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 30:sc= 1.04 USER MOD Set 1.2: A 330 CYS SG : rot -50:sc= -0.102 USER MOD Set 1.3: A 353 CYS SG : rot 60:sc= 0.24 USER MOD Set 1.4: A 356 CYS SG : rot 126:sc= 0.189 USER MOD Set 2.1: A 312 CYS SG : rot -140:sc= -1.25 USER MOD Set 2.2: A 315 CYS SG : rot 129:sc= 0.665 USER MOD Set 2.3: A 335 HIS : no HD1:sc= -9.07! C(o=-12!,f=-13!) USER MOD Set 2.4: A 338 CYS SG : rot -144:sc= -2.13! 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= -0.0463 X(o=-0.046,f=0) USER MOD Single : A 333 SER OG : rot 177:sc= 0.824 USER MOD Single : A 334 TYR OH : rot 180:sc= 0 USER MOD Single : A 336 THR OG1 : rot -159:sc= -0.432 USER MOD Single : A 344 HIS : no HD1:sc= -0.575 K(o=-0.58,f=0) USER MOD Single : A 348 LYS NZ :NH3+ -159:sc= -0.0976 (180deg=-0.732) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 GLN : amide:sc= -1.25! K(o=-1.2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 309 3.737 12.463 5.251 1.00 0.00 N ATOM 42 CA LEU A 309 5.022 12.295 4.514 1.00 0.00 C ATOM 43 C LEU A 309 4.806 11.360 3.322 1.00 0.00 C ATOM 44 O LEU A 309 5.394 11.533 2.273 1.00 0.00 O ATOM 45 CB LEU A 309 6.072 11.690 5.450 1.00 0.00 C ATOM 46 CG LEU A 309 6.241 12.584 6.680 1.00 0.00 C ATOM 47 CD1 LEU A 309 7.345 12.018 7.575 1.00 0.00 C ATOM 48 CD2 LEU A 309 6.626 13.998 6.236 1.00 0.00 C ATOM 0 HA LEU A 309 5.367 13.266 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 309 5.768 10.689 5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 309 7.024 11.589 4.928 1.00 0.00 H new ATOM 0 HG LEU A 309 5.303 12.618 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 309 7.465 12.655 8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 309 7.075 11.011 7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 309 8.282 11.984 7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 309 6.746 14.635 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 309 7.564 13.963 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 309 5.842 14.405 5.597 1.00 0.00 H new ATOM 60 N TYR A 310 3.964 10.373 3.477 1.00 0.00 N ATOM 61 CA TYR A 310 3.702 9.422 2.361 1.00 0.00 C ATOM 62 C TYR A 310 2.234 9.511 1.942 1.00 0.00 C ATOM 63 O TYR A 310 1.344 9.551 2.768 1.00 0.00 O ATOM 64 CB TYR A 310 4.011 7.995 2.821 1.00 0.00 C ATOM 65 CG TYR A 310 5.226 7.482 2.088 1.00 0.00 C ATOM 66 CD1 TYR A 310 5.141 7.171 0.725 1.00 0.00 C ATOM 67 CD2 TYR A 310 6.438 7.314 2.769 1.00 0.00 C ATOM 68 CE1 TYR A 310 6.265 6.692 0.044 1.00 0.00 C ATOM 69 CE2 TYR A 310 7.564 6.835 2.087 1.00 0.00 C ATOM 70 CZ TYR A 310 7.477 6.524 0.725 1.00 0.00 C ATOM 71 OH TYR A 310 8.586 6.052 0.053 1.00 0.00 O ATOM 0 H TYR A 310 3.444 10.185 4.334 1.00 0.00 H new ATOM 0 HA TYR A 310 4.338 9.679 1.514 1.00 0.00 H new ATOM 0 HB2 TYR A 310 4.188 7.979 3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 310 3.156 7.346 2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.207 7.301 0.199 1.00 0.00 H new ATOM 0 HD2 TYR A 310 6.505 7.554 3.820 1.00 0.00 H new ATOM 0 HE1 TYR A 310 6.198 6.452 -1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 310 8.499 6.706 2.612 1.00 0.00 H new ATOM 0 HH TYR A 310 9.344 5.996 0.672 1.00 0.00 H new ATOM 81 N VAL A 311 1.977 9.537 0.662 1.00 0.00 N ATOM 82 CA VAL A 311 0.570 9.615 0.177 1.00 0.00 C ATOM 83 C VAL A 311 0.332 8.498 -0.841 1.00 0.00 C ATOM 84 O VAL A 311 1.259 7.959 -1.412 1.00 0.00 O ATOM 85 CB VAL A 311 0.328 10.974 -0.483 1.00 0.00 C ATOM 86 CG1 VAL A 311 0.727 12.089 0.486 1.00 0.00 C ATOM 87 CG2 VAL A 311 1.169 11.079 -1.757 1.00 0.00 C ATOM 0 H VAL A 311 2.685 9.507 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 311 -0.116 9.500 1.016 1.00 0.00 H new ATOM 0 HB VAL A 311 -0.728 11.073 -0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 311 0.555 13.058 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 311 0.128 12.014 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 311 1.783 11.991 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 311 0.997 12.047 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 311 2.225 10.980 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 311 0.885 10.284 -2.447 1.00 0.00 H new ATOM 97 N CYS A 312 -0.901 8.140 -1.067 1.00 0.00 N ATOM 98 CA CYS A 312 -1.193 7.052 -2.041 1.00 0.00 C ATOM 99 C CYS A 312 -1.107 7.602 -3.464 1.00 0.00 C ATOM 100 O CYS A 312 -1.836 8.496 -3.839 1.00 0.00 O ATOM 101 CB CYS A 312 -2.601 6.519 -1.791 1.00 0.00 C ATOM 102 SG CYS A 312 -3.055 5.376 -3.115 1.00 0.00 S ATOM 0 H CYS A 312 -1.719 8.554 -0.619 1.00 0.00 H new ATOM 0 HA CYS A 312 -0.467 6.249 -1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -2.644 6.012 -0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -3.312 7.344 -1.749 1.00 0.00 H new ATOM 0 HG CYS A 312 -4.297 5.568 -3.447 1.00 0.00 H new ATOM 107 N LEU A 313 -0.224 7.076 -4.263 1.00 0.00 N ATOM 108 CA LEU A 313 -0.101 7.575 -5.660 1.00 0.00 C ATOM 109 C LEU A 313 -1.421 7.350 -6.400 1.00 0.00 C ATOM 110 O LEU A 313 -1.844 8.161 -7.199 1.00 0.00 O ATOM 111 CB LEU A 313 1.022 6.821 -6.373 1.00 0.00 C ATOM 112 CG LEU A 313 1.230 7.416 -7.767 1.00 0.00 C ATOM 113 CD1 LEU A 313 1.774 8.841 -7.643 1.00 0.00 C ATOM 114 CD2 LEU A 313 2.232 6.556 -8.540 1.00 0.00 C ATOM 0 H LEU A 313 0.417 6.324 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 313 0.129 8.640 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 313 1.944 6.889 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 313 0.772 5.763 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 313 0.278 7.438 -8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 313 1.921 9.262 -8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 313 1.063 9.455 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 313 2.726 8.822 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 313 2.382 6.977 -9.534 1.00 0.00 H new ATOM 0 HD22 LEU A 313 3.182 6.536 -8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 313 1.846 5.541 -8.631 1.00 0.00 H new ATOM 126 N LEU A 314 -2.072 6.246 -6.148 1.00 0.00 N ATOM 127 CA LEU A 314 -3.357 5.958 -6.840 1.00 0.00 C ATOM 128 C LEU A 314 -4.407 7.007 -6.459 1.00 0.00 C ATOM 129 O LEU A 314 -5.200 7.426 -7.279 1.00 0.00 O ATOM 130 CB LEU A 314 -3.846 4.572 -6.421 1.00 0.00 C ATOM 131 CG LEU A 314 -2.737 3.546 -6.657 1.00 0.00 C ATOM 132 CD1 LEU A 314 -3.264 2.144 -6.345 1.00 0.00 C ATOM 133 CD2 LEU A 314 -2.289 3.607 -8.119 1.00 0.00 C ATOM 0 H LEU A 314 -1.766 5.530 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 314 -3.203 5.989 -7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -4.132 4.578 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -4.734 4.301 -6.991 1.00 0.00 H new ATOM 0 HG LEU A 314 -1.891 3.770 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -2.474 1.412 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -3.585 2.099 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -4.110 1.920 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -1.498 2.876 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -3.135 3.383 -8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -1.914 4.606 -8.343 1.00 0.00 H new ATOM 145 N CYS A 315 -4.420 7.428 -5.222 1.00 0.00 N ATOM 146 CA CYS A 315 -5.422 8.446 -4.783 1.00 0.00 C ATOM 147 C CYS A 315 -4.698 9.693 -4.276 1.00 0.00 C ATOM 148 O CYS A 315 -4.900 10.787 -4.766 1.00 0.00 O ATOM 149 CB CYS A 315 -6.279 7.868 -3.656 1.00 0.00 C ATOM 150 SG CYS A 315 -6.611 6.116 -3.975 1.00 0.00 S ATOM 0 H CYS A 315 -3.779 7.111 -4.495 1.00 0.00 H new ATOM 0 HA CYS A 315 -6.058 8.711 -5.627 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -5.766 7.982 -2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.217 8.418 -3.582 1.00 0.00 H new ATOM 0 HG CYS A 315 -6.318 5.419 -2.918 1.00 0.00 H new ATOM 155 N GLY A 316 -3.853 9.534 -3.296 1.00 0.00 N ATOM 156 CA GLY A 316 -3.107 10.701 -2.750 1.00 0.00 C ATOM 157 C GLY A 316 -3.891 11.334 -1.597 1.00 0.00 C ATOM 158 O GLY A 316 -3.953 12.541 -1.471 1.00 0.00 O ATOM 0 H GLY A 316 -3.646 8.641 -2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -2.125 10.383 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -2.943 11.438 -3.536 1.00 0.00 H new ATOM 162 N SER A 317 -4.485 10.529 -0.755 1.00 0.00 N ATOM 163 CA SER A 317 -5.260 11.085 0.392 1.00 0.00 C ATOM 164 C SER A 317 -4.570 10.710 1.708 1.00 0.00 C ATOM 165 O SER A 317 -4.320 9.553 1.985 1.00 0.00 O ATOM 166 CB SER A 317 -6.674 10.505 0.377 1.00 0.00 C ATOM 167 OG SER A 317 -7.445 11.121 1.401 1.00 0.00 O ATOM 0 H SER A 317 -4.467 9.511 -0.813 1.00 0.00 H new ATOM 0 HA SER A 317 -5.309 12.170 0.305 1.00 0.00 H new ATOM 0 HB2 SER A 317 -7.138 10.673 -0.595 1.00 0.00 H new ATOM 0 HB3 SER A 317 -6.639 9.427 0.531 1.00 0.00 H new ATOM 0 HG SER A 317 -8.353 10.753 1.393 1.00 0.00 H new ATOM 173 N GLY A 318 -4.262 11.684 2.520 1.00 0.00 N ATOM 174 CA GLY A 318 -3.587 11.401 3.821 1.00 0.00 C ATOM 175 C GLY A 318 -4.510 10.586 4.733 1.00 0.00 C ATOM 176 O GLY A 318 -4.078 9.690 5.425 1.00 0.00 O ATOM 0 H GLY A 318 -4.450 12.670 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -2.661 10.853 3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -3.316 12.337 4.309 1.00 0.00 H new ATOM 180 N ASN A 319 -5.778 10.890 4.750 1.00 0.00 N ATOM 181 CA ASN A 319 -6.705 10.123 5.631 1.00 0.00 C ATOM 182 C ASN A 319 -6.606 8.635 5.304 1.00 0.00 C ATOM 183 O ASN A 319 -6.626 7.792 6.179 1.00 0.00 O ATOM 184 CB ASN A 319 -8.141 10.596 5.402 1.00 0.00 C ATOM 185 CG ASN A 319 -9.068 9.902 6.399 1.00 0.00 C ATOM 186 OD1 ASN A 319 -9.241 10.363 7.511 1.00 0.00 O ATOM 187 ND2 ASN A 319 -9.669 8.797 6.049 1.00 0.00 N ATOM 0 H ASN A 319 -6.211 11.630 4.197 1.00 0.00 H new ATOM 0 HA ASN A 319 -6.429 10.288 6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -8.203 11.678 5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -8.452 10.371 4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -10.284 8.320 6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -9.524 8.411 5.116 1.00 0.00 H new ATOM 194 N ASP A 320 -6.494 8.307 4.051 1.00 0.00 N ATOM 195 CA ASP A 320 -6.386 6.882 3.658 1.00 0.00 C ATOM 196 C ASP A 320 -5.005 6.360 4.062 1.00 0.00 C ATOM 197 O ASP A 320 -4.702 5.192 3.925 1.00 0.00 O ATOM 198 CB ASP A 320 -6.575 6.760 2.147 1.00 0.00 C ATOM 199 CG ASP A 320 -7.983 7.225 1.772 1.00 0.00 C ATOM 200 OD1 ASP A 320 -8.812 7.322 2.661 1.00 0.00 O ATOM 201 OD2 ASP A 320 -8.210 7.475 0.599 1.00 0.00 O ATOM 0 H ASP A 320 -6.473 8.971 3.277 1.00 0.00 H new ATOM 0 HA ASP A 320 -7.154 6.293 4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -5.830 7.362 1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -6.426 5.727 1.833 1.00 0.00 H new ATOM 206 N GLU A 321 -4.164 7.231 4.552 1.00 0.00 N ATOM 207 CA GLU A 321 -2.794 6.813 4.962 1.00 0.00 C ATOM 208 C GLU A 321 -2.871 5.609 5.907 1.00 0.00 C ATOM 209 O GLU A 321 -1.973 4.792 5.956 1.00 0.00 O ATOM 210 CB GLU A 321 -2.101 7.980 5.673 1.00 0.00 C ATOM 211 CG GLU A 321 -0.691 7.569 6.092 1.00 0.00 C ATOM 212 CD GLU A 321 -0.031 8.716 6.859 1.00 0.00 C ATOM 213 OE1 GLU A 321 -0.691 9.721 7.066 1.00 0.00 O ATOM 214 OE2 GLU A 321 1.122 8.569 7.229 1.00 0.00 O ATOM 0 H GLU A 321 -4.370 8.221 4.686 1.00 0.00 H new ATOM 0 HA GLU A 321 -2.225 6.531 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -2.056 8.845 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -2.678 8.278 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.731 6.676 6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -0.098 7.317 5.213 1.00 0.00 H new ATOM 221 N ASP A 322 -3.929 5.491 6.659 1.00 0.00 N ATOM 222 CA ASP A 322 -4.047 4.338 7.597 1.00 0.00 C ATOM 223 C ASP A 322 -3.966 3.018 6.820 1.00 0.00 C ATOM 224 O ASP A 322 -3.409 2.045 7.290 1.00 0.00 O ATOM 225 CB ASP A 322 -5.388 4.415 8.329 1.00 0.00 C ATOM 226 CG ASP A 322 -5.421 3.374 9.449 1.00 0.00 C ATOM 227 OD1 ASP A 322 -4.403 2.739 9.671 1.00 0.00 O ATOM 228 OD2 ASP A 322 -6.463 3.228 10.066 1.00 0.00 O ATOM 0 H ASP A 322 -4.716 6.140 6.666 1.00 0.00 H new ATOM 0 HA ASP A 322 -3.230 4.379 8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -5.532 5.413 8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -6.206 4.239 7.630 1.00 0.00 H new ATOM 233 N ARG A 323 -4.524 2.973 5.641 1.00 0.00 N ATOM 234 CA ARG A 323 -4.487 1.713 4.841 1.00 0.00 C ATOM 235 C ARG A 323 -3.437 1.827 3.731 1.00 0.00 C ATOM 236 O ARG A 323 -3.343 0.979 2.868 1.00 0.00 O ATOM 237 CB ARG A 323 -5.859 1.478 4.204 1.00 0.00 C ATOM 238 CG ARG A 323 -6.943 1.451 5.286 1.00 0.00 C ATOM 239 CD ARG A 323 -6.927 0.100 6.006 1.00 0.00 C ATOM 240 NE ARG A 323 -8.087 0.022 6.938 1.00 0.00 N ATOM 241 CZ ARG A 323 -9.299 -0.081 6.464 1.00 0.00 C ATOM 242 NH1 ARG A 323 -9.495 -0.117 5.174 1.00 0.00 N ATOM 243 NH2 ARG A 323 -10.315 -0.149 7.280 1.00 0.00 N ATOM 0 H ARG A 323 -5.005 3.755 5.196 1.00 0.00 H new ATOM 0 HA ARG A 323 -4.231 0.882 5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -6.074 2.266 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -5.858 0.536 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -6.775 2.256 6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -7.921 1.622 4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -6.974 -0.712 5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -5.995 -0.020 6.558 1.00 0.00 H new ATOM 0 HE ARG A 323 -7.934 0.049 7.946 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -8.701 -0.065 4.536 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -10.442 -0.198 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -10.162 -0.122 8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -11.262 -0.229 6.910 1.00 0.00 H new ATOM 257 N LEU A 324 -2.655 2.869 3.740 1.00 0.00 N ATOM 258 CA LEU A 324 -1.624 3.042 2.674 1.00 0.00 C ATOM 259 C LEU A 324 -0.390 2.195 2.988 1.00 0.00 C ATOM 260 O LEU A 324 0.194 2.294 4.048 1.00 0.00 O ATOM 261 CB LEU A 324 -1.238 4.522 2.609 1.00 0.00 C ATOM 262 CG LEU A 324 -0.210 4.762 1.499 1.00 0.00 C ATOM 263 CD1 LEU A 324 -0.136 6.261 1.206 1.00 0.00 C ATOM 264 CD2 LEU A 324 1.175 4.268 1.934 1.00 0.00 C ATOM 0 H LEU A 324 -2.683 3.611 4.440 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.027 2.717 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.126 5.127 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -0.827 4.839 3.568 1.00 0.00 H new ATOM 0 HG LEU A 324 -0.516 4.215 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 324 0.594 6.442 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -1.114 6.618 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 324 0.166 6.794 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 324 1.893 4.446 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 324 1.488 4.806 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 324 1.129 3.200 2.149 1.00 0.00 H new ATOM 276 N LEU A 325 0.010 1.364 2.061 1.00 0.00 N ATOM 277 CA LEU A 325 1.206 0.507 2.282 1.00 0.00 C ATOM 278 C LEU A 325 2.355 0.993 1.399 1.00 0.00 C ATOM 279 O LEU A 325 2.200 1.169 0.207 1.00 0.00 O ATOM 280 CB LEU A 325 0.876 -0.939 1.903 1.00 0.00 C ATOM 281 CG LEU A 325 -0.334 -1.428 2.700 1.00 0.00 C ATOM 282 CD1 LEU A 325 -0.720 -2.829 2.223 1.00 0.00 C ATOM 283 CD2 LEU A 325 0.021 -1.483 4.188 1.00 0.00 C ATOM 0 H LEU A 325 -0.445 1.244 1.156 1.00 0.00 H new ATOM 0 HA LEU A 325 1.495 0.562 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 325 0.669 -1.005 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 325 1.735 -1.580 2.101 1.00 0.00 H new ATOM 0 HG LEU A 325 -1.169 -0.743 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -1.582 -3.181 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -0.971 -2.796 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.118 -3.509 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -0.842 -1.832 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.855 -2.169 4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 325 0.303 -0.488 4.532 1.00 0.00 H new ATOM 295 N LEU A 326 3.511 1.192 1.965 1.00 0.00 N ATOM 296 CA LEU A 326 4.666 1.642 1.151 1.00 0.00 C ATOM 297 C LEU A 326 5.399 0.402 0.644 1.00 0.00 C ATOM 298 O LEU A 326 5.542 -0.573 1.355 1.00 0.00 O ATOM 299 CB LEU A 326 5.602 2.477 2.016 1.00 0.00 C ATOM 300 CG LEU A 326 6.028 1.658 3.231 1.00 0.00 C ATOM 301 CD1 LEU A 326 7.498 1.263 3.085 1.00 0.00 C ATOM 302 CD2 LEU A 326 5.843 2.496 4.497 1.00 0.00 C ATOM 0 H LEU A 326 3.704 1.062 2.958 1.00 0.00 H new ATOM 0 HA LEU A 326 4.328 2.249 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 326 6.477 2.777 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 326 5.102 3.391 2.336 1.00 0.00 H new ATOM 0 HG LEU A 326 5.417 0.758 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 326 7.805 0.678 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 326 7.627 0.668 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 326 8.111 2.162 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 326 6.147 1.913 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 326 6.456 3.395 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 326 4.795 2.778 4.597 1.00 0.00 H new ATOM 314 N CYS A 327 5.841 0.410 -0.581 1.00 0.00 N ATOM 315 CA CYS A 327 6.531 -0.794 -1.116 1.00 0.00 C ATOM 316 C CYS A 327 8.048 -0.640 -1.033 1.00 0.00 C ATOM 317 O CYS A 327 8.638 0.180 -1.707 1.00 0.00 O ATOM 318 CB CYS A 327 6.134 -1.004 -2.574 1.00 0.00 C ATOM 319 SG CYS A 327 7.124 -2.347 -3.276 1.00 0.00 S ATOM 0 H CYS A 327 5.755 1.192 -1.231 1.00 0.00 H new ATOM 0 HA CYS A 327 6.232 -1.652 -0.514 1.00 0.00 H new ATOM 0 HB2 CYS A 327 5.073 -1.244 -2.643 1.00 0.00 H new ATOM 0 HB3 CYS A 327 6.290 -0.087 -3.141 1.00 0.00 H new ATOM 0 HG CYS A 327 7.433 -3.194 -2.339 1.00 0.00 H new ATOM 324 N ASP A 328 8.685 -1.449 -0.232 1.00 0.00 N ATOM 325 CA ASP A 328 10.166 -1.379 -0.131 1.00 0.00 C ATOM 326 C ASP A 328 10.762 -1.860 -1.456 1.00 0.00 C ATOM 327 O ASP A 328 11.773 -1.366 -1.915 1.00 0.00 O ATOM 328 CB ASP A 328 10.648 -2.279 1.008 1.00 0.00 C ATOM 329 CG ASP A 328 10.144 -1.728 2.343 1.00 0.00 C ATOM 330 OD1 ASP A 328 9.689 -0.596 2.360 1.00 0.00 O ATOM 331 OD2 ASP A 328 10.219 -2.448 3.325 1.00 0.00 O ATOM 0 H ASP A 328 8.242 -2.155 0.356 1.00 0.00 H new ATOM 0 HA ASP A 328 10.481 -0.356 0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 328 10.283 -3.296 0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 328 11.737 -2.328 1.011 1.00 0.00 H new ATOM 336 N GLY A 329 10.133 -2.828 -2.073 1.00 0.00 N ATOM 337 CA GLY A 329 10.647 -3.355 -3.370 1.00 0.00 C ATOM 338 C GLY A 329 10.749 -2.213 -4.380 1.00 0.00 C ATOM 339 O GLY A 329 11.686 -2.131 -5.151 1.00 0.00 O ATOM 0 H GLY A 329 9.283 -3.276 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 329 11.624 -3.815 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 329 9.982 -4.131 -3.749 1.00 0.00 H new ATOM 343 N CYS A 330 9.795 -1.327 -4.375 1.00 0.00 N ATOM 344 CA CYS A 330 9.829 -0.180 -5.326 1.00 0.00 C ATOM 345 C CYS A 330 9.118 1.013 -4.690 1.00 0.00 C ATOM 346 O CYS A 330 8.257 0.856 -3.851 1.00 0.00 O ATOM 347 CB CYS A 330 9.121 -0.569 -6.628 1.00 0.00 C ATOM 348 SG CYS A 330 7.330 -0.416 -6.414 1.00 0.00 S ATOM 0 H CYS A 330 8.989 -1.347 -3.751 1.00 0.00 H new ATOM 0 HA CYS A 330 10.863 0.084 -5.549 1.00 0.00 H new ATOM 0 HB2 CYS A 330 9.456 0.073 -7.442 1.00 0.00 H new ATOM 0 HB3 CYS A 330 9.379 -1.592 -6.902 1.00 0.00 H new ATOM 0 HG CYS A 330 6.968 -1.037 -5.331 1.00 0.00 H new ATOM 353 N ASP A 331 9.466 2.207 -5.074 1.00 0.00 N ATOM 354 CA ASP A 331 8.802 3.397 -4.474 1.00 0.00 C ATOM 355 C ASP A 331 7.357 3.472 -4.968 1.00 0.00 C ATOM 356 O ASP A 331 7.054 4.148 -5.931 1.00 0.00 O ATOM 357 CB ASP A 331 9.551 4.664 -4.889 1.00 0.00 C ATOM 358 CG ASP A 331 8.981 5.866 -4.133 1.00 0.00 C ATOM 359 OD1 ASP A 331 8.138 5.656 -3.277 1.00 0.00 O ATOM 360 OD2 ASP A 331 9.398 6.975 -4.423 1.00 0.00 O ATOM 0 H ASP A 331 10.179 2.411 -5.775 1.00 0.00 H new ATOM 0 HA ASP A 331 8.812 3.312 -3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 331 10.614 4.557 -4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 331 9.457 4.819 -5.964 1.00 0.00 H new ATOM 365 N ASP A 332 6.462 2.785 -4.311 1.00 0.00 N ATOM 366 CA ASP A 332 5.036 2.820 -4.741 1.00 0.00 C ATOM 367 C ASP A 332 4.131 2.704 -3.512 1.00 0.00 C ATOM 368 O ASP A 332 4.329 1.854 -2.667 1.00 0.00 O ATOM 369 CB ASP A 332 4.760 1.653 -5.690 1.00 0.00 C ATOM 370 CG ASP A 332 3.347 1.784 -6.262 1.00 0.00 C ATOM 371 OD1 ASP A 332 2.711 2.790 -5.994 1.00 0.00 O ATOM 372 OD2 ASP A 332 2.924 0.876 -6.959 1.00 0.00 O ATOM 0 H ASP A 332 6.657 2.202 -3.497 1.00 0.00 H new ATOM 0 HA ASP A 332 4.834 3.760 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 332 5.492 1.646 -6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 332 4.863 0.707 -5.159 1.00 0.00 H new ATOM 377 N SER A 333 3.139 3.548 -3.410 1.00 0.00 N ATOM 378 CA SER A 333 2.217 3.485 -2.239 1.00 0.00 C ATOM 379 C SER A 333 0.784 3.262 -2.724 1.00 0.00 C ATOM 380 O SER A 333 0.355 3.835 -3.707 1.00 0.00 O ATOM 381 CB SER A 333 2.288 4.800 -1.468 1.00 0.00 C ATOM 382 OG SER A 333 1.913 5.868 -2.327 1.00 0.00 O ATOM 0 H SER A 333 2.927 4.280 -4.088 1.00 0.00 H new ATOM 0 HA SER A 333 2.513 2.661 -1.590 1.00 0.00 H new ATOM 0 HB2 SER A 333 1.626 4.764 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 333 3.298 4.959 -1.090 1.00 0.00 H new ATOM 0 HG SER A 333 1.905 6.707 -1.821 1.00 0.00 H new ATOM 388 N TYR A 334 0.038 2.442 -2.036 1.00 0.00 N ATOM 389 CA TYR A 334 -1.372 2.191 -2.452 1.00 0.00 C ATOM 390 C TYR A 334 -2.205 1.751 -1.250 1.00 0.00 C ATOM 391 O TYR A 334 -1.684 1.283 -0.257 1.00 0.00 O ATOM 392 CB TYR A 334 -1.421 1.109 -3.533 1.00 0.00 C ATOM 393 CG TYR A 334 -0.629 -0.096 -3.093 1.00 0.00 C ATOM 394 CD1 TYR A 334 -1.135 -0.947 -2.106 1.00 0.00 C ATOM 395 CD2 TYR A 334 0.611 -0.365 -3.680 1.00 0.00 C ATOM 396 CE1 TYR A 334 -0.400 -2.068 -1.703 1.00 0.00 C ATOM 397 CE2 TYR A 334 1.348 -1.486 -3.281 1.00 0.00 C ATOM 398 CZ TYR A 334 0.843 -2.338 -2.291 1.00 0.00 C ATOM 399 OH TYR A 334 1.568 -3.444 -1.896 1.00 0.00 O ATOM 0 H TYR A 334 0.343 1.935 -1.205 1.00 0.00 H new ATOM 0 HA TYR A 334 -1.784 3.116 -2.854 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.455 0.824 -3.727 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -1.017 1.498 -4.467 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -2.094 -0.739 -1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 334 1.001 0.293 -4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -0.791 -2.724 -0.939 1.00 0.00 H new ATOM 0 HE2 TYR A 334 2.305 -1.694 -3.736 1.00 0.00 H new ATOM 0 HH TYR A 334 2.405 -3.485 -2.404 1.00 0.00 H new ATOM 409 N HIS A 335 -3.501 1.889 -1.335 1.00 0.00 N ATOM 410 CA HIS A 335 -4.366 1.470 -0.200 1.00 0.00 C ATOM 411 C HIS A 335 -4.761 0.004 -0.385 1.00 0.00 C ATOM 412 O HIS A 335 -4.755 -0.518 -1.481 1.00 0.00 O ATOM 413 CB HIS A 335 -5.626 2.336 -0.155 1.00 0.00 C ATOM 414 CG HIS A 335 -5.234 3.772 0.046 1.00 0.00 C ATOM 415 ND1 HIS A 335 -5.647 4.784 -0.812 1.00 0.00 N ATOM 416 CD2 HIS A 335 -4.467 4.384 1.007 1.00 0.00 C ATOM 417 CE1 HIS A 335 -5.130 5.938 -0.351 1.00 0.00 C ATOM 418 NE2 HIS A 335 -4.404 5.746 0.751 1.00 0.00 N ATOM 0 H HIS A 335 -3.995 2.273 -2.140 1.00 0.00 H new ATOM 0 HA HIS A 335 -3.819 1.591 0.735 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.189 2.227 -1.082 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.278 2.008 0.655 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -3.987 3.882 1.834 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -5.284 6.900 -0.816 1.00 0.00 H new ATOM 0 HE2 HIS A 335 -3.906 6.453 1.292 1.00 0.00 H new ATOM 426 N THR A 336 -5.092 -0.665 0.682 1.00 0.00 N ATOM 427 CA THR A 336 -5.473 -2.099 0.580 1.00 0.00 C ATOM 428 C THR A 336 -6.766 -2.250 -0.224 1.00 0.00 C ATOM 429 O THR A 336 -7.039 -3.299 -0.770 1.00 0.00 O ATOM 430 CB THR A 336 -5.687 -2.655 1.988 1.00 0.00 C ATOM 431 OG1 THR A 336 -6.804 -2.013 2.585 1.00 0.00 O ATOM 432 CG2 THR A 336 -4.438 -2.401 2.834 1.00 0.00 C ATOM 0 H THR A 336 -5.115 -0.278 1.625 1.00 0.00 H new ATOM 0 HA THR A 336 -4.678 -2.646 0.074 1.00 0.00 H new ATOM 0 HB THR A 336 -5.872 -3.728 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 336 -6.751 -2.103 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 336 -4.591 -2.798 3.838 1.00 0.00 H new ATOM 0 HG22 THR A 336 -3.581 -2.895 2.376 1.00 0.00 H new ATOM 0 HG23 THR A 336 -4.250 -1.329 2.892 1.00 0.00 H new ATOM 440 N PHE A 337 -7.570 -1.223 -0.290 1.00 0.00 N ATOM 441 CA PHE A 337 -8.855 -1.331 -1.041 1.00 0.00 C ATOM 442 C PHE A 337 -8.789 -0.568 -2.368 1.00 0.00 C ATOM 443 O PHE A 337 -9.740 -0.566 -3.124 1.00 0.00 O ATOM 444 CB PHE A 337 -9.984 -0.751 -0.188 1.00 0.00 C ATOM 445 CG PHE A 337 -9.642 0.667 0.190 1.00 0.00 C ATOM 446 CD1 PHE A 337 -9.960 1.718 -0.678 1.00 0.00 C ATOM 447 CD2 PHE A 337 -9.001 0.932 1.405 1.00 0.00 C ATOM 448 CE1 PHE A 337 -9.637 3.034 -0.331 1.00 0.00 C ATOM 449 CE2 PHE A 337 -8.676 2.248 1.753 1.00 0.00 C ATOM 450 CZ PHE A 337 -8.995 3.300 0.885 1.00 0.00 C ATOM 0 H PHE A 337 -7.394 -0.316 0.142 1.00 0.00 H new ATOM 0 HA PHE A 337 -9.039 -2.383 -1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -10.923 -0.776 -0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -10.126 -1.355 0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -10.455 1.513 -1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -8.757 0.121 2.075 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -9.883 3.845 -1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -8.180 2.452 2.690 1.00 0.00 H new ATOM 0 HZ PHE A 337 -8.746 4.316 1.153 1.00 0.00 H new ATOM 460 N CYS A 338 -7.692 0.082 -2.661 1.00 0.00 N ATOM 461 CA CYS A 338 -7.602 0.842 -3.947 1.00 0.00 C ATOM 462 C CYS A 338 -6.513 0.235 -4.837 1.00 0.00 C ATOM 463 O CYS A 338 -5.854 0.926 -5.587 1.00 0.00 O ATOM 464 CB CYS A 338 -7.290 2.313 -3.654 1.00 0.00 C ATOM 465 SG CYS A 338 -5.501 2.573 -3.573 1.00 0.00 S ATOM 0 H CYS A 338 -6.860 0.121 -2.072 1.00 0.00 H new ATOM 0 HA CYS A 338 -8.556 0.779 -4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -7.721 2.945 -4.431 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -7.750 2.608 -2.711 1.00 0.00 H new ATOM 0 HG CYS A 338 -5.232 3.455 -2.656 1.00 0.00 H new ATOM 470 N LEU A 339 -6.332 -1.056 -4.769 1.00 0.00 N ATOM 471 CA LEU A 339 -5.298 -1.709 -5.623 1.00 0.00 C ATOM 472 C LEU A 339 -5.392 -3.230 -5.478 1.00 0.00 C ATOM 473 O LEU A 339 -5.245 -3.963 -6.437 1.00 0.00 O ATOM 474 CB LEU A 339 -3.904 -1.243 -5.195 1.00 0.00 C ATOM 475 CG LEU A 339 -2.855 -1.803 -6.162 1.00 0.00 C ATOM 476 CD1 LEU A 339 -2.972 -1.107 -7.522 1.00 0.00 C ATOM 477 CD2 LEU A 339 -1.457 -1.562 -5.589 1.00 0.00 C ATOM 0 H LEU A 339 -6.854 -1.686 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 339 -5.469 -1.433 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -3.860 -0.154 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -3.693 -1.579 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 339 -3.022 -2.872 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -2.223 -1.511 -8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -3.967 -1.278 -7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -2.810 -0.036 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -0.709 -1.960 -6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -1.297 -0.492 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -1.368 -2.063 -4.625 1.00 0.00 H new ATOM 489 N ILE A 340 -5.634 -3.706 -4.289 1.00 0.00 N ATOM 490 CA ILE A 340 -5.736 -5.182 -4.072 1.00 0.00 C ATOM 491 C ILE A 340 -7.069 -5.470 -3.363 1.00 0.00 C ATOM 492 O ILE A 340 -7.517 -4.679 -2.558 1.00 0.00 O ATOM 493 CB ILE A 340 -4.550 -5.655 -3.191 1.00 0.00 C ATOM 494 CG1 ILE A 340 -3.423 -4.613 -3.214 1.00 0.00 C ATOM 495 CG2 ILE A 340 -3.969 -6.993 -3.683 1.00 0.00 C ATOM 496 CD1 ILE A 340 -3.659 -3.581 -2.113 1.00 0.00 C ATOM 0 H ILE A 340 -5.767 -3.137 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 340 -5.699 -5.714 -5.023 1.00 0.00 H new ATOM 0 HB ILE A 340 -4.939 -5.783 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -2.459 -5.101 -3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -3.388 -4.121 -4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -3.141 -7.289 -3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -4.744 -7.759 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -3.610 -6.880 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -2.858 -2.841 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -4.615 -3.085 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -3.672 -4.080 -1.144 1.00 0.00 H new ATOM 508 N PRO A 341 -7.707 -6.589 -3.647 1.00 0.00 N ATOM 509 CA PRO A 341 -8.999 -6.942 -3.005 1.00 0.00 C ATOM 510 C PRO A 341 -9.015 -6.617 -1.505 1.00 0.00 C ATOM 511 O PRO A 341 -9.922 -5.961 -1.035 1.00 0.00 O ATOM 512 CB PRO A 341 -9.166 -8.449 -3.249 1.00 0.00 C ATOM 513 CG PRO A 341 -8.005 -8.885 -4.093 1.00 0.00 C ATOM 514 CD PRO A 341 -7.291 -7.630 -4.594 1.00 0.00 C ATOM 0 HA PRO A 341 -9.819 -6.361 -3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -9.183 -8.993 -2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -10.110 -8.656 -3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -7.323 -9.506 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -8.349 -9.489 -4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -6.209 -7.759 -4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -7.585 -7.383 -5.614 1.00 0.00 H new ATOM 522 N PRO A 342 -8.021 -7.043 -0.749 1.00 0.00 N ATOM 523 CA PRO A 342 -7.949 -6.746 0.703 1.00 0.00 C ATOM 524 C PRO A 342 -8.574 -5.390 1.054 1.00 0.00 C ATOM 525 O PRO A 342 -8.679 -4.515 0.223 1.00 0.00 O ATOM 526 CB PRO A 342 -6.446 -6.735 0.961 1.00 0.00 C ATOM 527 CG PRO A 342 -5.883 -7.747 0.015 1.00 0.00 C ATOM 528 CD PRO A 342 -6.862 -7.863 -1.163 1.00 0.00 C ATOM 0 HA PRO A 342 -8.501 -7.466 1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -6.022 -5.747 0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -6.221 -6.994 1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -4.897 -7.441 -0.333 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -5.761 -8.710 0.510 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -6.420 -7.491 -2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -7.150 -8.899 -1.342 1.00 0.00 H new ATOM 536 N LEU A 343 -8.997 -5.218 2.277 1.00 0.00 N ATOM 537 CA LEU A 343 -9.626 -3.926 2.679 1.00 0.00 C ATOM 538 C LEU A 343 -8.974 -3.402 3.961 1.00 0.00 C ATOM 539 O LEU A 343 -8.944 -2.213 4.207 1.00 0.00 O ATOM 540 CB LEU A 343 -11.119 -4.147 2.934 1.00 0.00 C ATOM 541 CG LEU A 343 -11.783 -4.713 1.677 1.00 0.00 C ATOM 542 CD1 LEU A 343 -13.236 -5.076 1.990 1.00 0.00 C ATOM 543 CD2 LEU A 343 -11.759 -3.658 0.567 1.00 0.00 C ATOM 0 H LEU A 343 -8.934 -5.917 3.017 1.00 0.00 H new ATOM 0 HA LEU A 343 -9.487 -3.199 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -11.257 -4.834 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -11.592 -3.206 3.214 1.00 0.00 H new ATOM 0 HG LEU A 343 -11.242 -5.601 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -13.711 -5.479 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -13.262 -5.823 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -13.772 -4.184 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -12.232 -4.061 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -12.301 -2.771 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -10.727 -3.390 0.342 1.00 0.00 H new ATOM 555 N HIS A 344 -8.465 -4.281 4.783 1.00 0.00 N ATOM 556 CA HIS A 344 -7.830 -3.835 6.057 1.00 0.00 C ATOM 557 C HIS A 344 -6.326 -4.107 6.014 1.00 0.00 C ATOM 558 O HIS A 344 -5.879 -5.102 5.478 1.00 0.00 O ATOM 559 CB HIS A 344 -8.452 -4.600 7.227 1.00 0.00 C ATOM 560 CG HIS A 344 -9.917 -4.273 7.317 1.00 0.00 C ATOM 561 ND1 HIS A 344 -10.788 -4.997 8.121 1.00 0.00 N ATOM 562 CD2 HIS A 344 -10.682 -3.307 6.710 1.00 0.00 C ATOM 563 CE1 HIS A 344 -12.013 -4.459 7.978 1.00 0.00 C ATOM 564 NE2 HIS A 344 -12.001 -3.429 7.130 1.00 0.00 N ATOM 0 H HIS A 344 -8.462 -5.289 4.627 1.00 0.00 H new ATOM 0 HA HIS A 344 -7.996 -2.765 6.186 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -8.316 -5.672 7.088 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -7.951 -4.333 8.157 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -10.315 -2.567 6.014 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -12.896 -4.817 8.486 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -12.794 -2.852 6.849 1.00 0.00 H new ATOM 573 N ASP A 345 -5.544 -3.228 6.577 1.00 0.00 N ATOM 574 CA ASP A 345 -4.068 -3.428 6.574 1.00 0.00 C ATOM 575 C ASP A 345 -3.673 -4.345 7.733 1.00 0.00 C ATOM 576 O ASP A 345 -3.820 -3.998 8.889 1.00 0.00 O ATOM 577 CB ASP A 345 -3.374 -2.075 6.739 1.00 0.00 C ATOM 578 CG ASP A 345 -1.859 -2.265 6.658 1.00 0.00 C ATOM 579 OD1 ASP A 345 -1.435 -3.378 6.398 1.00 0.00 O ATOM 580 OD2 ASP A 345 -1.148 -1.293 6.860 1.00 0.00 O ATOM 0 H ASP A 345 -5.865 -2.378 7.040 1.00 0.00 H new ATOM 0 HA ASP A 345 -3.765 -3.884 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -3.707 -1.387 5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -3.645 -1.630 7.697 1.00 0.00 H new ATOM 585 N VAL A 346 -3.173 -5.513 7.432 1.00 0.00 N ATOM 586 CA VAL A 346 -2.767 -6.456 8.509 1.00 0.00 C ATOM 587 C VAL A 346 -1.232 -6.580 8.531 1.00 0.00 C ATOM 588 O VAL A 346 -0.646 -7.072 7.586 1.00 0.00 O ATOM 589 CB VAL A 346 -3.375 -7.829 8.218 1.00 0.00 C ATOM 590 CG1 VAL A 346 -4.100 -8.340 9.463 1.00 0.00 C ATOM 591 CG2 VAL A 346 -4.373 -7.705 7.063 1.00 0.00 C ATOM 0 H VAL A 346 -3.028 -5.854 6.482 1.00 0.00 H new ATOM 0 HA VAL A 346 -3.117 -6.087 9.473 1.00 0.00 H new ATOM 0 HB VAL A 346 -2.584 -8.528 7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -4.533 -9.318 9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -3.392 -8.424 10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -4.892 -7.642 9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 346 -4.809 -8.682 6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -5.163 -7.007 7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -3.858 -7.338 6.175 1.00 0.00 H new ATOM 601 N PRO A 347 -0.570 -6.160 9.591 1.00 0.00 N ATOM 602 CA PRO A 347 0.917 -6.266 9.681 1.00 0.00 C ATOM 603 C PRO A 347 1.402 -7.708 9.499 1.00 0.00 C ATOM 604 O PRO A 347 0.788 -8.644 9.973 1.00 0.00 O ATOM 605 CB PRO A 347 1.256 -5.781 11.093 1.00 0.00 C ATOM 606 CG PRO A 347 0.065 -5.019 11.572 1.00 0.00 C ATOM 607 CD PRO A 347 -1.146 -5.534 10.795 1.00 0.00 C ATOM 0 HA PRO A 347 1.400 -5.682 8.897 1.00 0.00 H new ATOM 0 HB2 PRO A 347 1.470 -6.622 11.752 1.00 0.00 H new ATOM 0 HB3 PRO A 347 2.144 -5.149 11.084 1.00 0.00 H new ATOM 0 HG2 PRO A 347 -0.077 -5.161 12.643 1.00 0.00 H new ATOM 0 HG3 PRO A 347 0.201 -3.950 11.408 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -1.718 -6.253 11.382 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -1.825 -4.722 10.535 1.00 0.00 H new ATOM 615 N LYS A 348 2.501 -7.894 8.820 1.00 0.00 N ATOM 616 CA LYS A 348 3.026 -9.273 8.612 1.00 0.00 C ATOM 617 C LYS A 348 4.475 -9.202 8.129 1.00 0.00 C ATOM 618 O LYS A 348 5.351 -9.862 8.652 1.00 0.00 O ATOM 619 CB LYS A 348 2.174 -9.991 7.562 1.00 0.00 C ATOM 620 CG LYS A 348 2.630 -11.446 7.445 1.00 0.00 C ATOM 621 CD LYS A 348 1.824 -12.148 6.351 1.00 0.00 C ATOM 622 CE LYS A 348 2.175 -13.636 6.333 1.00 0.00 C ATOM 623 NZ LYS A 348 3.655 -13.799 6.386 1.00 0.00 N ATOM 0 H LYS A 348 3.058 -7.150 8.400 1.00 0.00 H new ATOM 0 HA LYS A 348 2.984 -9.822 9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 348 1.121 -9.950 7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 348 2.267 -9.491 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 348 3.694 -11.487 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 348 2.494 -11.958 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 348 0.757 -12.018 6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 348 2.041 -11.701 5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 348 1.713 -14.140 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 348 1.779 -14.103 5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 3.914 -14.739 6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 4.106 -13.067 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 3.980 -13.705 7.370 1.00 0.00 H new ATOM 637 N GLY A 349 4.731 -8.405 7.131 1.00 0.00 N ATOM 638 CA GLY A 349 6.119 -8.283 6.602 1.00 0.00 C ATOM 639 C GLY A 349 6.197 -7.073 5.672 1.00 0.00 C ATOM 640 O GLY A 349 5.280 -6.279 5.596 1.00 0.00 O ATOM 0 H GLY A 349 4.036 -7.829 6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 349 6.826 -8.171 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 349 6.397 -9.189 6.064 1.00 0.00 H new ATOM 644 N ASP A 350 7.277 -6.925 4.958 1.00 0.00 N ATOM 645 CA ASP A 350 7.398 -5.769 4.035 1.00 0.00 C ATOM 646 C ASP A 350 6.307 -5.873 2.969 1.00 0.00 C ATOM 647 O ASP A 350 5.965 -6.951 2.525 1.00 0.00 O ATOM 648 CB ASP A 350 8.774 -5.798 3.367 1.00 0.00 C ATOM 649 CG ASP A 350 9.857 -5.554 4.419 1.00 0.00 C ATOM 650 OD1 ASP A 350 9.510 -5.146 5.515 1.00 0.00 O ATOM 651 OD2 ASP A 350 11.016 -5.781 4.111 1.00 0.00 O ATOM 0 H ASP A 350 8.079 -7.555 4.975 1.00 0.00 H new ATOM 0 HA ASP A 350 7.286 -4.836 4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 350 8.934 -6.761 2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 350 8.829 -5.036 2.590 1.00 0.00 H new ATOM 656 N TRP A 351 5.750 -4.768 2.559 1.00 0.00 N ATOM 657 CA TRP A 351 4.675 -4.822 1.531 1.00 0.00 C ATOM 658 C TRP A 351 5.293 -4.724 0.137 1.00 0.00 C ATOM 659 O TRP A 351 6.095 -3.858 -0.137 1.00 0.00 O ATOM 660 CB TRP A 351 3.708 -3.656 1.743 1.00 0.00 C ATOM 661 CG TRP A 351 3.010 -3.819 3.054 1.00 0.00 C ATOM 662 CD1 TRP A 351 3.287 -3.114 4.175 1.00 0.00 C ATOM 663 CD2 TRP A 351 1.927 -4.730 3.401 1.00 0.00 C ATOM 664 NE1 TRP A 351 2.444 -3.535 5.188 1.00 0.00 N ATOM 665 CE2 TRP A 351 1.587 -4.529 4.760 1.00 0.00 C ATOM 666 CE3 TRP A 351 1.214 -5.701 2.675 1.00 0.00 C ATOM 667 CZ2 TRP A 351 0.575 -5.265 5.377 1.00 0.00 C ATOM 668 CZ3 TRP A 351 0.194 -6.445 3.294 1.00 0.00 C ATOM 669 CH2 TRP A 351 -0.124 -6.226 4.641 1.00 0.00 C ATOM 0 H TRP A 351 5.992 -3.834 2.890 1.00 0.00 H new ATOM 0 HA TRP A 351 4.135 -5.764 1.622 1.00 0.00 H new ATOM 0 HB2 TRP A 351 4.251 -2.711 1.723 1.00 0.00 H new ATOM 0 HB3 TRP A 351 2.980 -3.622 0.933 1.00 0.00 H new ATOM 0 HD1 TRP A 351 4.043 -2.348 4.264 1.00 0.00 H new ATOM 0 HE1 TRP A 351 2.454 -3.157 6.135 1.00 0.00 H new ATOM 0 HE3 TRP A 351 1.451 -5.876 1.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 0.333 -5.093 6.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 -0.347 -7.189 2.728 1.00 0.00 H new ATOM 0 HH2 TRP A 351 -0.909 -6.800 5.111 1.00 0.00 H new ATOM 680 N ARG A 352 4.924 -5.612 -0.743 1.00 0.00 N ATOM 681 CA ARG A 352 5.478 -5.581 -2.124 1.00 0.00 C ATOM 682 C ARG A 352 4.334 -5.642 -3.135 1.00 0.00 C ATOM 683 O ARG A 352 3.417 -6.427 -2.999 1.00 0.00 O ATOM 684 CB ARG A 352 6.402 -6.781 -2.329 1.00 0.00 C ATOM 685 CG ARG A 352 7.636 -6.634 -1.439 1.00 0.00 C ATOM 686 CD ARG A 352 8.623 -7.754 -1.762 1.00 0.00 C ATOM 687 NE ARG A 352 9.764 -7.702 -0.806 1.00 0.00 N ATOM 688 CZ ARG A 352 10.905 -8.252 -1.121 1.00 0.00 C ATOM 689 NH1 ARG A 352 11.048 -8.845 -2.274 1.00 0.00 N ATOM 690 NH2 ARG A 352 11.903 -8.209 -0.281 1.00 0.00 N ATOM 0 H ARG A 352 4.258 -6.363 -0.563 1.00 0.00 H new ATOM 0 HA ARG A 352 6.041 -4.659 -2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 352 5.875 -7.704 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 352 6.701 -6.848 -3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 352 8.103 -5.663 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 352 7.349 -6.677 -0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 352 8.125 -8.722 -1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 352 8.986 -7.649 -2.784 1.00 0.00 H new ATOM 0 HE ARG A 352 9.654 -7.237 0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 352 10.268 -8.879 -2.930 1.00 0.00 H new ATOM 0 HH12 ARG A 352 11.940 -9.275 -2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 352 11.791 -7.746 0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 352 12.795 -8.639 -0.526 1.00 0.00 H new ATOM 704 N CYS A 353 4.387 -4.838 -4.159 1.00 0.00 N ATOM 705 CA CYS A 353 3.312 -4.877 -5.183 1.00 0.00 C ATOM 706 C CYS A 353 3.331 -6.265 -5.828 1.00 0.00 C ATOM 707 O CYS A 353 4.356 -6.916 -5.854 1.00 0.00 O ATOM 708 CB CYS A 353 3.572 -3.810 -6.244 1.00 0.00 C ATOM 709 SG CYS A 353 4.233 -2.319 -5.466 1.00 0.00 S ATOM 0 H CYS A 353 5.127 -4.157 -4.330 1.00 0.00 H new ATOM 0 HA CYS A 353 2.342 -4.682 -4.726 1.00 0.00 H new ATOM 0 HB2 CYS A 353 4.276 -4.186 -6.986 1.00 0.00 H new ATOM 0 HB3 CYS A 353 2.647 -3.576 -6.772 1.00 0.00 H new ATOM 0 HG CYS A 353 5.347 -2.603 -4.860 1.00 0.00 H new ATOM 714 N PRO A 354 2.220 -6.738 -6.331 1.00 0.00 N ATOM 715 CA PRO A 354 2.166 -8.089 -6.951 1.00 0.00 C ATOM 716 C PRO A 354 3.329 -8.315 -7.922 1.00 0.00 C ATOM 717 O PRO A 354 3.938 -9.366 -7.930 1.00 0.00 O ATOM 718 CB PRO A 354 0.837 -8.093 -7.710 1.00 0.00 C ATOM 719 CG PRO A 354 -0.017 -7.053 -7.060 1.00 0.00 C ATOM 720 CD PRO A 354 0.916 -6.058 -6.361 1.00 0.00 C ATOM 0 HA PRO A 354 2.242 -8.881 -6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 354 0.991 -7.867 -8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 354 0.363 -9.073 -7.660 1.00 0.00 H new ATOM 0 HG2 PRO A 354 -0.633 -6.544 -7.802 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.697 -7.510 -6.341 1.00 0.00 H new ATOM 0 HD2 PRO A 354 0.972 -5.116 -6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 354 0.566 -5.825 -5.355 1.00 0.00 H new ATOM 728 N LYS A 355 3.670 -7.333 -8.710 1.00 0.00 N ATOM 729 CA LYS A 355 4.820 -7.509 -9.641 1.00 0.00 C ATOM 730 C LYS A 355 6.103 -7.599 -8.819 1.00 0.00 C ATOM 731 O LYS A 355 7.006 -8.352 -9.127 1.00 0.00 O ATOM 732 CB LYS A 355 4.903 -6.323 -10.602 1.00 0.00 C ATOM 733 CG LYS A 355 5.150 -5.047 -9.802 1.00 0.00 C ATOM 734 CD LYS A 355 5.123 -3.839 -10.739 1.00 0.00 C ATOM 735 CE LYS A 355 5.651 -2.607 -10.000 1.00 0.00 C ATOM 736 NZ LYS A 355 4.707 -1.470 -10.193 1.00 0.00 N ATOM 0 H LYS A 355 3.207 -6.425 -8.750 1.00 0.00 H new ATOM 0 HA LYS A 355 4.686 -8.420 -10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 355 5.708 -6.477 -11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 355 3.978 -6.236 -11.172 1.00 0.00 H new ATOM 0 HG2 LYS A 355 4.389 -4.937 -9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.113 -5.105 -9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 355 5.732 -4.036 -11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 355 4.106 -3.659 -11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 355 5.761 -2.826 -8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 355 6.639 -2.341 -10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 5.065 -0.632 -9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 4.624 -1.256 -11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 3.773 -1.727 -9.815 1.00 0.00 H new ATOM 750 N CYS A 356 6.182 -6.833 -7.767 1.00 0.00 N ATOM 751 CA CYS A 356 7.388 -6.859 -6.904 1.00 0.00 C ATOM 752 C CYS A 356 7.497 -8.229 -6.233 1.00 0.00 C ATOM 753 O CYS A 356 8.576 -8.747 -6.029 1.00 0.00 O ATOM 754 CB CYS A 356 7.273 -5.756 -5.847 1.00 0.00 C ATOM 755 SG CYS A 356 7.421 -4.142 -6.656 1.00 0.00 S ATOM 0 H CYS A 356 5.453 -6.185 -7.468 1.00 0.00 H new ATOM 0 HA CYS A 356 8.282 -6.686 -7.503 1.00 0.00 H new ATOM 0 HB2 CYS A 356 6.317 -5.830 -5.328 1.00 0.00 H new ATOM 0 HB3 CYS A 356 8.054 -5.873 -5.095 1.00 0.00 H new ATOM 0 HG CYS A 356 6.397 -3.405 -6.344 1.00 0.00 H new ATOM 760 N LEU A 357 6.385 -8.820 -5.890 1.00 0.00 N ATOM 761 CA LEU A 357 6.424 -10.159 -5.236 1.00 0.00 C ATOM 762 C LEU A 357 7.100 -11.163 -6.171 1.00 0.00 C ATOM 763 O LEU A 357 7.823 -12.040 -5.739 1.00 0.00 O ATOM 764 CB LEU A 357 4.997 -10.620 -4.933 1.00 0.00 C ATOM 765 CG LEU A 357 5.035 -11.943 -4.163 1.00 0.00 C ATOM 766 CD1 LEU A 357 5.593 -11.710 -2.756 1.00 0.00 C ATOM 767 CD2 LEU A 357 3.617 -12.509 -4.059 1.00 0.00 C ATOM 0 H LEU A 357 5.452 -8.434 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 357 6.988 -10.094 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 357 4.476 -9.862 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 357 4.440 -10.744 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 357 5.676 -12.649 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 357 5.617 -12.655 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 357 6.603 -11.306 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 357 4.956 -11.003 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 357 3.641 -13.451 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 357 2.980 -11.799 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 357 3.220 -12.681 -5.059 1.00 0.00 H new ATOM 779 N ALA A 358 6.869 -11.043 -7.448 1.00 0.00 N ATOM 780 CA ALA A 358 7.494 -11.990 -8.414 1.00 0.00 C ATOM 781 C ALA A 358 9.017 -11.863 -8.345 1.00 0.00 C ATOM 782 O ALA A 358 9.739 -12.812 -8.578 1.00 0.00 O ATOM 783 CB ALA A 358 7.018 -11.661 -9.830 1.00 0.00 C ATOM 0 H ALA A 358 6.273 -10.328 -7.866 1.00 0.00 H new ATOM 0 HA ALA A 358 7.205 -13.010 -8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 358 7.475 -12.353 -10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 358 5.933 -11.754 -9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 358 7.307 -10.641 -10.083 1.00 0.00 H new ATOM 789 N GLN A 359 9.511 -10.698 -8.029 1.00 0.00 N ATOM 790 CA GLN A 359 10.987 -10.514 -7.950 1.00 0.00 C ATOM 791 C GLN A 359 11.569 -11.491 -6.927 1.00 0.00 C ATOM 792 O GLN A 359 12.666 -11.988 -7.084 1.00 0.00 O ATOM 793 CB GLN A 359 11.301 -9.078 -7.521 1.00 0.00 C ATOM 794 CG GLN A 359 10.811 -8.105 -8.595 1.00 0.00 C ATOM 795 CD GLN A 359 11.221 -6.681 -8.220 1.00 0.00 C ATOM 796 OE1 GLN A 359 10.969 -5.749 -8.958 1.00 0.00 O ATOM 797 NE2 GLN A 359 11.847 -6.470 -7.095 1.00 0.00 N ATOM 0 H GLN A 359 8.957 -9.867 -7.822 1.00 0.00 H new ATOM 0 HA GLN A 359 11.429 -10.706 -8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 359 10.818 -8.858 -6.569 1.00 0.00 H new ATOM 0 HB3 GLN A 359 12.374 -8.959 -7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 359 11.233 -8.373 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 359 9.727 -8.169 -8.691 1.00 0.00 H new ATOM 0 HE21 GLN A 359 12.059 -7.252 -6.475 1.00 0.00 H new ATOM 0 HE22 GLN A 359 12.124 -5.523 -6.836 1.00 0.00 H new ATOM 806 N GLU A 360 10.843 -11.770 -5.880 1.00 0.00 N ATOM 807 CA GLU A 360 11.352 -12.715 -4.850 1.00 0.00 C ATOM 808 C GLU A 360 11.611 -14.079 -5.493 1.00 0.00 C ATOM 809 O GLU A 360 11.922 -15.006 -4.762 1.00 0.00 O ATOM 810 CB GLU A 360 10.310 -12.861 -3.742 1.00 0.00 C ATOM 811 CG GLU A 360 10.113 -11.514 -3.043 1.00 0.00 C ATOM 812 CD GLU A 360 9.129 -11.680 -1.885 1.00 0.00 C ATOM 813 OE1 GLU A 360 8.518 -12.732 -1.798 1.00 0.00 O ATOM 814 OE2 GLU A 360 9.003 -10.751 -1.103 1.00 0.00 O ATOM 815 OXT GLU A 360 11.494 -14.174 -6.704 1.00 0.00 O ATOM 0 H GLU A 360 9.918 -11.383 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 360 12.282 -12.332 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 360 9.365 -13.207 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 360 10.633 -13.612 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 360 11.068 -11.141 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 360 9.736 -10.776 -3.751 1.00 0.00 H new