USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=12 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 312 CYS SG : rot -138:sc= -1.23 USER MOD Set 1.2: A 315 CYS SG : rot 180:sc= -0.154 USER MOD Set 1.3: A 335 HIS : no HD1:sc= -7.2! C(o=-9.8!,f=-11!) USER MOD Set 1.4: A 338 CYS SG : rot 114:sc= -1.19 USER MOD Set 2.1: A 327 CYS SG : rot -139:sc= -0.884 USER MOD Set 2.2: A 330 CYS SG : rot -80:sc= -3.22! USER MOD Set 2.3: A 353 CYS SG : rot 56:sc= 0.303 USER MOD Set 2.4: A 356 CYS SG : rot 33:sc= -2.15! 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= -0.145 X(o=-0.14,f=0) USER MOD Single : A 333 SER OG : rot 180:sc= -2.68! USER MOD Single : A 334 TYR OH : rot 167:sc= 0.719 USER MOD Single : A 336 THR OG1 : rot 100:sc= -4.38! USER MOD Single : A 344 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.38) USER MOD Single : A 348 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 309 3.461 12.975 4.995 1.00 0.00 N ATOM 42 CA LEU A 309 4.750 12.529 4.397 1.00 0.00 C ATOM 43 C LEU A 309 4.482 11.462 3.334 1.00 0.00 C ATOM 44 O LEU A 309 5.138 11.417 2.312 1.00 0.00 O ATOM 45 CB LEU A 309 5.645 11.943 5.493 1.00 0.00 C ATOM 46 CG LEU A 309 5.866 12.987 6.589 1.00 0.00 C ATOM 47 CD1 LEU A 309 6.817 12.422 7.646 1.00 0.00 C ATOM 48 CD2 LEU A 309 6.479 14.249 5.978 1.00 0.00 C ATOM 0 HA LEU A 309 5.248 13.382 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 309 5.183 11.050 5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 309 6.602 11.637 5.070 1.00 0.00 H new ATOM 0 HG LEU A 309 4.910 13.234 7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 309 6.975 13.165 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 309 6.383 11.523 8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 309 7.772 12.175 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 309 6.636 14.992 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 309 7.434 14.002 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 309 5.804 14.653 5.224 1.00 0.00 H new ATOM 60 N TYR A 310 3.524 10.603 3.568 1.00 0.00 N ATOM 61 CA TYR A 310 3.211 9.537 2.574 1.00 0.00 C ATOM 62 C TYR A 310 1.752 9.641 2.125 1.00 0.00 C ATOM 63 O TYR A 310 0.847 9.740 2.928 1.00 0.00 O ATOM 64 CB TYR A 310 3.448 8.163 3.203 1.00 0.00 C ATOM 65 CG TYR A 310 4.891 7.764 3.014 1.00 0.00 C ATOM 66 CD1 TYR A 310 5.339 7.359 1.752 1.00 0.00 C ATOM 67 CD2 TYR A 310 5.779 7.800 4.095 1.00 0.00 C ATOM 68 CE1 TYR A 310 6.675 6.987 1.569 1.00 0.00 C ATOM 69 CE2 TYR A 310 7.116 7.428 3.913 1.00 0.00 C ATOM 70 CZ TYR A 310 7.565 7.022 2.650 1.00 0.00 C ATOM 71 OH TYR A 310 8.883 6.655 2.470 1.00 0.00 O ATOM 0 H TYR A 310 2.944 10.595 4.407 1.00 0.00 H new ATOM 0 HA TYR A 310 3.861 9.664 1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 310 3.204 8.191 4.265 1.00 0.00 H new ATOM 0 HB3 TYR A 310 2.792 7.423 2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.653 7.334 0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 310 5.433 8.114 5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 310 7.020 6.673 0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 310 7.802 7.454 4.747 1.00 0.00 H new ATOM 0 HH TYR A 310 9.364 6.737 3.320 1.00 0.00 H new ATOM 81 N VAL A 311 1.525 9.601 0.841 1.00 0.00 N ATOM 82 CA VAL A 311 0.133 9.676 0.317 1.00 0.00 C ATOM 83 C VAL A 311 -0.066 8.548 -0.694 1.00 0.00 C ATOM 84 O VAL A 311 0.885 7.994 -1.207 1.00 0.00 O ATOM 85 CB VAL A 311 -0.093 11.026 -0.369 1.00 0.00 C ATOM 86 CG1 VAL A 311 0.276 12.156 0.593 1.00 0.00 C ATOM 87 CG2 VAL A 311 0.781 11.115 -1.621 1.00 0.00 C ATOM 0 H VAL A 311 2.250 9.519 0.128 1.00 0.00 H new ATOM 0 HA VAL A 311 -0.578 9.575 1.137 1.00 0.00 H new ATOM 0 HB VAL A 311 -1.142 11.118 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 311 0.115 13.117 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -0.348 12.093 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 311 1.324 12.064 0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 311 0.620 12.076 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 311 1.830 11.022 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 311 0.517 10.310 -2.307 1.00 0.00 H new ATOM 97 N CYS A 312 -1.286 8.198 -0.990 1.00 0.00 N ATOM 98 CA CYS A 312 -1.515 7.103 -1.971 1.00 0.00 C ATOM 99 C CYS A 312 -1.417 7.674 -3.386 1.00 0.00 C ATOM 100 O CYS A 312 -2.185 8.528 -3.772 1.00 0.00 O ATOM 101 CB CYS A 312 -2.902 6.498 -1.745 1.00 0.00 C ATOM 102 SG CYS A 312 -3.280 5.320 -3.066 1.00 0.00 S ATOM 0 H CYS A 312 -2.128 8.619 -0.598 1.00 0.00 H new ATOM 0 HA CYS A 312 -0.764 6.324 -1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -2.937 5.997 -0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -3.654 7.287 -1.723 1.00 0.00 H new ATOM 0 HG CYS A 312 -4.514 5.475 -3.445 1.00 0.00 H new ATOM 107 N LEU A 313 -0.474 7.217 -4.161 1.00 0.00 N ATOM 108 CA LEU A 313 -0.331 7.748 -5.541 1.00 0.00 C ATOM 109 C LEU A 313 -1.631 7.519 -6.311 1.00 0.00 C ATOM 110 O LEU A 313 -2.049 8.339 -7.104 1.00 0.00 O ATOM 111 CB LEU A 313 0.815 7.021 -6.244 1.00 0.00 C ATOM 112 CG LEU A 313 2.103 7.182 -5.433 1.00 0.00 C ATOM 113 CD1 LEU A 313 3.264 6.529 -6.187 1.00 0.00 C ATOM 114 CD2 LEU A 313 2.402 8.669 -5.235 1.00 0.00 C ATOM 0 H LEU A 313 0.202 6.500 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 313 -0.117 8.816 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 313 0.574 5.964 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 313 0.953 7.424 -7.247 1.00 0.00 H new ATOM 0 HG LEU A 313 1.981 6.703 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 313 4.182 6.643 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 313 3.055 5.469 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 313 3.383 7.010 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 313 3.319 8.782 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 313 2.524 9.148 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 313 1.576 9.138 -4.700 1.00 0.00 H new ATOM 126 N LEU A 314 -2.269 6.406 -6.086 1.00 0.00 N ATOM 127 CA LEU A 314 -3.538 6.114 -6.802 1.00 0.00 C ATOM 128 C LEU A 314 -4.616 7.120 -6.389 1.00 0.00 C ATOM 129 O LEU A 314 -5.437 7.520 -7.190 1.00 0.00 O ATOM 130 CB LEU A 314 -3.983 4.690 -6.456 1.00 0.00 C ATOM 131 CG LEU A 314 -2.861 3.708 -6.813 1.00 0.00 C ATOM 132 CD1 LEU A 314 -3.345 2.279 -6.593 1.00 0.00 C ATOM 133 CD2 LEU A 314 -2.464 3.883 -8.281 1.00 0.00 C ATOM 0 H LEU A 314 -1.964 5.683 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 314 -3.383 6.198 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -4.220 4.619 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -4.891 4.437 -7.003 1.00 0.00 H new ATOM 0 HG LEU A 314 -1.998 3.907 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -2.547 1.581 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -3.624 2.146 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -4.211 2.086 -7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -1.666 3.182 -8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -3.328 3.689 -8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -2.115 4.903 -8.444 1.00 0.00 H new ATOM 145 N CYS A 315 -4.618 7.534 -5.151 1.00 0.00 N ATOM 146 CA CYS A 315 -5.644 8.520 -4.693 1.00 0.00 C ATOM 147 C CYS A 315 -4.976 9.864 -4.404 1.00 0.00 C ATOM 148 O CYS A 315 -5.299 10.873 -4.999 1.00 0.00 O ATOM 149 CB CYS A 315 -6.307 8.014 -3.412 1.00 0.00 C ATOM 150 SG CYS A 315 -6.889 6.315 -3.649 1.00 0.00 S ATOM 0 H CYS A 315 -3.955 7.234 -4.436 1.00 0.00 H new ATOM 0 HA CYS A 315 -6.393 8.641 -5.476 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -5.598 8.053 -2.585 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.143 8.660 -3.145 1.00 0.00 H new ATOM 0 HG CYS A 315 -7.449 5.892 -2.555 1.00 0.00 H new ATOM 155 N GLY A 316 -4.052 9.881 -3.486 1.00 0.00 N ATOM 156 CA GLY A 316 -3.362 11.155 -3.139 1.00 0.00 C ATOM 157 C GLY A 316 -4.240 11.945 -2.170 1.00 0.00 C ATOM 158 O GLY A 316 -4.186 13.157 -2.111 1.00 0.00 O ATOM 0 H GLY A 316 -3.743 9.064 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -2.393 10.947 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -3.174 11.739 -4.040 1.00 0.00 H new ATOM 162 N SER A 317 -5.055 11.261 -1.414 1.00 0.00 N ATOM 163 CA SER A 317 -5.949 11.963 -0.449 1.00 0.00 C ATOM 164 C SER A 317 -5.190 12.260 0.845 1.00 0.00 C ATOM 165 O SER A 317 -4.659 13.336 1.033 1.00 0.00 O ATOM 166 CB SER A 317 -7.154 11.074 -0.138 1.00 0.00 C ATOM 167 OG SER A 317 -8.288 11.555 -0.845 1.00 0.00 O ATOM 0 H SER A 317 -5.141 10.245 -1.423 1.00 0.00 H new ATOM 0 HA SER A 317 -6.286 12.902 -0.889 1.00 0.00 H new ATOM 0 HB2 SER A 317 -6.943 10.043 -0.424 1.00 0.00 H new ATOM 0 HB3 SER A 317 -7.353 11.073 0.934 1.00 0.00 H new ATOM 0 HG SER A 317 -9.061 10.986 -0.649 1.00 0.00 H new ATOM 173 N GLY A 318 -5.140 11.314 1.742 1.00 0.00 N ATOM 174 CA GLY A 318 -4.421 11.538 3.028 1.00 0.00 C ATOM 175 C GLY A 318 -5.098 10.730 4.138 1.00 0.00 C ATOM 176 O GLY A 318 -4.465 9.960 4.831 1.00 0.00 O ATOM 0 H GLY A 318 -5.567 10.393 1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -3.377 11.239 2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -4.426 12.598 3.280 1.00 0.00 H new ATOM 180 N ASN A 319 -6.380 10.893 4.312 1.00 0.00 N ATOM 181 CA ASN A 319 -7.085 10.123 5.376 1.00 0.00 C ATOM 182 C ASN A 319 -6.859 8.628 5.160 1.00 0.00 C ATOM 183 O ASN A 319 -6.685 7.873 6.095 1.00 0.00 O ATOM 184 CB ASN A 319 -8.583 10.420 5.316 1.00 0.00 C ATOM 185 CG ASN A 319 -9.287 9.709 6.471 1.00 0.00 C ATOM 186 OD1 ASN A 319 -9.425 10.257 7.547 1.00 0.00 O ATOM 187 ND2 ASN A 319 -9.732 8.494 6.294 1.00 0.00 N ATOM 0 H ASN A 319 -6.968 11.523 3.767 1.00 0.00 H new ATOM 0 HA ASN A 319 -6.694 10.415 6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -8.755 11.495 5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -8.994 10.085 4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -10.196 8.004 7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -9.616 8.035 5.391 1.00 0.00 H new ATOM 194 N ASP A 320 -6.862 8.195 3.932 1.00 0.00 N ATOM 195 CA ASP A 320 -6.649 6.753 3.647 1.00 0.00 C ATOM 196 C ASP A 320 -5.218 6.373 4.030 1.00 0.00 C ATOM 197 O ASP A 320 -4.841 5.217 4.001 1.00 0.00 O ATOM 198 CB ASP A 320 -6.874 6.496 2.159 1.00 0.00 C ATOM 199 CG ASP A 320 -8.334 6.786 1.805 1.00 0.00 C ATOM 200 OD1 ASP A 320 -9.137 6.883 2.719 1.00 0.00 O ATOM 201 OD2 ASP A 320 -8.624 6.908 0.627 1.00 0.00 O ATOM 0 H ASP A 320 -7.004 8.782 3.110 1.00 0.00 H new ATOM 0 HA ASP A 320 -7.350 6.151 4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -6.213 7.128 1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -6.629 5.462 1.917 1.00 0.00 H new ATOM 206 N GLU A 321 -4.418 7.340 4.385 1.00 0.00 N ATOM 207 CA GLU A 321 -3.009 7.046 4.768 1.00 0.00 C ATOM 208 C GLU A 321 -2.980 5.963 5.848 1.00 0.00 C ATOM 209 O GLU A 321 -2.031 5.213 5.960 1.00 0.00 O ATOM 210 CB GLU A 321 -2.352 8.322 5.303 1.00 0.00 C ATOM 211 CG GLU A 321 -0.892 8.039 5.658 1.00 0.00 C ATOM 212 CD GLU A 321 -0.262 9.293 6.268 1.00 0.00 C ATOM 213 OE1 GLU A 321 -0.969 10.277 6.413 1.00 0.00 O ATOM 214 OE2 GLU A 321 0.916 9.247 6.580 1.00 0.00 O ATOM 0 H GLU A 321 -4.681 8.325 4.426 1.00 0.00 H new ATOM 0 HA GLU A 321 -2.463 6.693 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -2.408 9.113 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -2.888 8.677 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.832 7.210 6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -0.341 7.740 4.766 1.00 0.00 H new ATOM 221 N ASP A 322 -4.007 5.873 6.646 1.00 0.00 N ATOM 222 CA ASP A 322 -4.030 4.838 7.716 1.00 0.00 C ATOM 223 C ASP A 322 -3.887 3.445 7.095 1.00 0.00 C ATOM 224 O ASP A 322 -3.234 2.578 7.643 1.00 0.00 O ATOM 225 CB ASP A 322 -5.356 4.928 8.471 1.00 0.00 C ATOM 226 CG ASP A 322 -5.414 6.244 9.247 1.00 0.00 C ATOM 227 OD1 ASP A 322 -4.385 6.891 9.357 1.00 0.00 O ATOM 228 OD2 ASP A 322 -6.486 6.584 9.721 1.00 0.00 O ATOM 0 H ASP A 322 -4.832 6.472 6.603 1.00 0.00 H new ATOM 0 HA ASP A 322 -3.202 5.008 8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -6.190 4.869 7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -5.455 4.085 9.155 1.00 0.00 H new ATOM 233 N ARG A 323 -4.495 3.220 5.961 1.00 0.00 N ATOM 234 CA ARG A 323 -4.397 1.882 5.310 1.00 0.00 C ATOM 235 C ARG A 323 -3.446 1.949 4.111 1.00 0.00 C ATOM 236 O ARG A 323 -3.407 1.055 3.291 1.00 0.00 O ATOM 237 CB ARG A 323 -5.780 1.432 4.837 1.00 0.00 C ATOM 238 CG ARG A 323 -6.700 1.252 6.046 1.00 0.00 C ATOM 239 CD ARG A 323 -8.013 0.607 5.596 1.00 0.00 C ATOM 240 NE ARG A 323 -8.979 0.602 6.729 1.00 0.00 N ATOM 241 CZ ARG A 323 -9.714 1.654 6.966 1.00 0.00 C ATOM 242 NH1 ARG A 323 -9.601 2.712 6.211 1.00 0.00 N ATOM 243 NH2 ARG A 323 -10.562 1.649 7.958 1.00 0.00 N ATOM 0 H ARG A 323 -5.056 3.906 5.457 1.00 0.00 H new ATOM 0 HA ARG A 323 -4.011 1.166 6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -6.200 2.170 4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -5.700 0.496 4.285 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -6.214 0.628 6.796 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -6.898 2.217 6.513 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -8.430 1.156 4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -7.831 -0.412 5.255 1.00 0.00 H new ATOM 0 HE ARG A 323 -9.066 -0.224 7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -8.938 2.717 5.436 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -10.175 3.534 6.396 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -10.651 0.822 8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -11.136 2.472 8.142 1.00 0.00 H new ATOM 257 N LEU A 324 -2.679 2.998 4.000 1.00 0.00 N ATOM 258 CA LEU A 324 -1.737 3.109 2.849 1.00 0.00 C ATOM 259 C LEU A 324 -0.465 2.319 3.149 1.00 0.00 C ATOM 260 O LEU A 324 0.147 2.475 4.187 1.00 0.00 O ATOM 261 CB LEU A 324 -1.388 4.580 2.615 1.00 0.00 C ATOM 262 CG LEU A 324 -0.327 4.694 1.521 1.00 0.00 C ATOM 263 CD1 LEU A 324 -0.828 4.009 0.250 1.00 0.00 C ATOM 264 CD2 LEU A 324 -0.058 6.172 1.229 1.00 0.00 C ATOM 0 H LEU A 324 -2.663 3.781 4.653 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.208 2.703 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.282 5.134 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -1.020 5.027 3.539 1.00 0.00 H new ATOM 0 HG LEU A 324 0.593 4.213 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -0.071 4.091 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -1.024 2.957 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -1.747 4.490 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 324 0.699 6.257 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -0.979 6.650 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 324 0.298 6.663 2.135 1.00 0.00 H new ATOM 276 N LEU A 325 -0.069 1.465 2.245 1.00 0.00 N ATOM 277 CA LEU A 325 1.158 0.654 2.466 1.00 0.00 C ATOM 278 C LEU A 325 2.282 1.137 1.551 1.00 0.00 C ATOM 279 O LEU A 325 2.083 1.364 0.374 1.00 0.00 O ATOM 280 CB LEU A 325 0.864 -0.810 2.133 1.00 0.00 C ATOM 281 CG LEU A 325 -0.344 -1.293 2.930 1.00 0.00 C ATOM 282 CD1 LEU A 325 -0.604 -2.767 2.608 1.00 0.00 C ATOM 283 CD2 LEU A 325 -0.056 -1.138 4.425 1.00 0.00 C ATOM 0 H LEU A 325 -0.546 1.295 1.360 1.00 0.00 H new ATOM 0 HA LEU A 325 1.462 0.757 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 325 0.672 -0.917 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 325 1.733 -1.426 2.365 1.00 0.00 H new ATOM 0 HG LEU A 325 -1.221 -0.703 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -1.467 -3.117 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -0.802 -2.877 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.271 -3.358 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -0.917 -1.482 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.818 -1.732 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 325 0.136 -0.089 4.652 1.00 0.00 H new ATOM 295 N LEU A 326 3.470 1.255 2.070 1.00 0.00 N ATOM 296 CA LEU A 326 4.612 1.675 1.218 1.00 0.00 C ATOM 297 C LEU A 326 5.346 0.410 0.782 1.00 0.00 C ATOM 298 O LEU A 326 5.748 -0.393 1.600 1.00 0.00 O ATOM 299 CB LEU A 326 5.556 2.579 2.020 1.00 0.00 C ATOM 300 CG LEU A 326 6.739 3.022 1.148 1.00 0.00 C ATOM 301 CD1 LEU A 326 6.284 4.089 0.151 1.00 0.00 C ATOM 302 CD2 LEU A 326 7.835 3.604 2.043 1.00 0.00 C ATOM 0 H LEU A 326 3.699 1.078 3.048 1.00 0.00 H new ATOM 0 HA LEU A 326 4.261 2.234 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 326 5.014 3.453 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 326 5.922 2.046 2.898 1.00 0.00 H new ATOM 0 HG LEU A 326 7.123 2.161 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 326 7.130 4.397 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 326 5.501 3.680 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 326 5.896 4.951 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 326 8.677 3.920 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 326 7.442 4.462 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 326 8.167 2.845 2.751 1.00 0.00 H new ATOM 314 N CYS A 327 5.511 0.208 -0.494 1.00 0.00 N ATOM 315 CA CYS A 327 6.203 -1.025 -0.949 1.00 0.00 C ATOM 316 C CYS A 327 7.706 -0.795 -1.016 1.00 0.00 C ATOM 317 O CYS A 327 8.189 -0.035 -1.838 1.00 0.00 O ATOM 318 CB CYS A 327 5.716 -1.420 -2.339 1.00 0.00 C ATOM 319 SG CYS A 327 6.862 -2.644 -3.020 1.00 0.00 S ATOM 0 H CYS A 327 5.200 0.837 -1.234 1.00 0.00 H new ATOM 0 HA CYS A 327 5.981 -1.819 -0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 327 4.709 -1.833 -2.285 1.00 0.00 H new ATOM 0 HB3 CYS A 327 5.667 -0.545 -2.987 1.00 0.00 H new ATOM 0 HG CYS A 327 7.061 -2.397 -4.281 1.00 0.00 H new ATOM 324 N ASP A 328 8.448 -1.466 -0.175 1.00 0.00 N ATOM 325 CA ASP A 328 9.927 -1.321 -0.204 1.00 0.00 C ATOM 326 C ASP A 328 10.437 -1.877 -1.532 1.00 0.00 C ATOM 327 O ASP A 328 11.365 -1.360 -2.121 1.00 0.00 O ATOM 328 CB ASP A 328 10.549 -2.101 0.956 1.00 0.00 C ATOM 329 CG ASP A 328 12.049 -1.808 1.022 1.00 0.00 C ATOM 330 OD1 ASP A 328 12.500 -0.955 0.275 1.00 0.00 O ATOM 331 OD2 ASP A 328 12.722 -2.443 1.817 1.00 0.00 O ATOM 0 H ASP A 328 8.090 -2.109 0.531 1.00 0.00 H new ATOM 0 HA ASP A 328 10.202 -0.271 -0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 328 10.071 -1.820 1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 328 10.382 -3.170 0.821 1.00 0.00 H new ATOM 336 N GLY A 329 9.821 -2.926 -2.018 1.00 0.00 N ATOM 337 CA GLY A 329 10.260 -3.505 -3.317 1.00 0.00 C ATOM 338 C GLY A 329 10.271 -2.388 -4.358 1.00 0.00 C ATOM 339 O GLY A 329 11.088 -2.360 -5.256 1.00 0.00 O ATOM 0 H GLY A 329 9.037 -3.402 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 329 11.253 -3.945 -3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 329 9.586 -4.304 -3.624 1.00 0.00 H new ATOM 343 N CYS A 330 9.370 -1.456 -4.220 1.00 0.00 N ATOM 344 CA CYS A 330 9.311 -0.312 -5.168 1.00 0.00 C ATOM 345 C CYS A 330 9.315 0.982 -4.357 1.00 0.00 C ATOM 346 O CYS A 330 9.697 1.000 -3.205 1.00 0.00 O ATOM 347 CB CYS A 330 8.022 -0.385 -5.993 1.00 0.00 C ATOM 348 SG CYS A 330 7.759 -2.077 -6.576 1.00 0.00 S ATOM 0 H CYS A 330 8.665 -1.439 -3.483 1.00 0.00 H new ATOM 0 HA CYS A 330 10.166 -0.344 -5.843 1.00 0.00 H new ATOM 0 HB2 CYS A 330 7.174 -0.064 -5.388 1.00 0.00 H new ATOM 0 HB3 CYS A 330 8.084 0.296 -6.842 1.00 0.00 H new ATOM 0 HG CYS A 330 8.500 -2.296 -7.621 1.00 0.00 H new ATOM 353 N ASP A 331 8.886 2.061 -4.945 1.00 0.00 N ATOM 354 CA ASP A 331 8.848 3.353 -4.211 1.00 0.00 C ATOM 355 C ASP A 331 7.426 3.908 -4.271 1.00 0.00 C ATOM 356 O ASP A 331 7.204 5.088 -4.092 1.00 0.00 O ATOM 357 CB ASP A 331 9.814 4.345 -4.865 1.00 0.00 C ATOM 358 CG ASP A 331 11.251 3.852 -4.685 1.00 0.00 C ATOM 359 OD1 ASP A 331 11.453 2.953 -3.886 1.00 0.00 O ATOM 360 OD2 ASP A 331 12.125 4.382 -5.351 1.00 0.00 O ATOM 0 H ASP A 331 8.558 2.103 -5.910 1.00 0.00 H new ATOM 0 HA ASP A 331 9.145 3.200 -3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 331 9.584 4.448 -5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 331 9.698 5.332 -4.416 1.00 0.00 H new ATOM 365 N ASP A 332 6.464 3.067 -4.553 1.00 0.00 N ATOM 366 CA ASP A 332 5.055 3.555 -4.661 1.00 0.00 C ATOM 367 C ASP A 332 4.218 3.073 -3.474 1.00 0.00 C ATOM 368 O ASP A 332 4.463 2.027 -2.907 1.00 0.00 O ATOM 369 CB ASP A 332 4.438 3.028 -5.958 1.00 0.00 C ATOM 370 CG ASP A 332 5.159 3.649 -7.156 1.00 0.00 C ATOM 371 OD1 ASP A 332 5.888 4.605 -6.954 1.00 0.00 O ATOM 372 OD2 ASP A 332 4.970 3.156 -8.256 1.00 0.00 O ATOM 0 H ASP A 332 6.592 2.068 -4.713 1.00 0.00 H new ATOM 0 HA ASP A 332 5.064 4.645 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 332 4.517 1.942 -5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 332 3.376 3.271 -5.993 1.00 0.00 H new ATOM 377 N SER A 333 3.218 3.835 -3.108 1.00 0.00 N ATOM 378 CA SER A 333 2.341 3.439 -1.971 1.00 0.00 C ATOM 379 C SER A 333 0.899 3.283 -2.471 1.00 0.00 C ATOM 380 O SER A 333 0.436 4.040 -3.303 1.00 0.00 O ATOM 381 CB SER A 333 2.382 4.527 -0.901 1.00 0.00 C ATOM 382 OG SER A 333 3.731 4.781 -0.539 1.00 0.00 O ATOM 0 H SER A 333 2.972 4.719 -3.553 1.00 0.00 H new ATOM 0 HA SER A 333 2.690 2.495 -1.553 1.00 0.00 H new ATOM 0 HB2 SER A 333 1.916 5.439 -1.276 1.00 0.00 H new ATOM 0 HB3 SER A 333 1.812 4.214 -0.026 1.00 0.00 H new ATOM 0 HG SER A 333 3.760 5.481 0.147 1.00 0.00 H new ATOM 388 N TYR A 334 0.188 2.314 -1.961 1.00 0.00 N ATOM 389 CA TYR A 334 -1.227 2.107 -2.394 1.00 0.00 C ATOM 390 C TYR A 334 -2.039 1.536 -1.230 1.00 0.00 C ATOM 391 O TYR A 334 -1.496 0.967 -0.304 1.00 0.00 O ATOM 392 CB TYR A 334 -1.264 1.143 -3.577 1.00 0.00 C ATOM 393 CG TYR A 334 -0.451 -0.082 -3.254 1.00 0.00 C ATOM 394 CD1 TYR A 334 0.930 -0.067 -3.463 1.00 0.00 C ATOM 395 CD2 TYR A 334 -1.075 -1.231 -2.757 1.00 0.00 C ATOM 396 CE1 TYR A 334 1.694 -1.204 -3.177 1.00 0.00 C ATOM 397 CE2 TYR A 334 -0.311 -2.370 -2.468 1.00 0.00 C ATOM 398 CZ TYR A 334 1.074 -2.356 -2.680 1.00 0.00 C ATOM 399 OH TYR A 334 1.828 -3.478 -2.401 1.00 0.00 O ATOM 0 H TYR A 334 0.526 1.654 -1.261 1.00 0.00 H new ATOM 0 HA TYR A 334 -1.659 3.061 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.294 0.861 -3.798 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -0.869 1.630 -4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 334 1.408 0.823 -3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 334 -2.143 -1.240 -2.596 1.00 0.00 H new ATOM 0 HE1 TYR A 334 2.762 -1.192 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 334 -0.790 -3.258 -2.082 1.00 0.00 H new ATOM 0 HH TYR A 334 1.293 -4.110 -1.877 1.00 0.00 H new ATOM 409 N HIS A 335 -3.338 1.692 -1.254 1.00 0.00 N ATOM 410 CA HIS A 335 -4.158 1.166 -0.126 1.00 0.00 C ATOM 411 C HIS A 335 -4.393 -0.337 -0.283 1.00 0.00 C ATOM 412 O HIS A 335 -4.338 -0.887 -1.364 1.00 0.00 O ATOM 413 CB HIS A 335 -5.521 1.866 -0.070 1.00 0.00 C ATOM 414 CG HIS A 335 -5.338 3.355 -0.033 1.00 0.00 C ATOM 415 ND1 HIS A 335 -5.880 4.188 -1.001 1.00 0.00 N ATOM 416 CD2 HIS A 335 -4.697 4.179 0.859 1.00 0.00 C ATOM 417 CE1 HIS A 335 -5.562 5.450 -0.669 1.00 0.00 C ATOM 418 NE2 HIS A 335 -4.842 5.498 0.453 1.00 0.00 N ATOM 0 H HIS A 335 -3.860 2.156 -1.998 1.00 0.00 H new ATOM 0 HA HIS A 335 -3.607 1.360 0.794 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.117 1.587 -0.939 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.071 1.538 0.812 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -4.163 3.852 1.739 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -5.853 6.319 -1.240 1.00 0.00 H new ATOM 0 HE2 HIS A 335 -4.475 6.330 0.915 1.00 0.00 H new ATOM 426 N THR A 336 -4.673 -0.992 0.808 1.00 0.00 N ATOM 427 CA THR A 336 -4.942 -2.456 0.787 1.00 0.00 C ATOM 428 C THR A 336 -6.104 -2.739 -0.169 1.00 0.00 C ATOM 429 O THR A 336 -6.292 -3.851 -0.622 1.00 0.00 O ATOM 430 CB THR A 336 -5.307 -2.902 2.209 1.00 0.00 C ATOM 431 OG1 THR A 336 -4.311 -2.444 3.111 1.00 0.00 O ATOM 432 CG2 THR A 336 -5.390 -4.426 2.281 1.00 0.00 C ATOM 0 H THR A 336 -4.728 -0.565 1.733 1.00 0.00 H new ATOM 0 HA THR A 336 -4.063 -3.003 0.446 1.00 0.00 H new ATOM 0 HB THR A 336 -6.276 -2.481 2.477 1.00 0.00 H new ATOM 0 HG1 THR A 336 -4.626 -1.633 3.562 1.00 0.00 H new ATOM 0 HG21 THR A 336 -5.650 -4.729 3.295 1.00 0.00 H new ATOM 0 HG22 THR A 336 -6.154 -4.782 1.589 1.00 0.00 H new ATOM 0 HG23 THR A 336 -4.426 -4.856 2.010 1.00 0.00 H new ATOM 440 N PHE A 337 -6.887 -1.738 -0.472 1.00 0.00 N ATOM 441 CA PHE A 337 -8.043 -1.936 -1.391 1.00 0.00 C ATOM 442 C PHE A 337 -7.768 -1.253 -2.731 1.00 0.00 C ATOM 443 O PHE A 337 -8.520 -1.396 -3.675 1.00 0.00 O ATOM 444 CB PHE A 337 -9.296 -1.332 -0.763 1.00 0.00 C ATOM 445 CG PHE A 337 -9.172 0.173 -0.727 1.00 0.00 C ATOM 446 CD1 PHE A 337 -8.577 0.796 0.375 1.00 0.00 C ATOM 447 CD2 PHE A 337 -9.657 0.943 -1.790 1.00 0.00 C ATOM 448 CE1 PHE A 337 -8.465 2.190 0.416 1.00 0.00 C ATOM 449 CE2 PHE A 337 -9.544 2.338 -1.751 1.00 0.00 C ATOM 450 CZ PHE A 337 -8.949 2.962 -0.648 1.00 0.00 C ATOM 0 H PHE A 337 -6.774 -0.787 -0.120 1.00 0.00 H new ATOM 0 HA PHE A 337 -8.190 -3.003 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -10.177 -1.620 -1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -9.432 -1.720 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -8.204 0.200 1.195 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -10.118 0.462 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -8.006 2.670 1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -9.916 2.933 -2.572 1.00 0.00 H new ATOM 0 HZ PHE A 337 -8.863 4.038 -0.617 1.00 0.00 H new ATOM 460 N CYS A 338 -6.705 -0.507 -2.823 1.00 0.00 N ATOM 461 CA CYS A 338 -6.398 0.185 -4.105 1.00 0.00 C ATOM 462 C CYS A 338 -5.893 -0.823 -5.138 1.00 0.00 C ATOM 463 O CYS A 338 -6.470 -0.991 -6.195 1.00 0.00 O ATOM 464 CB CYS A 338 -5.314 1.242 -3.871 1.00 0.00 C ATOM 465 SG CYS A 338 -5.951 2.877 -4.324 1.00 0.00 S ATOM 0 H CYS A 338 -6.037 -0.346 -2.069 1.00 0.00 H new ATOM 0 HA CYS A 338 -7.307 0.659 -4.475 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -5.007 1.237 -2.825 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -4.430 1.008 -4.464 1.00 0.00 H new ATOM 0 HG CYS A 338 -6.044 3.617 -3.259 1.00 0.00 H new ATOM 470 N LEU A 339 -4.805 -1.474 -4.848 1.00 0.00 N ATOM 471 CA LEU A 339 -4.231 -2.453 -5.816 1.00 0.00 C ATOM 472 C LEU A 339 -4.841 -3.847 -5.645 1.00 0.00 C ATOM 473 O LEU A 339 -5.066 -4.548 -6.610 1.00 0.00 O ATOM 474 CB LEU A 339 -2.717 -2.538 -5.604 1.00 0.00 C ATOM 475 CG LEU A 339 -2.031 -1.286 -6.164 1.00 0.00 C ATOM 476 CD1 LEU A 339 -0.525 -1.379 -5.921 1.00 0.00 C ATOM 477 CD2 LEU A 339 -2.281 -1.187 -7.672 1.00 0.00 C ATOM 0 H LEU A 339 -4.283 -1.372 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 339 -4.461 -2.106 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -2.497 -2.637 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -2.323 -3.428 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 339 -2.437 -0.406 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -0.037 -0.489 -6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -0.333 -1.450 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -0.130 -2.264 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -1.791 -0.296 -8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -1.877 -2.070 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -3.353 -1.124 -7.860 1.00 0.00 H new ATOM 489 N ILE A 340 -5.074 -4.266 -4.433 1.00 0.00 N ATOM 490 CA ILE A 340 -5.629 -5.638 -4.212 1.00 0.00 C ATOM 491 C ILE A 340 -7.012 -5.538 -3.551 1.00 0.00 C ATOM 492 O ILE A 340 -7.251 -4.654 -2.757 1.00 0.00 O ATOM 493 CB ILE A 340 -4.667 -6.417 -3.280 1.00 0.00 C ATOM 494 CG1 ILE A 340 -3.329 -5.674 -3.169 1.00 0.00 C ATOM 495 CG2 ILE A 340 -4.393 -7.842 -3.797 1.00 0.00 C ATOM 496 CD1 ILE A 340 -3.460 -4.521 -2.170 1.00 0.00 C ATOM 0 H ILE A 340 -4.906 -3.723 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 340 -5.728 -6.155 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 340 -5.150 -6.487 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -2.547 -6.361 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -3.033 -5.290 -4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -3.714 -8.353 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -5.331 -8.394 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -3.940 -7.789 -4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -2.508 -3.996 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -4.230 -3.829 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -3.736 -4.916 -1.192 1.00 0.00 H new ATOM 508 N PRO A 341 -7.917 -6.450 -3.855 1.00 0.00 N ATOM 509 CA PRO A 341 -9.276 -6.451 -3.251 1.00 0.00 C ATOM 510 C PRO A 341 -9.240 -6.205 -1.734 1.00 0.00 C ATOM 511 O PRO A 341 -9.951 -5.355 -1.239 1.00 0.00 O ATOM 512 CB PRO A 341 -9.855 -7.837 -3.564 1.00 0.00 C ATOM 513 CG PRO A 341 -8.844 -8.560 -4.404 1.00 0.00 C ATOM 514 CD PRO A 341 -7.751 -7.565 -4.797 1.00 0.00 C ATOM 0 HA PRO A 341 -9.884 -5.644 -3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -10.055 -8.387 -2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -10.803 -7.747 -4.095 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -8.416 -9.395 -3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -9.317 -8.977 -5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -6.760 -8.011 -4.715 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -7.867 -7.234 -5.829 1.00 0.00 H new ATOM 522 N PRO A 342 -8.413 -6.926 -0.997 1.00 0.00 N ATOM 523 CA PRO A 342 -8.275 -6.754 0.474 1.00 0.00 C ATOM 524 C PRO A 342 -8.586 -5.331 0.963 1.00 0.00 C ATOM 525 O PRO A 342 -8.562 -4.379 0.212 1.00 0.00 O ATOM 526 CB PRO A 342 -6.806 -7.093 0.679 1.00 0.00 C ATOM 527 CG PRO A 342 -6.546 -8.207 -0.281 1.00 0.00 C ATOM 528 CD PRO A 342 -7.517 -8.013 -1.456 1.00 0.00 C ATOM 0 HA PRO A 342 -8.977 -7.370 1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -6.167 -6.234 0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -6.608 -7.399 1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -5.512 -8.187 -0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -6.704 -9.174 0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -6.990 -7.738 -2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -8.073 -8.926 -1.671 1.00 0.00 H new ATOM 536 N LEU A 343 -8.883 -5.190 2.228 1.00 0.00 N ATOM 537 CA LEU A 343 -9.217 -3.847 2.784 1.00 0.00 C ATOM 538 C LEU A 343 -9.411 -3.943 4.299 1.00 0.00 C ATOM 539 O LEU A 343 -9.060 -3.047 5.040 1.00 0.00 O ATOM 540 CB LEU A 343 -10.529 -3.360 2.158 1.00 0.00 C ATOM 541 CG LEU A 343 -10.761 -1.880 2.510 1.00 0.00 C ATOM 542 CD1 LEU A 343 -11.773 -1.269 1.537 1.00 0.00 C ATOM 543 CD2 LEU A 343 -11.301 -1.742 3.943 1.00 0.00 C ATOM 0 H LEU A 343 -8.908 -5.953 2.904 1.00 0.00 H new ATOM 0 HA LEU A 343 -8.405 -3.156 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -10.493 -3.484 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -11.361 -3.964 2.521 1.00 0.00 H new ATOM 0 HG LEU A 343 -9.808 -1.357 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -11.934 -0.221 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -11.389 -1.342 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -12.717 -1.809 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -11.458 -0.688 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -12.247 -2.277 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -10.581 -2.163 4.645 1.00 0.00 H new ATOM 555 N HIS A 344 -9.999 -5.013 4.759 1.00 0.00 N ATOM 556 CA HIS A 344 -10.257 -5.158 6.220 1.00 0.00 C ATOM 557 C HIS A 344 -8.973 -4.938 7.023 1.00 0.00 C ATOM 558 O HIS A 344 -8.963 -4.210 7.995 1.00 0.00 O ATOM 559 CB HIS A 344 -10.797 -6.560 6.497 1.00 0.00 C ATOM 560 CG HIS A 344 -12.063 -6.769 5.711 1.00 0.00 C ATOM 561 ND1 HIS A 344 -12.839 -7.911 5.845 1.00 0.00 N ATOM 562 CD2 HIS A 344 -12.697 -5.992 4.770 1.00 0.00 C ATOM 563 CE1 HIS A 344 -13.886 -7.792 5.008 1.00 0.00 C ATOM 564 NE2 HIS A 344 -13.845 -6.642 4.333 1.00 0.00 N ATOM 0 H HIS A 344 -10.313 -5.795 4.185 1.00 0.00 H new ATOM 0 HA HIS A 344 -10.987 -4.408 6.524 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -10.055 -7.309 6.220 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -10.992 -6.683 7.562 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -12.356 -5.027 4.425 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -14.662 -8.535 4.897 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -14.516 -6.309 3.641 1.00 0.00 H new ATOM 573 N ASP A 345 -7.895 -5.558 6.642 1.00 0.00 N ATOM 574 CA ASP A 345 -6.633 -5.367 7.411 1.00 0.00 C ATOM 575 C ASP A 345 -5.417 -5.585 6.507 1.00 0.00 C ATOM 576 O ASP A 345 -5.478 -6.295 5.524 1.00 0.00 O ATOM 577 CB ASP A 345 -6.590 -6.363 8.571 1.00 0.00 C ATOM 578 CG ASP A 345 -5.420 -6.021 9.495 1.00 0.00 C ATOM 579 OD1 ASP A 345 -4.771 -5.017 9.250 1.00 0.00 O ATOM 580 OD2 ASP A 345 -5.192 -6.768 10.432 1.00 0.00 O ATOM 0 H ASP A 345 -7.830 -6.184 5.839 1.00 0.00 H new ATOM 0 HA ASP A 345 -6.606 -4.348 7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -7.527 -6.331 9.127 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -6.481 -7.378 8.189 1.00 0.00 H new ATOM 585 N VAL A 346 -4.312 -4.979 6.844 1.00 0.00 N ATOM 586 CA VAL A 346 -3.084 -5.139 6.030 1.00 0.00 C ATOM 587 C VAL A 346 -2.103 -6.063 6.769 1.00 0.00 C ATOM 588 O VAL A 346 -2.034 -6.048 7.983 1.00 0.00 O ATOM 589 CB VAL A 346 -2.442 -3.771 5.828 1.00 0.00 C ATOM 590 CG1 VAL A 346 -3.534 -2.706 5.708 1.00 0.00 C ATOM 591 CG2 VAL A 346 -1.545 -3.446 7.025 1.00 0.00 C ATOM 0 H VAL A 346 -4.211 -4.374 7.659 1.00 0.00 H new ATOM 0 HA VAL A 346 -3.333 -5.575 5.062 1.00 0.00 H new ATOM 0 HB VAL A 346 -1.844 -3.783 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -3.074 -1.728 5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -4.174 -2.935 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -4.133 -2.695 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 346 -1.086 -2.468 6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -2.144 -3.435 7.936 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -0.766 -4.203 7.112 1.00 0.00 H new ATOM 601 N PRO A 347 -1.356 -6.870 6.054 1.00 0.00 N ATOM 602 CA PRO A 347 -0.377 -7.815 6.674 1.00 0.00 C ATOM 603 C PRO A 347 0.711 -7.085 7.471 1.00 0.00 C ATOM 604 O PRO A 347 1.179 -6.033 7.084 1.00 0.00 O ATOM 605 CB PRO A 347 0.240 -8.559 5.484 1.00 0.00 C ATOM 606 CG PRO A 347 -0.059 -7.724 4.283 1.00 0.00 C ATOM 607 CD PRO A 347 -1.349 -6.968 4.587 1.00 0.00 C ATOM 0 HA PRO A 347 -0.864 -8.478 7.389 1.00 0.00 H new ATOM 0 HB2 PRO A 347 1.315 -8.684 5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -0.187 -9.557 5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 347 0.757 -7.031 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -0.175 -8.348 3.397 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -1.356 -5.983 4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -2.224 -7.503 4.217 1.00 0.00 H new ATOM 615 N LYS A 348 1.115 -7.639 8.584 1.00 0.00 N ATOM 616 CA LYS A 348 2.171 -6.982 9.408 1.00 0.00 C ATOM 617 C LYS A 348 3.456 -6.840 8.594 1.00 0.00 C ATOM 618 O LYS A 348 4.104 -5.813 8.610 1.00 0.00 O ATOM 619 CB LYS A 348 2.462 -7.844 10.634 1.00 0.00 C ATOM 620 CG LYS A 348 3.460 -7.121 11.537 1.00 0.00 C ATOM 621 CD LYS A 348 3.796 -8.006 12.739 1.00 0.00 C ATOM 622 CE LYS A 348 4.665 -7.222 13.723 1.00 0.00 C ATOM 623 NZ LYS A 348 3.899 -6.978 14.977 1.00 0.00 N ATOM 0 H LYS A 348 0.759 -8.519 8.958 1.00 0.00 H new ATOM 0 HA LYS A 348 1.821 -5.996 9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 348 1.540 -8.043 11.179 1.00 0.00 H new ATOM 0 HB3 LYS A 348 2.865 -8.809 10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 348 4.367 -6.887 10.980 1.00 0.00 H new ATOM 0 HG3 LYS A 348 3.040 -6.174 11.876 1.00 0.00 H new ATOM 0 HD2 LYS A 348 2.880 -8.335 13.229 1.00 0.00 H new ATOM 0 HD3 LYS A 348 4.321 -8.903 12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 348 5.576 -7.778 13.943 1.00 0.00 H new ATOM 0 HE3 LYS A 348 4.970 -6.274 13.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 4.490 -6.445 15.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 3.042 -6.430 14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 3.630 -7.888 15.402 1.00 0.00 H new ATOM 637 N GLY A 349 3.829 -7.869 7.892 1.00 0.00 N ATOM 638 CA GLY A 349 5.076 -7.807 7.083 1.00 0.00 C ATOM 639 C GLY A 349 4.976 -6.665 6.077 1.00 0.00 C ATOM 640 O GLY A 349 3.905 -6.171 5.785 1.00 0.00 O ATOM 0 H GLY A 349 3.323 -8.754 7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 349 5.937 -7.657 7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 349 5.231 -8.752 6.562 1.00 0.00 H new ATOM 644 N ASP A 350 6.084 -6.247 5.540 1.00 0.00 N ATOM 645 CA ASP A 350 6.053 -5.141 4.545 1.00 0.00 C ATOM 646 C ASP A 350 5.246 -5.603 3.334 1.00 0.00 C ATOM 647 O ASP A 350 5.434 -6.694 2.834 1.00 0.00 O ATOM 648 CB ASP A 350 7.480 -4.799 4.111 1.00 0.00 C ATOM 649 CG ASP A 350 7.454 -3.570 3.201 1.00 0.00 C ATOM 650 OD1 ASP A 350 6.404 -2.957 3.095 1.00 0.00 O ATOM 651 OD2 ASP A 350 8.485 -3.261 2.628 1.00 0.00 O ATOM 0 H ASP A 350 7.010 -6.622 5.746 1.00 0.00 H new ATOM 0 HA ASP A 350 5.595 -4.255 4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 350 8.101 -4.604 4.985 1.00 0.00 H new ATOM 0 HB3 ASP A 350 7.925 -5.644 3.586 1.00 0.00 H new ATOM 656 N TRP A 351 4.334 -4.797 2.868 1.00 0.00 N ATOM 657 CA TRP A 351 3.511 -5.219 1.706 1.00 0.00 C ATOM 658 C TRP A 351 4.176 -4.784 0.400 1.00 0.00 C ATOM 659 O TRP A 351 4.531 -3.638 0.211 1.00 0.00 O ATOM 660 CB TRP A 351 2.118 -4.595 1.812 1.00 0.00 C ATOM 661 CG TRP A 351 1.226 -5.185 0.767 1.00 0.00 C ATOM 662 CD1 TRP A 351 0.639 -4.488 -0.231 1.00 0.00 C ATOM 663 CD2 TRP A 351 0.813 -6.574 0.597 1.00 0.00 C ATOM 664 NE1 TRP A 351 -0.109 -5.358 -1.005 1.00 0.00 N ATOM 665 CE2 TRP A 351 -0.033 -6.655 -0.535 1.00 0.00 C ATOM 666 CE3 TRP A 351 1.086 -7.759 1.305 1.00 0.00 C ATOM 667 CZ2 TRP A 351 -0.587 -7.867 -0.949 1.00 0.00 C ATOM 668 CZ3 TRP A 351 0.530 -8.980 0.891 1.00 0.00 C ATOM 669 CH2 TRP A 351 -0.304 -9.034 -0.234 1.00 0.00 C ATOM 0 H TRP A 351 4.125 -3.870 3.240 1.00 0.00 H new ATOM 0 HA TRP A 351 3.423 -6.305 1.709 1.00 0.00 H new ATOM 0 HB2 TRP A 351 1.702 -4.774 2.804 1.00 0.00 H new ATOM 0 HB3 TRP A 351 2.181 -3.514 1.683 1.00 0.00 H new ATOM 0 HD1 TRP A 351 0.738 -3.425 -0.397 1.00 0.00 H new ATOM 0 HE1 TRP A 351 -0.650 -5.076 -1.822 1.00 0.00 H new ATOM 0 HE3 TRP A 351 1.728 -7.729 2.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 -1.230 -7.903 -1.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 0.746 -9.883 1.443 1.00 0.00 H new ATOM 0 HH2 TRP A 351 -0.728 -9.977 -0.548 1.00 0.00 H new ATOM 680 N ARG A 352 4.342 -5.712 -0.499 1.00 0.00 N ATOM 681 CA ARG A 352 4.978 -5.413 -1.808 1.00 0.00 C ATOM 682 C ARG A 352 3.960 -5.668 -2.919 1.00 0.00 C ATOM 683 O ARG A 352 3.246 -6.651 -2.900 1.00 0.00 O ATOM 684 CB ARG A 352 6.176 -6.343 -1.991 1.00 0.00 C ATOM 685 CG ARG A 352 7.242 -6.017 -0.946 1.00 0.00 C ATOM 686 CD ARG A 352 8.411 -6.988 -1.103 1.00 0.00 C ATOM 687 NE ARG A 352 9.470 -6.660 -0.108 1.00 0.00 N ATOM 688 CZ ARG A 352 10.437 -7.505 0.118 1.00 0.00 C ATOM 689 NH1 ARG A 352 10.476 -8.640 -0.525 1.00 0.00 N ATOM 690 NH2 ARG A 352 11.366 -7.217 0.989 1.00 0.00 N ATOM 0 H ARG A 352 4.057 -6.684 -0.378 1.00 0.00 H new ATOM 0 HA ARG A 352 5.307 -4.375 -1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 352 5.861 -7.382 -1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 352 6.588 -6.229 -2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 352 7.587 -4.990 -1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 352 6.821 -6.094 0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 352 8.068 -8.013 -0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 352 8.815 -6.926 -2.113 1.00 0.00 H new ATOM 0 HE ARG A 352 9.439 -5.774 0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 352 9.750 -8.866 -1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 352 11.233 -9.301 -0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 352 11.335 -6.331 1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 352 12.122 -7.878 1.166 1.00 0.00 H new ATOM 704 N CYS A 353 3.882 -4.799 -3.885 1.00 0.00 N ATOM 705 CA CYS A 353 2.901 -5.015 -4.982 1.00 0.00 C ATOM 706 C CYS A 353 3.258 -6.323 -5.702 1.00 0.00 C ATOM 707 O CYS A 353 4.383 -6.764 -5.677 1.00 0.00 O ATOM 708 CB CYS A 353 2.935 -3.841 -5.970 1.00 0.00 C ATOM 709 SG CYS A 353 4.084 -2.560 -5.397 1.00 0.00 S ATOM 0 H CYS A 353 4.450 -3.955 -3.963 1.00 0.00 H new ATOM 0 HA CYS A 353 1.894 -5.079 -4.569 1.00 0.00 H new ATOM 0 HB2 CYS A 353 3.239 -4.196 -6.955 1.00 0.00 H new ATOM 0 HB3 CYS A 353 1.936 -3.419 -6.077 1.00 0.00 H new ATOM 0 HG CYS A 353 5.263 -3.080 -5.224 1.00 0.00 H new ATOM 714 N PRO A 354 2.301 -6.967 -6.298 1.00 0.00 N ATOM 715 CA PRO A 354 2.526 -8.269 -6.991 1.00 0.00 C ATOM 716 C PRO A 354 3.718 -8.255 -7.965 1.00 0.00 C ATOM 717 O PRO A 354 4.428 -9.232 -8.091 1.00 0.00 O ATOM 718 CB PRO A 354 1.217 -8.524 -7.758 1.00 0.00 C ATOM 719 CG PRO A 354 0.391 -7.281 -7.619 1.00 0.00 C ATOM 720 CD PRO A 354 0.907 -6.536 -6.390 1.00 0.00 C ATOM 0 HA PRO A 354 2.773 -9.046 -6.267 1.00 0.00 H new ATOM 0 HB2 PRO A 354 1.418 -8.740 -8.807 1.00 0.00 H new ATOM 0 HB3 PRO A 354 0.691 -9.387 -7.350 1.00 0.00 H new ATOM 0 HG2 PRO A 354 0.477 -6.660 -8.510 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.664 -7.530 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 354 0.827 -5.456 -6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 354 0.344 -6.799 -5.494 1.00 0.00 H new ATOM 728 N LYS A 355 3.944 -7.171 -8.660 1.00 0.00 N ATOM 729 CA LYS A 355 5.084 -7.140 -9.632 1.00 0.00 C ATOM 730 C LYS A 355 6.413 -7.431 -8.932 1.00 0.00 C ATOM 731 O LYS A 355 7.212 -8.213 -9.407 1.00 0.00 O ATOM 732 CB LYS A 355 5.147 -5.768 -10.309 1.00 0.00 C ATOM 733 CG LYS A 355 5.430 -4.692 -9.263 1.00 0.00 C ATOM 734 CD LYS A 355 5.277 -3.309 -9.902 1.00 0.00 C ATOM 735 CE LYS A 355 5.814 -2.243 -8.948 1.00 0.00 C ATOM 736 NZ LYS A 355 5.208 -0.923 -9.287 1.00 0.00 N ATOM 0 H LYS A 355 3.396 -6.312 -8.600 1.00 0.00 H new ATOM 0 HA LYS A 355 4.916 -7.913 -10.382 1.00 0.00 H new ATOM 0 HB2 LYS A 355 5.927 -5.763 -11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 355 4.205 -5.558 -10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 355 4.742 -4.795 -8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.438 -4.812 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 355 5.818 -3.272 -10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 355 4.228 -3.115 -10.127 1.00 0.00 H new ATOM 0 HE2 LYS A 355 5.578 -2.510 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 355 6.900 -2.187 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 5.573 -0.197 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 5.454 -0.669 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 4.174 -0.982 -9.194 1.00 0.00 H new ATOM 750 N CYS A 356 6.662 -6.815 -7.815 1.00 0.00 N ATOM 751 CA CYS A 356 7.945 -7.067 -7.103 1.00 0.00 C ATOM 752 C CYS A 356 7.909 -8.463 -6.478 1.00 0.00 C ATOM 753 O CYS A 356 8.907 -9.149 -6.406 1.00 0.00 O ATOM 754 CB CYS A 356 8.146 -6.013 -6.012 1.00 0.00 C ATOM 755 SG CYS A 356 6.532 -5.430 -5.448 1.00 0.00 S ATOM 0 H CYS A 356 6.036 -6.149 -7.363 1.00 0.00 H new ATOM 0 HA CYS A 356 8.773 -7.007 -7.809 1.00 0.00 H new ATOM 0 HB2 CYS A 356 8.705 -6.437 -5.178 1.00 0.00 H new ATOM 0 HB3 CYS A 356 8.733 -5.180 -6.398 1.00 0.00 H new ATOM 0 HG CYS A 356 5.673 -6.404 -5.508 1.00 0.00 H new ATOM 760 N LEU A 357 6.761 -8.884 -6.022 1.00 0.00 N ATOM 761 CA LEU A 357 6.655 -10.233 -5.397 1.00 0.00 C ATOM 762 C LEU A 357 7.041 -11.303 -6.418 1.00 0.00 C ATOM 763 O LEU A 357 7.629 -12.312 -6.083 1.00 0.00 O ATOM 764 CB LEU A 357 5.218 -10.462 -4.924 1.00 0.00 C ATOM 765 CG LEU A 357 5.128 -11.798 -4.181 1.00 0.00 C ATOM 766 CD1 LEU A 357 5.899 -11.712 -2.859 1.00 0.00 C ATOM 767 CD2 LEU A 357 3.661 -12.120 -3.891 1.00 0.00 C ATOM 0 H LEU A 357 5.891 -8.352 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 357 7.330 -10.294 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 357 4.906 -9.648 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 357 4.539 -10.462 -5.777 1.00 0.00 H new ATOM 0 HG LEU A 357 5.562 -12.583 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 357 5.831 -12.666 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 357 6.945 -11.483 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 357 5.470 -10.926 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 357 3.595 -13.071 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 357 3.230 -11.331 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 357 3.111 -12.188 -4.830 1.00 0.00 H new ATOM 779 N ALA A 358 6.713 -11.094 -7.663 1.00 0.00 N ATOM 780 CA ALA A 358 7.059 -12.102 -8.704 1.00 0.00 C ATOM 781 C ALA A 358 8.576 -12.302 -8.733 1.00 0.00 C ATOM 782 O ALA A 358 9.064 -13.382 -8.997 1.00 0.00 O ATOM 783 CB ALA A 358 6.584 -11.607 -10.071 1.00 0.00 C ATOM 0 H ALA A 358 6.220 -10.269 -8.004 1.00 0.00 H new ATOM 0 HA ALA A 358 6.571 -13.048 -8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 358 6.837 -12.344 -10.833 1.00 0.00 H new ATOM 0 HB2 ALA A 358 5.504 -11.462 -10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 358 7.072 -10.661 -10.305 1.00 0.00 H new ATOM 789 N GLN A 359 9.325 -11.270 -8.459 1.00 0.00 N ATOM 790 CA GLN A 359 10.809 -11.404 -8.468 1.00 0.00 C ATOM 791 C GLN A 359 11.230 -12.461 -7.446 1.00 0.00 C ATOM 792 O GLN A 359 12.182 -13.188 -7.646 1.00 0.00 O ATOM 793 CB GLN A 359 11.446 -10.061 -8.105 1.00 0.00 C ATOM 794 CG GLN A 359 11.124 -9.031 -9.190 1.00 0.00 C ATOM 795 CD GLN A 359 11.721 -7.677 -8.802 1.00 0.00 C ATOM 796 OE1 GLN A 359 12.065 -7.458 -7.658 1.00 0.00 O ATOM 797 NE2 GLN A 359 11.858 -6.754 -9.713 1.00 0.00 N ATOM 0 H GLN A 359 8.974 -10.340 -8.229 1.00 0.00 H new ATOM 0 HA GLN A 359 11.141 -11.705 -9.462 1.00 0.00 H new ATOM 0 HB2 GLN A 359 11.071 -9.718 -7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 359 12.526 -10.174 -8.005 1.00 0.00 H new ATOM 0 HG2 GLN A 359 11.529 -9.358 -10.148 1.00 0.00 H new ATOM 0 HG3 GLN A 359 10.045 -8.942 -9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 359 11.569 -6.939 -10.674 1.00 0.00 H new ATOM 0 HE22 GLN A 359 12.254 -5.847 -9.465 1.00 0.00 H new ATOM 806 N GLU A 360 10.527 -12.550 -6.351 1.00 0.00 N ATOM 807 CA GLU A 360 10.884 -13.558 -5.314 1.00 0.00 C ATOM 808 C GLU A 360 11.185 -14.899 -5.988 1.00 0.00 C ATOM 809 O GLU A 360 12.065 -15.595 -5.509 1.00 0.00 O ATOM 810 CB GLU A 360 9.714 -13.727 -4.343 1.00 0.00 C ATOM 811 CG GLU A 360 10.132 -14.647 -3.194 1.00 0.00 C ATOM 812 CD GLU A 360 8.931 -14.897 -2.278 1.00 0.00 C ATOM 813 OE1 GLU A 360 7.865 -14.388 -2.579 1.00 0.00 O ATOM 814 OE2 GLU A 360 9.100 -15.593 -1.290 1.00 0.00 O ATOM 815 OXT GLU A 360 10.530 -15.206 -6.969 1.00 0.00 O ATOM 0 H GLU A 360 9.720 -11.967 -6.129 1.00 0.00 H new ATOM 0 HA GLU A 360 11.764 -13.220 -4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 360 9.409 -12.756 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 360 8.853 -14.146 -4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 360 10.505 -15.592 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 360 10.946 -14.194 -2.629 1.00 0.00 H new