C ATOM 620 CG LYS A 348 0.173 -9.590 10.760 1.00 0.00 C ATOM 621 CD LYS A 348 0.286 -10.809 11.678 1.00 0.00 C ATOM 622 CE LYS A 348 -1.107 -11.207 12.172 1.00 0.00 C ATOM 623 NZ LYS A 348 -0.989 -11.897 13.488 1.00 0.00 N ATOM 0 H LYS A 348 -0.159 -8.987 8.377 1.00 0.00 H new ATOM 0 HA LYS A 348 1.223 -7.138 10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 348 1.866 -10.085 9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 348 2.280 -9.170 10.954 1.00 0.00 H new ATOM 0 HG2 LYS A 348 -0.199 -8.733 11.321 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -0.546 -9.787 9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 348 0.745 -11.640 11.142 1.00 0.00 H new ATOM 0 HD3 LYS A 348 0.933 -10.581 12.525 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -1.737 -10.323 12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -1.588 -11.864 11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -1.935 -12.168 13.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -0.402 -12.749 13.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -0.547 -11.256 14.178 1.00 0.00 H new ATOM 637 N GLY A 349 2.989 -8.469 7.596 1.00 0.00 N ATOM 638 CA GLY A 349 4.261 -8.310 6.835 1.00 0.00 C ATOM 639 C GLY A 349 4.109 -7.189 5.810 1.00 0.00 C ATOM 640 O GLY A 349 3.044 -6.630 5.637 1.00 0.00 O ATOM 0 H GLY A 349 2.348 -9.171 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 349 5.079 -8.083 7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 349 4.515 -9.243 6.333 1.00 0.00 H new ATOM 644 N ASP A 350 5.165 -6.864 5.120 1.00 0.00 N ATOM 645 CA ASP A 350 5.082 -5.788 4.096 1.00 0.00 C ATOM 646 C ASP A 350 4.547 -6.387 2.796 1.00 0.00 C ATOM 647 O ASP A 350 5.148 -7.270 2.218 1.00 0.00 O ATOM 648 CB ASP A 350 6.474 -5.200 3.855 1.00 0.00 C ATOM 649 CG ASP A 350 6.369 -4.009 2.901 1.00 0.00 C ATOM 650 OD1 ASP A 350 6.081 -2.921 3.372 1.00 0.00 O ATOM 651 OD2 ASP A 350 6.577 -4.205 1.716 1.00 0.00 O ATOM 0 H ASP A 350 6.083 -7.298 5.221 1.00 0.00 H new ATOM 0 HA ASP A 350 4.416 -4.997 4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 350 6.915 -4.884 4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 350 7.133 -5.959 3.434 1.00 0.00 H new ATOM 656 N TRP A 351 3.422 -5.920 2.331 1.00 0.00 N ATOM 657 CA TRP A 351 2.861 -6.479 1.074 1.00 0.00 C ATOM 658 C TRP A 351 3.636 -5.916 -0.111 1.00 0.00 C ATOM 659 O TRP A 351 3.969 -4.748 -0.159 1.00 0.00 O ATOM 660 CB TRP A 351 1.385 -6.106 0.939 1.00 0.00 C ATOM 661 CG TRP A 351 0.744 -6.991 -0.081 1.00 0.00 C ATOM 662 CD1 TRP A 351 0.559 -6.670 -1.382 1.00 0.00 C ATOM 663 CD2 TRP A 351 0.202 -8.333 0.089 1.00 0.00 C ATOM 664 NE1 TRP A 351 -0.063 -7.727 -2.021 1.00 0.00 N ATOM 665 CE2 TRP A 351 -0.304 -8.776 -1.156 1.00 0.00 C ATOM 666 CE3 TRP A 351 0.099 -9.200 1.193 1.00 0.00 C ATOM 667 CZ2 TRP A 351 -0.889 -10.034 -1.302 1.00 0.00 C ATOM 668 CZ3 TRP A 351 -0.489 -10.467 1.049 1.00 0.00 C ATOM 669 CH2 TRP A 351 -0.983 -10.883 -0.196 1.00 0.00 C ATOM 0 H TRP A 351 2.871 -5.180 2.765 1.00 0.00 H new ATOM 0 HA TRP A 351 2.948 -7.565 1.096 1.00 0.00 H new ATOM 0 HB2 TRP A 351 0.881 -6.214 1.900 1.00 0.00 H new ATOM 0 HB3 TRP A 351 1.287 -5.061 0.644 1.00 0.00 H new ATOM 0 HD1 TRP A 351 0.850 -5.739 -1.846 1.00 0.00 H new ATOM 0 HE1 TRP A 351 -0.313 -7.731 -3.010 1.00 0.00 H new ATOM 0 HE3 TRP A 351 0.474 -8.889 2.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 -1.267 -10.350 -2.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 -0.561 -11.125 1.902 1.00 0.00 H new ATOM 0 HH2 TRP A 351 -1.435 -11.858 -0.300 1.00 0.00 H new ATOM 680 N ARG A 352 3.932 -6.748 -1.060 1.00 0.00 N ATOM 681 CA ARG A 352 4.695 -6.304 -2.252 1.00 0.00 C ATOM 682 C ARG A 352 3.817 -6.454 -3.490 1.00 0.00 C ATOM 683 O ARG A 352 3.133 -7.444 -3.660 1.00 0.00 O ATOM 684 CB ARG A 352 5.933 -7.187 -2.375 1.00 0.00 C ATOM 685 CG ARG A 352 6.855 -6.924 -1.187 1.00 0.00 C ATOM 686 CD ARG A 352 8.019 -7.908 -1.231 1.00 0.00 C ATOM 687 NE ARG A 352 8.995 -7.578 -0.156 1.00 0.00 N ATOM 688 CZ ARG A 352 9.789 -6.550 -0.289 1.00 0.00 C ATOM 689 NH1 ARG A 352 9.727 -5.813 -1.364 1.00 0.00 N ATOM 690 NH2 ARG A 352 10.645 -6.260 0.654 1.00 0.00 N ATOM 0 H ARG A 352 3.674 -7.735 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 352 4.993 -5.260 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 352 5.644 -8.238 -2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 352 6.454 -6.976 -3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 352 7.227 -5.900 -1.219 1.00 0.00 H new ATOM 0 HG3 ARG A 352 6.305 -7.034 -0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 352 7.652 -8.926 -1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 352 8.507 -7.866 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 352 9.043 -8.155 0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 352 9.058 -6.040 -2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 352 10.347 -5.010 -1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 352 10.693 -6.837 1.494 1.00 0.00 H new ATOM 0 HH22 ARG A 352 11.265 -5.457 0.550 1.00 0.00 H new ATOM 704 N CYS A 353 3.826 -5.484 -4.360 1.00 0.00 N ATOM 705 CA CYS A 353 2.985 -5.590 -5.579 1.00 0.00 C ATOM 706 C CYS A 353 3.454 -6.813 -6.378 1.00 0.00 C ATOM 707 O CYS A 353 4.572 -7.255 -6.248 1.00 0.00 O ATOM 708 CB CYS A 353 3.109 -4.317 -6.429 1.00 0.00 C ATOM 709 SG CYS A 353 4.000 -3.026 -5.517 1.00 0.00 S ATOM 0 H CYS A 353 4.376 -4.629 -4.279 1.00 0.00 H new ATOM 0 HA CYS A 353 1.937 -5.703 -5.301 1.00 0.00 H new ATOM 0 HB2 CYS A 353 3.634 -4.543 -7.357 1.00 0.00 H new ATOM 0 HB3 CYS A 353 2.117 -3.958 -6.703 1.00 0.00 H new ATOM 0 HG CYS A 353 5.240 -2.996 -5.908 1.00 0.00 H new ATOM 714 N PRO A 354 2.596 -7.397 -7.157 1.00 0.00 N ATOM 715 CA PRO A 354 2.936 -8.620 -7.934 1.00 0.00 C ATOM 716 C PRO A 354 4.263 -8.503 -8.701 1.00 0.00 C ATOM 717 O PRO A 354 5.020 -9.451 -8.780 1.00 0.00 O ATOM 718 CB PRO A 354 1.765 -8.781 -8.918 1.00 0.00 C ATOM 719 CG PRO A 354 0.892 -7.574 -8.753 1.00 0.00 C ATOM 720 CD PRO A 354 1.219 -6.966 -7.392 1.00 0.00 C ATOM 0 HA PRO A 354 3.072 -9.474 -7.270 1.00 0.00 H new ATOM 0 HB2 PRO A 354 2.129 -8.858 -9.943 1.00 0.00 H new ATOM 0 HB3 PRO A 354 1.207 -9.693 -8.709 1.00 0.00 H new ATOM 0 HG2 PRO A 354 1.076 -6.854 -9.551 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.161 -7.850 -8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 354 1.134 -5.879 -7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 354 0.545 -7.329 -6.616 1.00 0.00 H new ATOM 728 N LYS A 355 4.562 -7.364 -9.268 1.00 0.00 N ATOM 729 CA LYS A 355 5.843 -7.233 -10.030 1.00 0.00 C ATOM 730 C LYS A 355 7.047 -7.521 -9.130 1.00 0.00 C ATOM 731 O LYS A 355 7.951 -8.240 -9.508 1.00 0.00 O ATOM 732 CB LYS A 355 5.958 -5.826 -10.616 1.00 0.00 C ATOM 733 CG LYS A 355 6.047 -4.804 -9.486 1.00 0.00 C ATOM 734 CD LYS A 355 5.965 -3.394 -10.075 1.00 0.00 C ATOM 735 CE LYS A 355 6.339 -2.367 -9.006 1.00 0.00 C ATOM 736 NZ LYS A 355 7.824 -2.275 -8.906 1.00 0.00 N ATOM 0 H LYS A 355 3.982 -6.525 -9.239 1.00 0.00 H new ATOM 0 HA LYS A 355 5.836 -7.964 -10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 355 6.841 -5.757 -11.252 1.00 0.00 H new ATOM 0 HB3 LYS A 355 5.094 -5.612 -11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 355 5.237 -4.961 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.982 -4.929 -8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 355 6.637 -3.306 -10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 355 4.957 -3.201 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 355 5.919 -1.393 -9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 355 5.916 -2.656 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 8.106 -2.292 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 8.256 -3.081 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 8.147 -1.388 -9.342 1.00 0.00 H new ATOM 750 N CYS A 356 7.076 -6.976 -7.948 1.00 0.00 N ATOM 751 CA CYS A 356 8.233 -7.236 -7.046 1.00 0.00 C ATOM 752 C CYS A 356 8.172 -8.688 -6.578 1.00 0.00 C ATOM 753 O CYS A 356 9.182 -9.342 -6.406 1.00 0.00 O ATOM 754 CB CYS A 356 8.188 -6.292 -5.841 1.00 0.00 C ATOM 755 SG CYS A 356 6.488 -5.748 -5.563 1.00 0.00 S ATOM 0 H CYS A 356 6.354 -6.365 -7.568 1.00 0.00 H new ATOM 0 HA CYS A 356 9.165 -7.060 -7.584 1.00 0.00 H new ATOM 0 HB2 CYS A 356 8.568 -6.799 -4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 356 8.832 -5.431 -6.016 1.00 0.00 H new ATOM 0 HG CYS A 356 5.667 -6.696 -5.906 1.00 0.00 H new ATOM 760 N LEU A 357 6.989 -9.199 -6.373 1.00 0.00 N ATOM 761 CA LEU A 357 6.850 -10.611 -5.920 1.00 0.00 C ATOM 762 C LEU A 357 7.395 -11.535 -7.012 1.00 0.00 C ATOM 763 O LEU A 357 7.993 -12.556 -6.739 1.00 0.00 O ATOM 764 CB LEU A 357 5.367 -10.907 -5.674 1.00 0.00 C ATOM 765 CG LEU A 357 5.209 -12.015 -4.624 1.00 0.00 C ATOM 766 CD1 LEU A 357 6.014 -13.250 -5.035 1.00 0.00 C ATOM 767 CD2 LEU A 357 5.713 -11.511 -3.270 1.00 0.00 C ATOM 0 H LEU A 357 6.110 -8.697 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 357 7.408 -10.774 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 357 4.860 -10.003 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 357 4.891 -11.210 -6.606 1.00 0.00 H new ATOM 0 HG LEU A 357 4.155 -12.284 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 357 5.894 -14.029 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 357 5.654 -13.616 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 357 7.068 -12.986 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 357 5.601 -12.298 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 357 6.765 -11.236 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 357 5.133 -10.639 -2.968 1.00 0.00 H new ATOM 779 N ALA A 358 7.193 -11.179 -8.250 1.00 0.00 N ATOM 780 CA ALA A 358 7.696 -12.032 -9.364 1.00 0.00 C ATOM 781 C ALA A 358 9.219 -12.142 -9.276 1.00 0.00 C ATOM 782 O ALA A 358 9.806 -13.122 -9.691 1.00 0.00 O ATOM 783 CB ALA A 358 7.307 -11.403 -10.704 1.00 0.00 C ATOM 0 H ALA A 358 6.701 -10.334 -8.539 1.00 0.00 H new ATOM 0 HA ALA A 358 7.255 -13.026 -9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 358 7.675 -12.026 -11.519 1.00 0.00 H new ATOM 0 HB2 ALA A 358 6.222 -11.325 -10.768 1.00 0.00 H new ATOM 0 HB3 ALA A 358 7.747 -10.409 -10.781 1.00 0.00 H new ATOM 789 N GLN A 359 9.867 -11.143 -8.741 1.00 0.00 N ATOM 790 CA GLN A 359 11.352 -11.193 -8.629 1.00 0.00 C ATOM 791 C GLN A 359 11.761 -12.429 -7.825 1.00 0.00 C ATOM 792 O GLN A 359 12.778 -13.041 -8.083 1.00 0.00 O ATOM 793 CB GLN A 359 11.853 -9.935 -7.919 1.00 0.00 C ATOM 794 CG GLN A 359 11.536 -8.705 -8.773 1.00 0.00 C ATOM 795 CD GLN A 359 12.135 -7.460 -8.118 1.00 0.00 C ATOM 796 OE1 GLN A 359 12.758 -7.572 -6.977 1.00 0.00 O flip ATOM 797 NE2 GLN A 359 12.036 -6.372 -8.650 1.00 0.00 N flip ATOM 0 H GLN A 359 9.432 -10.295 -8.377 1.00 0.00 H new ATOM 0 HA GLN A 359 11.790 -11.246 -9.626 1.00 0.00 H new ATOM 0 HB2 GLN A 359 11.380 -9.844 -6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 359 12.927 -10.005 -7.748 1.00 0.00 H new ATOM 0 HG2 GLN A 359 11.942 -8.832 -9.777 1.00 0.00 H new ATOM 0 HG3 GLN A 359 10.457 -8.590 -8.878 1.00 0.00 H new ATOM 0 HE21 GLN A 359 11.549 -6.283 -9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 359 12.440 -5.548 -8.205 1.00 0.00 H new ATOM 806 N GLU A 360 10.974 -12.802 -6.854 1.00 0.00 N ATOM 807 CA GLU A 360 11.317 -13.998 -6.035 1.00 0.00 C ATOM 808 C GLU A 360 11.115 -15.263 -6.871 1.00 0.00 C ATOM 809 O GLU A 360 9.975 -15.665 -7.035 1.00 0.00 O ATOM 810 CB GLU A 360 10.410 -14.050 -4.803 1.00 0.00 C ATOM 811 CG GLU A 360 10.852 -15.196 -3.891 1.00 0.00 C ATOM 812 CD GLU A 360 9.885 -15.313 -2.712 1.00 0.00 C ATOM 813 OE1 GLU A 360 8.937 -14.545 -2.669 1.00 0.00 O ATOM 814 OE2 GLU A 360 10.107 -16.168 -1.871 1.00 0.00 O ATOM 815 OXT GLU A 360 12.104 -15.808 -7.333 1.00 0.00 O ATOM 0 H GLU A 360 10.108 -12.330 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 360 12.358 -13.935 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 360 10.457 -13.104 -4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 360 9.373 -14.193 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 360 10.875 -16.131 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 360 11.864 -15.016 -3.528 1.00 0.00 H new