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 160:sc= 0.344 USER MOD Set 1.2: A 330 CYS SG : rot -50:sc= -0.217 USER MOD Set 1.3: A 353 CYS SG : rot 138:sc= 0.354 USER MOD Set 1.4: A 356 CYS SG : rot 125:sc= 0.165 USER MOD Set 2.1: A 312 CYS SG : rot -137:sc= -1.4 USER MOD Set 2.2: A 315 CYS SG : rot 130:sc= 0.448 USER MOD Set 2.3: A 335 HIS : no HD1:sc= -6.42! C(o=-7.1!,f=-11!) USER MOD Set 2.4: A 338 CYS SG : rot 124:sc= 0.223 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= -0.454 K(o=-0.45,f=-1.6) USER MOD Single : A 333 SER OG : rot 120:sc= -0.0825 USER MOD Single : A 334 TYR OH : rot 180:sc= 0 USER MOD Single : A 336 THR OG1 : rot -36:sc= -0.99 USER MOD Single : A 344 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.52) USER MOD Single : A 348 LYS NZ :NH3+ 154:sc= -0.101 (180deg=-0.789) 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 3.914 12.668 3.377 1.00 0.00 N ATOM 42 CA LEU A 309 5.122 12.201 2.640 1.00 0.00 C ATOM 43 C LEU A 309 4.733 11.056 1.701 1.00 0.00 C ATOM 44 O LEU A 309 5.209 10.968 0.587 1.00 0.00 O ATOM 45 CB LEU A 309 6.171 11.706 3.640 1.00 0.00 C ATOM 46 CG LEU A 309 7.456 11.332 2.896 1.00 0.00 C ATOM 47 CD1 LEU A 309 8.123 12.594 2.342 1.00 0.00 C ATOM 48 CD2 LEU A 309 8.415 10.634 3.862 1.00 0.00 C ATOM 0 HA LEU A 309 5.535 13.025 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 309 6.379 12.481 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 309 5.790 10.842 4.184 1.00 0.00 H new ATOM 0 HG LEU A 309 7.212 10.663 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 309 9.037 12.321 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 309 7.441 13.093 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 309 8.367 13.267 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 309 9.331 10.366 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 309 8.654 11.306 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 309 7.945 9.732 4.253 1.00 0.00 H new ATOM 60 N TYR A 310 3.864 10.184 2.144 1.00 0.00 N ATOM 61 CA TYR A 310 3.434 9.047 1.282 1.00 0.00 C ATOM 62 C TYR A 310 1.929 9.136 1.021 1.00 0.00 C ATOM 63 O TYR A 310 1.136 9.254 1.933 1.00 0.00 O ATOM 64 CB TYR A 310 3.745 7.725 1.986 1.00 0.00 C ATOM 65 CG TYR A 310 5.195 7.363 1.776 1.00 0.00 C ATOM 66 CD1 TYR A 310 6.173 7.830 2.661 1.00 0.00 C ATOM 67 CD2 TYR A 310 5.559 6.556 0.692 1.00 0.00 C ATOM 68 CE1 TYR A 310 7.516 7.488 2.461 1.00 0.00 C ATOM 69 CE2 TYR A 310 6.899 6.213 0.492 1.00 0.00 C ATOM 70 CZ TYR A 310 7.880 6.680 1.377 1.00 0.00 C ATOM 71 OH TYR A 310 9.203 6.342 1.181 1.00 0.00 O ATOM 0 H TYR A 310 3.434 10.212 3.068 1.00 0.00 H new ATOM 0 HA TYR A 310 3.971 9.094 0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 310 3.533 7.811 3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 310 3.103 6.935 1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 310 5.892 8.453 3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 310 4.803 6.198 0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 310 8.272 7.848 3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 310 7.178 5.589 -0.344 1.00 0.00 H new ATOM 0 HH TYR A 310 9.282 5.776 0.385 1.00 0.00 H new ATOM 81 N VAL A 311 1.533 9.071 -0.222 1.00 0.00 N ATOM 82 CA VAL A 311 0.082 9.141 -0.551 1.00 0.00 C ATOM 83 C VAL A 311 -0.259 8.027 -1.543 1.00 0.00 C ATOM 84 O VAL A 311 0.606 7.496 -2.211 1.00 0.00 O ATOM 85 CB VAL A 311 -0.242 10.501 -1.172 1.00 0.00 C ATOM 86 CG1 VAL A 311 0.245 11.615 -0.246 1.00 0.00 C ATOM 87 CG2 VAL A 311 0.457 10.623 -2.528 1.00 0.00 C ATOM 0 H VAL A 311 2.154 8.972 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 311 -0.506 9.017 0.358 1.00 0.00 H new ATOM 0 HB VAL A 311 -1.320 10.589 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 311 0.014 12.584 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -0.253 11.529 0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 311 1.323 11.528 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 311 0.226 11.592 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 311 1.535 10.534 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 311 0.109 9.830 -3.190 1.00 0.00 H new ATOM 97 N CYS A 312 -1.507 7.670 -1.650 1.00 0.00 N ATOM 98 CA CYS A 312 -1.894 6.592 -2.603 1.00 0.00 C ATOM 99 C CYS A 312 -1.828 7.144 -4.025 1.00 0.00 C ATOM 100 O CYS A 312 -2.614 7.981 -4.412 1.00 0.00 O ATOM 101 CB CYS A 312 -3.323 6.136 -2.287 1.00 0.00 C ATOM 102 SG CYS A 312 -3.851 4.856 -3.456 1.00 0.00 S ATOM 0 H CYS A 312 -2.277 8.077 -1.119 1.00 0.00 H new ATOM 0 HA CYS A 312 -1.216 5.743 -2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -3.371 5.750 -1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -4.003 6.987 -2.338 1.00 0.00 H new ATOM 0 HG CYS A 312 -5.076 5.086 -3.827 1.00 0.00 H new ATOM 107 N LEU A 313 -0.891 6.689 -4.807 1.00 0.00 N ATOM 108 CA LEU A 313 -0.779 7.200 -6.198 1.00 0.00 C ATOM 109 C LEU A 313 -2.111 6.991 -6.915 1.00 0.00 C ATOM 110 O LEU A 313 -2.530 7.797 -7.722 1.00 0.00 O ATOM 111 CB LEU A 313 0.324 6.435 -6.928 1.00 0.00 C ATOM 112 CG LEU A 313 1.641 6.570 -6.159 1.00 0.00 C ATOM 113 CD1 LEU A 313 2.759 5.872 -6.934 1.00 0.00 C ATOM 114 CD2 LEU A 313 1.987 8.052 -5.995 1.00 0.00 C ATOM 0 H LEU A 313 -0.200 5.987 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 313 -0.535 8.262 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 313 0.051 5.384 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 313 0.441 6.823 -7.940 1.00 0.00 H new ATOM 0 HG LEU A 313 1.535 6.109 -5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 313 3.696 5.968 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 313 2.515 4.816 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 313 2.864 6.333 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 313 2.925 8.148 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 313 2.092 8.512 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 313 1.191 8.552 -5.443 1.00 0.00 H new ATOM 126 N LEU A 314 -2.778 5.910 -6.628 1.00 0.00 N ATOM 127 CA LEU A 314 -4.079 5.637 -7.288 1.00 0.00 C ATOM 128 C LEU A 314 -5.113 6.692 -6.868 1.00 0.00 C ATOM 129 O LEU A 314 -5.967 7.071 -7.647 1.00 0.00 O ATOM 130 CB LEU A 314 -4.553 4.233 -6.891 1.00 0.00 C ATOM 131 CG LEU A 314 -3.474 3.200 -7.261 1.00 0.00 C ATOM 132 CD1 LEU A 314 -4.015 1.786 -7.048 1.00 0.00 C ATOM 133 CD2 LEU A 314 -3.074 3.361 -8.731 1.00 0.00 C ATOM 0 H LEU A 314 -2.475 5.201 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 314 -3.962 5.686 -8.371 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -4.755 4.195 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -5.487 3.996 -7.400 1.00 0.00 H new ATOM 0 HG LEU A 314 -2.604 3.363 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -3.247 1.059 -7.312 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -4.293 1.657 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -4.891 1.633 -7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -2.310 2.625 -8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -3.948 3.208 -9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -2.679 4.364 -8.893 1.00 0.00 H new ATOM 145 N CYS A 315 -5.043 7.173 -5.653 1.00 0.00 N ATOM 146 CA CYS A 315 -6.025 8.209 -5.198 1.00 0.00 C ATOM 147 C CYS A 315 -5.304 9.532 -4.936 1.00 0.00 C ATOM 148 O CYS A 315 -5.631 10.555 -5.504 1.00 0.00 O ATOM 149 CB CYS A 315 -6.695 7.754 -3.903 1.00 0.00 C ATOM 150 SG CYS A 315 -7.353 6.083 -4.107 1.00 0.00 S ATOM 0 H CYS A 315 -4.351 6.896 -4.957 1.00 0.00 H new ATOM 0 HA CYS A 315 -6.775 8.344 -5.977 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -5.976 7.774 -3.084 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.499 8.441 -3.638 1.00 0.00 H new ATOM 0 HG CYS A 315 -6.953 5.336 -3.121 1.00 0.00 H new ATOM 155 N GLY A 316 -4.331 9.518 -4.069 1.00 0.00 N ATOM 156 CA GLY A 316 -3.589 10.769 -3.752 1.00 0.00 C ATOM 157 C GLY A 316 -4.160 11.391 -2.475 1.00 0.00 C ATOM 158 O GLY A 316 -4.214 12.596 -2.331 1.00 0.00 O ATOM 0 H GLY A 316 -4.016 8.690 -3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -2.529 10.552 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -3.671 11.473 -4.580 1.00 0.00 H new ATOM 162 N SER A 317 -4.591 10.574 -1.551 1.00 0.00 N ATOM 163 CA SER A 317 -5.165 11.101 -0.286 1.00 0.00 C ATOM 164 C SER A 317 -4.213 10.797 0.876 1.00 0.00 C ATOM 165 O SER A 317 -3.501 9.813 0.868 1.00 0.00 O ATOM 166 CB SER A 317 -6.508 10.423 -0.033 1.00 0.00 C ATOM 167 OG SER A 317 -7.404 10.747 -1.088 1.00 0.00 O ATOM 0 H SER A 317 -4.568 9.557 -1.622 1.00 0.00 H new ATOM 0 HA SER A 317 -5.302 12.179 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 317 -6.377 9.343 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 317 -6.919 10.750 0.922 1.00 0.00 H new ATOM 0 HG SER A 317 -8.267 10.311 -0.929 1.00 0.00 H new ATOM 173 N GLY A 318 -4.194 11.640 1.874 1.00 0.00 N ATOM 174 CA GLY A 318 -3.284 11.409 3.033 1.00 0.00 C ATOM 175 C GLY A 318 -4.051 10.746 4.184 1.00 0.00 C ATOM 176 O GLY A 318 -3.566 9.829 4.812 1.00 0.00 O ATOM 0 H GLY A 318 -4.770 12.479 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -2.450 10.776 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -2.860 12.356 3.367 1.00 0.00 H new ATOM 180 N ASN A 319 -5.240 11.200 4.472 1.00 0.00 N ATOM 181 CA ASN A 319 -6.015 10.584 5.589 1.00 0.00 C ATOM 182 C ASN A 319 -6.085 9.070 5.385 1.00 0.00 C ATOM 183 O ASN A 319 -6.121 8.304 6.327 1.00 0.00 O ATOM 184 CB ASN A 319 -7.434 11.156 5.605 1.00 0.00 C ATOM 185 CG ASN A 319 -8.258 10.493 4.500 1.00 0.00 C ATOM 186 OD1 ASN A 319 -7.950 10.626 3.333 1.00 0.00 O ATOM 187 ND2 ASN A 319 -9.295 9.769 4.823 1.00 0.00 N ATOM 0 H ASN A 319 -5.707 11.966 3.986 1.00 0.00 H new ATOM 0 HA ASN A 319 -5.522 10.805 6.536 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -7.898 10.981 6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -7.405 12.235 5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -9.847 9.315 4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -9.554 9.657 5.803 1.00 0.00 H new ATOM 194 N ASP A 320 -6.100 8.640 4.157 1.00 0.00 N ATOM 195 CA ASP A 320 -6.163 7.184 3.866 1.00 0.00 C ATOM 196 C ASP A 320 -4.850 6.524 4.298 1.00 0.00 C ATOM 197 O ASP A 320 -4.681 5.325 4.195 1.00 0.00 O ATOM 198 CB ASP A 320 -6.381 6.971 2.372 1.00 0.00 C ATOM 199 CG ASP A 320 -7.734 7.559 1.964 1.00 0.00 C ATOM 200 OD1 ASP A 320 -8.535 7.818 2.847 1.00 0.00 O ATOM 201 OD2 ASP A 320 -7.945 7.738 0.776 1.00 0.00 O ATOM 0 H ASP A 320 -6.071 9.242 3.334 1.00 0.00 H new ATOM 0 HA ASP A 320 -6.991 6.736 4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -5.580 7.446 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -6.349 5.907 2.137 1.00 0.00 H new ATOM 206 N GLU A 321 -3.909 7.305 4.758 1.00 0.00 N ATOM 207 CA GLU A 321 -2.594 6.738 5.171 1.00 0.00 C ATOM 208 C GLU A 321 -2.808 5.547 6.110 1.00 0.00 C ATOM 209 O GLU A 321 -1.974 4.669 6.205 1.00 0.00 O ATOM 210 CB GLU A 321 -1.782 7.813 5.898 1.00 0.00 C ATOM 211 CG GLU A 321 -0.402 7.260 6.257 1.00 0.00 C ATOM 212 CD GLU A 321 0.372 8.303 7.066 1.00 0.00 C ATOM 213 OE1 GLU A 321 -0.188 9.355 7.328 1.00 0.00 O ATOM 214 OE2 GLU A 321 1.511 8.032 7.408 1.00 0.00 O ATOM 0 H GLU A 321 -3.996 8.316 4.866 1.00 0.00 H new ATOM 0 HA GLU A 321 -2.056 6.404 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -1.678 8.694 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -2.304 8.129 6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.506 6.341 6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 321 0.147 7.007 5.350 1.00 0.00 H new ATOM 221 N ASP A 322 -3.910 5.504 6.802 1.00 0.00 N ATOM 222 CA ASP A 322 -4.157 4.365 7.726 1.00 0.00 C ATOM 223 C ASP A 322 -4.118 3.043 6.946 1.00 0.00 C ATOM 224 O ASP A 322 -3.637 2.041 7.437 1.00 0.00 O ATOM 225 CB ASP A 322 -5.532 4.535 8.373 1.00 0.00 C ATOM 226 CG ASP A 322 -5.512 5.751 9.301 1.00 0.00 C ATOM 227 OD1 ASP A 322 -4.431 6.245 9.575 1.00 0.00 O ATOM 228 OD2 ASP A 322 -6.579 6.166 9.724 1.00 0.00 O ATOM 0 H ASP A 322 -4.649 6.206 6.768 1.00 0.00 H new ATOM 0 HA ASP A 322 -3.385 4.348 8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -6.294 4.663 7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -5.794 3.639 8.936 1.00 0.00 H new ATOM 233 N ARG A 323 -4.624 3.034 5.741 1.00 0.00 N ATOM 234 CA ARG A 323 -4.622 1.778 4.931 1.00 0.00 C ATOM 235 C ARG A 323 -3.634 1.888 3.767 1.00 0.00 C ATOM 236 O ARG A 323 -3.652 1.086 2.855 1.00 0.00 O ATOM 237 CB ARG A 323 -6.023 1.520 4.378 1.00 0.00 C ATOM 238 CG ARG A 323 -6.965 1.162 5.524 1.00 0.00 C ATOM 239 CD ARG A 323 -8.328 0.771 4.958 1.00 0.00 C ATOM 240 NE ARG A 323 -8.929 1.938 4.254 1.00 0.00 N ATOM 241 CZ ARG A 323 -9.402 2.942 4.941 1.00 0.00 C ATOM 242 NH1 ARG A 323 -9.350 2.923 6.244 1.00 0.00 N ATOM 243 NH2 ARG A 323 -9.926 3.966 4.323 1.00 0.00 N ATOM 0 H ARG A 323 -5.040 3.844 5.281 1.00 0.00 H new ATOM 0 HA ARG A 323 -4.319 0.953 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -6.388 2.405 3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -5.994 0.709 3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -6.551 0.338 6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -7.070 2.010 6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -8.220 -0.067 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -8.986 0.440 5.762 1.00 0.00 H new ATOM 0 HE ARG A 323 -8.971 1.953 3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -8.940 2.123 6.726 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -9.720 3.708 6.781 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -9.966 3.981 3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -10.296 4.751 4.859 1.00 0.00 H new ATOM 257 N LEU A 324 -2.778 2.867 3.781 1.00 0.00 N ATOM 258 CA LEU A 324 -1.804 3.010 2.663 1.00 0.00 C ATOM 259 C LEU A 324 -0.583 2.131 2.932 1.00 0.00 C ATOM 260 O LEU A 324 0.038 2.217 3.973 1.00 0.00 O ATOM 261 CB LEU A 324 -1.362 4.470 2.564 1.00 0.00 C ATOM 262 CG LEU A 324 -0.465 4.671 1.340 1.00 0.00 C ATOM 263 CD1 LEU A 324 -1.327 4.793 0.084 1.00 0.00 C ATOM 264 CD2 LEU A 324 0.349 5.953 1.521 1.00 0.00 C ATOM 0 H LEU A 324 -2.709 3.573 4.514 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.275 2.702 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.236 5.118 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -0.825 4.757 3.468 1.00 0.00 H new ATOM 0 HG LEU A 324 0.205 3.818 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -0.685 4.936 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -1.914 3.884 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -1.997 5.647 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 324 0.990 6.102 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -0.327 6.802 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 324 0.965 5.870 2.417 1.00 0.00 H new ATOM 276 N LEU A 325 -0.232 1.293 1.996 1.00 0.00 N ATOM 277 CA LEU A 325 0.951 0.416 2.187 1.00 0.00 C ATOM 278 C LEU A 325 2.103 0.924 1.321 1.00 0.00 C ATOM 279 O LEU A 325 1.957 1.108 0.131 1.00 0.00 O ATOM 280 CB LEU A 325 0.608 -1.012 1.755 1.00 0.00 C ATOM 281 CG LEU A 325 -0.640 -1.496 2.490 1.00 0.00 C ATOM 282 CD1 LEU A 325 -0.954 -2.931 2.059 1.00 0.00 C ATOM 283 CD2 LEU A 325 -0.389 -1.461 3.999 1.00 0.00 C ATOM 0 H LEU A 325 -0.717 1.180 1.106 1.00 0.00 H new ATOM 0 HA LEU A 325 1.238 0.427 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 325 0.441 -1.045 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 325 1.446 -1.676 1.968 1.00 0.00 H new ATOM 0 HG LEU A 325 -1.482 -0.848 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -1.844 -3.281 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -1.130 -2.958 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -0.111 -3.577 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -1.280 -1.806 4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.451 -2.111 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -0.160 -0.441 4.306 1.00 0.00 H new ATOM 295 N LEU A 326 3.252 1.129 1.898 1.00 0.00 N ATOM 296 CA LEU A 326 4.408 1.597 1.097 1.00 0.00 C ATOM 297 C LEU A 326 5.175 0.369 0.611 1.00 0.00 C ATOM 298 O LEU A 326 5.334 -0.594 1.333 1.00 0.00 O ATOM 299 CB LEU A 326 5.312 2.460 1.969 1.00 0.00 C ATOM 300 CG LEU A 326 5.733 1.663 3.200 1.00 0.00 C ATOM 301 CD1 LEU A 326 7.211 1.290 3.078 1.00 0.00 C ATOM 302 CD2 LEU A 326 5.516 2.515 4.451 1.00 0.00 C ATOM 0 H LEU A 326 3.438 0.992 2.891 1.00 0.00 H new ATOM 0 HA LEU A 326 4.070 2.189 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 326 6.191 2.772 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 326 4.788 3.367 2.270 1.00 0.00 H new ATOM 0 HG LEU A 326 5.136 0.754 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 326 7.516 0.720 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 326 7.361 0.686 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 326 7.811 2.198 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 326 5.816 1.949 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 326 6.115 3.423 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 326 4.462 2.781 4.532 1.00 0.00 H new ATOM 314 N CYS A 327 5.631 0.376 -0.608 1.00 0.00 N ATOM 315 CA CYS A 327 6.357 -0.815 -1.122 1.00 0.00 C ATOM 316 C CYS A 327 7.866 -0.628 -1.002 1.00 0.00 C ATOM 317 O CYS A 327 8.456 0.190 -1.680 1.00 0.00 O ATOM 318 CB CYS A 327 6.002 -1.041 -2.588 1.00 0.00 C ATOM 319 SG CYS A 327 7.088 -2.314 -3.279 1.00 0.00 S ATOM 0 H CYS A 327 5.534 1.149 -1.267 1.00 0.00 H new ATOM 0 HA CYS A 327 6.059 -1.677 -0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 327 4.960 -1.348 -2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 327 6.110 -0.112 -3.147 1.00 0.00 H new ATOM 0 HG CYS A 327 6.548 -2.809 -4.353 1.00 0.00 H new ATOM 324 N ASP A 328 8.499 -1.402 -0.166 1.00 0.00 N ATOM 325 CA ASP A 328 9.975 -1.293 -0.032 1.00 0.00 C ATOM 326 C ASP A 328 10.609 -1.767 -1.341 1.00 0.00 C ATOM 327 O ASP A 328 11.620 -1.255 -1.779 1.00 0.00 O ATOM 328 CB ASP A 328 10.455 -2.176 1.122 1.00 0.00 C ATOM 329 CG ASP A 328 9.907 -1.631 2.443 1.00 0.00 C ATOM 330 OD1 ASP A 328 9.425 -0.510 2.445 1.00 0.00 O ATOM 331 OD2 ASP A 328 9.980 -2.344 3.431 1.00 0.00 O ATOM 0 H ASP A 328 8.058 -2.104 0.429 1.00 0.00 H new ATOM 0 HA ASP A 328 10.260 -0.261 0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 328 10.120 -3.202 0.973 1.00 0.00 H new ATOM 0 HB3 ASP A 328 11.544 -2.197 1.149 1.00 0.00 H new ATOM 336 N GLY A 329 10.010 -2.746 -1.969 1.00 0.00 N ATOM 337 CA GLY A 329 10.561 -3.266 -3.253 1.00 0.00 C ATOM 338 C GLY A 329 10.664 -2.123 -4.264 1.00 0.00 C ATOM 339 O GLY A 329 11.610 -2.033 -5.022 1.00 0.00 O ATOM 0 H GLY A 329 9.160 -3.208 -1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 329 11.543 -3.708 -3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 329 9.918 -4.055 -3.644 1.00 0.00 H new ATOM 343 N CYS A 330 9.700 -1.247 -4.275 1.00 0.00 N ATOM 344 CA CYS A 330 9.734 -0.102 -5.228 1.00 0.00 C ATOM 345 C CYS A 330 8.944 1.064 -4.633 1.00 0.00 C ATOM 346 O CYS A 330 8.072 0.876 -3.814 1.00 0.00 O ATOM 347 CB CYS A 330 9.106 -0.522 -6.560 1.00 0.00 C ATOM 348 SG CYS A 330 7.304 -0.410 -6.441 1.00 0.00 S ATOM 0 H CYS A 330 8.885 -1.274 -3.662 1.00 0.00 H new ATOM 0 HA CYS A 330 10.766 0.202 -5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 330 9.468 0.120 -7.363 1.00 0.00 H new ATOM 0 HB3 CYS A 330 9.402 -1.541 -6.808 1.00 0.00 H new ATOM 0 HG CYS A 330 6.901 -1.024 -5.368 1.00 0.00 H new ATOM 353 N ASP A 331 9.238 2.267 -5.033 1.00 0.00 N ATOM 354 CA ASP A 331 8.496 3.430 -4.473 1.00 0.00 C ATOM 355 C ASP A 331 7.058 3.411 -4.989 1.00 0.00 C ATOM 356 O ASP A 331 6.732 4.041 -5.974 1.00 0.00 O ATOM 357 CB ASP A 331 9.178 4.728 -4.910 1.00 0.00 C ATOM 358 CG ASP A 331 8.526 5.913 -4.196 1.00 0.00 C ATOM 359 OD1 ASP A 331 7.688 5.676 -3.341 1.00 0.00 O ATOM 360 OD2 ASP A 331 8.875 7.038 -4.516 1.00 0.00 O ATOM 0 H ASP A 331 9.956 2.496 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 331 8.493 3.370 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 331 10.242 4.689 -4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 331 9.094 4.850 -5.990 1.00 0.00 H new ATOM 365 N ASP A 332 6.192 2.693 -4.325 1.00 0.00 N ATOM 366 CA ASP A 332 4.772 2.638 -4.774 1.00 0.00 C ATOM 367 C ASP A 332 3.854 2.534 -3.555 1.00 0.00 C ATOM 368 O ASP A 332 4.050 1.700 -2.693 1.00 0.00 O ATOM 369 CB ASP A 332 4.568 1.415 -5.672 1.00 0.00 C ATOM 370 CG ASP A 332 3.155 1.442 -6.258 1.00 0.00 C ATOM 371 OD1 ASP A 332 2.468 2.429 -6.050 1.00 0.00 O ATOM 372 OD2 ASP A 332 2.785 0.477 -6.905 1.00 0.00 O ATOM 0 H ASP A 332 6.407 2.144 -3.493 1.00 0.00 H new ATOM 0 HA ASP A 332 4.533 3.543 -5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 332 5.306 1.413 -6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 332 4.718 0.500 -5.098 1.00 0.00 H new ATOM 377 N SER A 333 2.853 3.371 -3.479 1.00 0.00 N ATOM 378 CA SER A 333 1.919 3.320 -2.317 1.00 0.00 C ATOM 379 C SER A 333 0.493 3.065 -2.813 1.00 0.00 C ATOM 380 O SER A 333 0.074 3.587 -3.829 1.00 0.00 O ATOM 381 CB SER A 333 1.967 4.653 -1.573 1.00 0.00 C ATOM 382 OG SER A 333 3.307 4.924 -1.182 1.00 0.00 O ATOM 0 H SER A 333 2.642 4.088 -4.173 1.00 0.00 H new ATOM 0 HA SER A 333 2.217 2.514 -1.647 1.00 0.00 H new ATOM 0 HB2 SER A 333 1.593 5.453 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 333 1.320 4.617 -0.696 1.00 0.00 H new ATOM 0 HG SER A 333 3.604 5.764 -1.591 1.00 0.00 H new ATOM 388 N TYR A 334 -0.257 2.267 -2.099 1.00 0.00 N ATOM 389 CA TYR A 334 -1.659 1.975 -2.522 1.00 0.00 C ATOM 390 C TYR A 334 -2.500 1.593 -1.300 1.00 0.00 C ATOM 391 O TYR A 334 -1.975 1.198 -0.277 1.00 0.00 O ATOM 392 CB TYR A 334 -1.666 0.833 -3.537 1.00 0.00 C ATOM 393 CG TYR A 334 -0.712 -0.244 -3.092 1.00 0.00 C ATOM 394 CD1 TYR A 334 -1.018 -1.036 -1.982 1.00 0.00 C ATOM 395 CD2 TYR A 334 0.482 -0.446 -3.790 1.00 0.00 C ATOM 396 CE1 TYR A 334 -0.128 -2.035 -1.569 1.00 0.00 C ATOM 397 CE2 TYR A 334 1.372 -1.443 -3.380 1.00 0.00 C ATOM 398 CZ TYR A 334 1.067 -2.239 -2.268 1.00 0.00 C ATOM 399 OH TYR A 334 1.945 -3.223 -1.862 1.00 0.00 O ATOM 0 H TYR A 334 0.041 1.804 -1.240 1.00 0.00 H new ATOM 0 HA TYR A 334 -2.087 2.864 -2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.672 0.425 -3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -1.378 1.205 -4.520 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -1.940 -0.878 -1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 334 0.717 0.168 -4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -0.364 -2.648 -0.711 1.00 0.00 H new ATOM 0 HE2 TYR A 334 2.294 -1.600 -3.920 1.00 0.00 H new ATOM 0 HH TYR A 334 2.724 -3.232 -2.456 1.00 0.00 H new ATOM 409 N HIS A 335 -3.799 1.714 -1.391 1.00 0.00 N ATOM 410 CA HIS A 335 -4.658 1.362 -0.223 1.00 0.00 C ATOM 411 C HIS A 335 -4.922 -0.148 -0.198 1.00 0.00 C ATOM 412 O HIS A 335 -4.754 -0.837 -1.186 1.00 0.00 O ATOM 413 CB HIS A 335 -5.997 2.101 -0.312 1.00 0.00 C ATOM 414 CG HIS A 335 -5.763 3.584 -0.245 1.00 0.00 C ATOM 415 ND1 HIS A 335 -6.425 4.476 -1.079 1.00 0.00 N ATOM 416 CD2 HIS A 335 -4.957 4.348 0.560 1.00 0.00 C ATOM 417 CE1 HIS A 335 -6.010 5.714 -0.755 1.00 0.00 C ATOM 418 NE2 HIS A 335 -5.116 5.690 0.234 1.00 0.00 N ATOM 0 H HIS A 335 -4.299 2.039 -2.218 1.00 0.00 H new ATOM 0 HA HIS A 335 -4.138 1.657 0.688 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.504 1.845 -1.243 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.650 1.789 0.503 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -4.301 3.966 1.328 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -6.358 6.616 -1.236 1.00 0.00 H new ATOM 0 HE2 HIS A 335 -4.647 6.489 0.662 1.00 0.00 H new ATOM 426 N THR A 336 -5.339 -0.664 0.930 1.00 0.00 N ATOM 427 CA THR A 336 -5.624 -2.123 1.038 1.00 0.00 C ATOM 428 C THR A 336 -6.792 -2.489 0.124 1.00 0.00 C ATOM 429 O THR A 336 -7.003 -3.640 -0.195 1.00 0.00 O ATOM 430 CB THR A 336 -5.985 -2.452 2.487 1.00 0.00 C ATOM 431 OG1 THR A 336 -7.176 -1.767 2.844 1.00 0.00 O ATOM 432 CG2 THR A 336 -4.846 -2.016 3.411 1.00 0.00 C ATOM 0 H THR A 336 -5.495 -0.131 1.786 1.00 0.00 H new ATOM 0 HA THR A 336 -4.745 -2.692 0.737 1.00 0.00 H new ATOM 0 HB THR A 336 -6.140 -3.526 2.588 1.00 0.00 H new ATOM 0 HG1 THR A 336 -7.189 -0.887 2.413 1.00 0.00 H new ATOM 0 HG21 THR A 336 -5.105 -2.251 4.443 1.00 0.00 H new ATOM 0 HG22 THR A 336 -3.933 -2.544 3.137 1.00 0.00 H new ATOM 0 HG23 THR A 336 -4.688 -0.942 3.312 1.00 0.00 H new ATOM 440 N PHE A 337 -7.550 -1.513 -0.298 1.00 0.00 N ATOM 441 CA PHE A 337 -8.708 -1.791 -1.193 1.00 0.00 C ATOM 442 C PHE A 337 -8.414 -1.247 -2.586 1.00 0.00 C ATOM 443 O PHE A 337 -9.227 -1.333 -3.484 1.00 0.00 O ATOM 444 CB PHE A 337 -9.962 -1.132 -0.619 1.00 0.00 C ATOM 445 CG PHE A 337 -9.797 0.368 -0.632 1.00 0.00 C ATOM 446 CD1 PHE A 337 -10.199 1.109 -1.749 1.00 0.00 C ATOM 447 CD2 PHE A 337 -9.242 1.016 0.476 1.00 0.00 C ATOM 448 CE1 PHE A 337 -10.045 2.501 -1.757 1.00 0.00 C ATOM 449 CE2 PHE A 337 -9.089 2.406 0.470 1.00 0.00 C ATOM 450 CZ PHE A 337 -9.489 3.150 -0.647 1.00 0.00 C ATOM 0 H PHE A 337 -7.415 -0.530 -0.060 1.00 0.00 H new ATOM 0 HA PHE A 337 -8.873 -2.866 -1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -10.836 -1.417 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -10.134 -1.480 0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -10.628 0.608 -2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -8.931 0.443 1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -10.355 3.074 -2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -8.662 2.906 1.327 1.00 0.00 H new ATOM 0 HZ PHE A 337 -9.369 4.223 -0.653 1.00 0.00 H new ATOM 460 N CYS A 338 -7.248 -0.702 -2.776 1.00 0.00 N ATOM 461 CA CYS A 338 -6.889 -0.171 -4.114 1.00 0.00 C ATOM 462 C CYS A 338 -6.157 -1.257 -4.895 1.00 0.00 C ATOM 463 O CYS A 338 -6.574 -1.668 -5.960 1.00 0.00 O ATOM 464 CB CYS A 338 -5.973 1.045 -3.952 1.00 0.00 C ATOM 465 SG CYS A 338 -6.974 2.552 -3.984 1.00 0.00 S ATOM 0 H CYS A 338 -6.528 -0.602 -2.061 1.00 0.00 H new ATOM 0 HA CYS A 338 -7.791 0.127 -4.648 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -5.424 0.979 -3.013 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -5.234 1.068 -4.753 1.00 0.00 H new ATOM 0 HG CYS A 338 -6.756 3.241 -2.903 1.00 0.00 H new ATOM 470 N LEU A 339 -5.063 -1.721 -4.367 1.00 0.00 N ATOM 471 CA LEU A 339 -4.279 -2.780 -5.060 1.00 0.00 C ATOM 472 C LEU A 339 -4.963 -4.141 -4.901 1.00 0.00 C ATOM 473 O LEU A 339 -5.035 -4.923 -5.827 1.00 0.00 O ATOM 474 CB LEU A 339 -2.883 -2.847 -4.440 1.00 0.00 C ATOM 475 CG LEU A 339 -2.010 -3.833 -5.224 1.00 0.00 C ATOM 476 CD1 LEU A 339 -1.603 -3.219 -6.567 1.00 0.00 C ATOM 477 CD2 LEU A 339 -0.755 -4.149 -4.409 1.00 0.00 C ATOM 0 H LEU A 339 -4.673 -1.410 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 339 -4.213 -2.539 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -2.425 -1.858 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -2.953 -3.159 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 339 -2.574 -4.748 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -0.983 -3.926 -7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -2.496 -2.991 -7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -1.040 -2.302 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -0.129 -4.850 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -0.198 -3.230 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -1.042 -4.592 -3.456 1.00 0.00 H new ATOM 489 N ILE A 340 -5.430 -4.439 -3.721 1.00 0.00 N ATOM 490 CA ILE A 340 -6.071 -5.756 -3.472 1.00 0.00 C ATOM 491 C ILE A 340 -7.458 -5.553 -2.845 1.00 0.00 C ATOM 492 O ILE A 340 -7.696 -4.568 -2.181 1.00 0.00 O ATOM 493 CB ILE A 340 -5.158 -6.527 -2.519 1.00 0.00 C ATOM 494 CG1 ILE A 340 -5.003 -5.737 -1.219 1.00 0.00 C ATOM 495 CG2 ILE A 340 -3.784 -6.706 -3.167 1.00 0.00 C ATOM 496 CD1 ILE A 340 -4.004 -6.448 -0.305 1.00 0.00 C ATOM 0 H ILE A 340 -5.394 -3.819 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 340 -6.206 -6.309 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 340 -5.593 -7.504 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -4.659 -4.726 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -5.968 -5.646 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -3.131 -7.256 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -3.891 -7.262 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -3.350 -5.728 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -3.894 -5.885 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -4.367 -7.451 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -3.038 -6.516 -0.805 1.00 0.00 H new ATOM 508 N PRO A 341 -8.371 -6.479 -3.053 1.00 0.00 N ATOM 509 CA PRO A 341 -9.749 -6.388 -2.494 1.00 0.00 C ATOM 510 C PRO A 341 -9.775 -5.922 -1.027 1.00 0.00 C ATOM 511 O PRO A 341 -10.494 -5.002 -0.694 1.00 0.00 O ATOM 512 CB PRO A 341 -10.322 -7.806 -2.623 1.00 0.00 C ATOM 513 CG PRO A 341 -9.278 -8.645 -3.299 1.00 0.00 C ATOM 514 CD PRO A 341 -8.199 -7.707 -3.840 1.00 0.00 C ATOM 0 HA PRO A 341 -10.333 -5.643 -3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -10.567 -8.213 -1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -11.244 -7.797 -3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -8.847 -9.357 -2.596 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -9.720 -9.225 -4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -7.202 -8.128 -3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -8.330 -7.520 -4.906 1.00 0.00 H new ATOM 522 N PRO A 342 -8.999 -6.535 -0.155 1.00 0.00 N ATOM 523 CA PRO A 342 -8.935 -6.154 1.280 1.00 0.00 C ATOM 524 C PRO A 342 -9.239 -4.670 1.533 1.00 0.00 C ATOM 525 O PRO A 342 -9.122 -3.843 0.663 1.00 0.00 O ATOM 526 CB PRO A 342 -7.487 -6.476 1.625 1.00 0.00 C ATOM 527 CG PRO A 342 -7.151 -7.677 0.799 1.00 0.00 C ATOM 528 CD PRO A 342 -8.103 -7.679 -0.407 1.00 0.00 C ATOM 0 HA PRO A 342 -9.679 -6.676 1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -6.830 -5.639 1.390 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -7.371 -6.683 2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -6.113 -7.639 0.470 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -7.267 -8.590 1.383 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -7.560 -7.562 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -8.659 -8.614 -0.475 1.00 0.00 H new ATOM 536 N LEU A 343 -9.633 -4.333 2.726 1.00 0.00 N ATOM 537 CA LEU A 343 -9.956 -2.911 3.037 1.00 0.00 C ATOM 538 C LEU A 343 -9.643 -2.636 4.502 1.00 0.00 C ATOM 539 O LEU A 343 -9.778 -1.531 4.983 1.00 0.00 O ATOM 540 CB LEU A 343 -11.448 -2.672 2.790 1.00 0.00 C ATOM 541 CG LEU A 343 -11.770 -1.170 2.847 1.00 0.00 C ATOM 542 CD1 LEU A 343 -12.732 -0.811 1.712 1.00 0.00 C ATOM 543 CD2 LEU A 343 -12.439 -0.828 4.185 1.00 0.00 C ATOM 0 H LEU A 343 -9.747 -4.982 3.504 1.00 0.00 H new ATOM 0 HA LEU A 343 -9.365 -2.250 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -11.730 -3.074 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -12.036 -3.205 3.537 1.00 0.00 H new ATOM 0 HG LEU A 343 -10.843 -0.606 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -12.961 0.254 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -12.269 -1.047 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -13.653 -1.384 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -12.664 0.238 4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -13.363 -1.397 4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -11.766 -1.082 5.004 1.00 0.00 H new ATOM 555 N HIS A 344 -9.239 -3.639 5.220 1.00 0.00 N ATOM 556 CA HIS A 344 -8.935 -3.443 6.658 1.00 0.00 C ATOM 557 C HIS A 344 -7.429 -3.290 6.843 1.00 0.00 C ATOM 558 O HIS A 344 -6.640 -3.904 6.151 1.00 0.00 O ATOM 559 CB HIS A 344 -9.435 -4.657 7.439 1.00 0.00 C ATOM 560 CG HIS A 344 -10.916 -4.807 7.221 1.00 0.00 C ATOM 561 ND1 HIS A 344 -11.809 -4.949 8.274 1.00 0.00 N ATOM 562 CD2 HIS A 344 -11.679 -4.830 6.075 1.00 0.00 C ATOM 563 CE1 HIS A 344 -13.044 -5.051 7.748 1.00 0.00 C ATOM 564 NE2 HIS A 344 -13.018 -4.984 6.415 1.00 0.00 N ATOM 0 H HIS A 344 -9.106 -4.589 4.872 1.00 0.00 H new ATOM 0 HA HIS A 344 -9.430 -2.544 7.025 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -8.914 -5.556 7.111 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -9.222 -4.535 8.501 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -11.297 -4.742 5.069 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -13.944 -5.172 8.332 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -13.814 -5.035 5.779 1.00 0.00 H new ATOM 573 N ASP A 345 -7.022 -2.472 7.769 1.00 0.00 N ATOM 574 CA ASP A 345 -5.563 -2.274 7.995 1.00 0.00 C ATOM 575 C ASP A 345 -5.032 -3.414 8.859 1.00 0.00 C ATOM 576 O ASP A 345 -5.118 -3.384 10.071 1.00 0.00 O ATOM 577 CB ASP A 345 -5.330 -0.944 8.715 1.00 0.00 C ATOM 578 CG ASP A 345 -3.828 -0.667 8.802 1.00 0.00 C ATOM 579 OD1 ASP A 345 -3.071 -1.433 8.230 1.00 0.00 O ATOM 580 OD2 ASP A 345 -3.462 0.307 9.439 1.00 0.00 O ATOM 0 H ASP A 345 -7.634 -1.931 8.380 1.00 0.00 H new ATOM 0 HA ASP A 345 -5.044 -2.262 7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -5.829 -0.136 8.180 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -5.763 -0.979 9.715 1.00 0.00 H new ATOM 585 N VAL A 346 -4.485 -4.423 8.237 1.00 0.00 N ATOM 586 CA VAL A 346 -3.944 -5.578 9.000 1.00 0.00 C ATOM 587 C VAL A 346 -2.413 -5.595 8.877 1.00 0.00 C ATOM 588 O VAL A 346 -1.872 -5.268 7.839 1.00 0.00 O ATOM 589 CB VAL A 346 -4.525 -6.870 8.420 1.00 0.00 C ATOM 590 CG1 VAL A 346 -5.578 -7.431 9.378 1.00 0.00 C ATOM 591 CG2 VAL A 346 -5.182 -6.568 7.069 1.00 0.00 C ATOM 0 H VAL A 346 -4.390 -4.495 7.224 1.00 0.00 H new ATOM 0 HA VAL A 346 -4.218 -5.494 10.052 1.00 0.00 H new ATOM 0 HB VAL A 346 -3.727 -7.600 8.286 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -5.992 -8.351 8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -5.117 -7.641 10.343 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -6.376 -6.701 9.509 1.00 0.00 H new ATOM 0 HG21 VAL A 346 -5.597 -7.486 6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -5.980 -5.839 7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -4.437 -6.164 6.384 1.00 0.00 H new ATOM 601 N PRO A 347 -1.712 -5.968 9.922 1.00 0.00 N ATOM 602 CA PRO A 347 -0.219 -6.018 9.904 1.00 0.00 C ATOM 603 C PRO A 347 0.313 -7.072 8.928 1.00 0.00 C ATOM 604 O PRO A 347 -0.212 -8.164 8.832 1.00 0.00 O ATOM 605 CB PRO A 347 0.166 -6.377 11.343 1.00 0.00 C ATOM 606 CG PRO A 347 -1.053 -6.991 11.948 1.00 0.00 C ATOM 607 CD PRO A 347 -2.255 -6.387 11.223 1.00 0.00 C ATOM 0 HA PRO A 347 0.207 -5.072 9.570 1.00 0.00 H new ATOM 0 HB2 PRO A 347 1.005 -7.073 11.362 1.00 0.00 H new ATOM 0 HB3 PRO A 347 0.474 -5.491 11.898 1.00 0.00 H new ATOM 0 HG2 PRO A 347 -1.037 -8.075 11.835 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -1.101 -6.783 13.017 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -3.057 -7.115 11.105 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -2.670 -5.542 11.773 1.00 0.00 H new ATOM 615 N LYS A 348 1.351 -6.755 8.203 1.00 0.00 N ATOM 616 CA LYS A 348 1.916 -7.739 7.238 1.00 0.00 C ATOM 617 C LYS A 348 3.431 -7.553 7.157 1.00 0.00 C ATOM 618 O LYS A 348 3.973 -6.570 7.621 1.00 0.00 O ATOM 619 CB LYS A 348 1.304 -7.512 5.855 1.00 0.00 C ATOM 620 CG LYS A 348 1.468 -8.770 4.998 1.00 0.00 C ATOM 621 CD LYS A 348 0.854 -8.530 3.617 1.00 0.00 C ATOM 622 CE LYS A 348 0.853 -9.838 2.823 1.00 0.00 C ATOM 623 NZ LYS A 348 -0.013 -10.836 3.510 1.00 0.00 N ATOM 0 H LYS A 348 1.832 -5.856 8.238 1.00 0.00 H new ATOM 0 HA LYS A 348 1.686 -8.750 7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 348 0.247 -7.263 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 348 1.788 -6.665 5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 348 2.524 -9.021 4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 348 0.983 -9.618 5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 348 -0.164 -8.155 3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 348 1.422 -7.768 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 348 0.489 -9.661 1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 348 1.869 -10.223 2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -0.372 -11.521 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 0.541 -11.336 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -0.813 -10.349 3.961 1.00 0.00 H new ATOM 637 N GLY A 349 4.116 -8.489 6.566 1.00 0.00 N ATOM 638 CA GLY A 349 5.597 -8.369 6.445 1.00 0.00 C ATOM 639 C GLY A 349 5.935 -7.177 5.550 1.00 0.00 C ATOM 640 O GLY A 349 5.349 -6.120 5.661 1.00 0.00 O ATOM 0 H GLY A 349 3.715 -9.335 6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 349 6.045 -8.237 7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 349 6.015 -9.284 6.025 1.00 0.00 H new ATOM 644 N ASP A 350 6.869 -7.342 4.655 1.00 0.00 N ATOM 645 CA ASP A 350 7.233 -6.221 3.748 1.00 0.00 C ATOM 646 C ASP A 350 6.186 -6.129 2.639 1.00 0.00 C ATOM 647 O ASP A 350 6.002 -7.052 1.870 1.00 0.00 O ATOM 648 CB ASP A 350 8.609 -6.488 3.134 1.00 0.00 C ATOM 649 CG ASP A 350 9.043 -5.281 2.302 1.00 0.00 C ATOM 650 OD1 ASP A 350 8.354 -4.276 2.347 1.00 0.00 O ATOM 651 OD2 ASP A 350 10.058 -5.384 1.632 1.00 0.00 O ATOM 0 H ASP A 350 7.395 -8.204 4.513 1.00 0.00 H new ATOM 0 HA ASP A 350 7.266 -5.285 4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 350 9.338 -6.681 3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 350 8.572 -7.380 2.508 1.00 0.00 H new ATOM 656 N TRP A 351 5.487 -5.030 2.552 1.00 0.00 N ATOM 657 CA TRP A 351 4.446 -4.904 1.494 1.00 0.00 C ATOM 658 C TRP A 351 5.117 -4.769 0.127 1.00 0.00 C ATOM 659 O TRP A 351 5.913 -3.884 -0.103 1.00 0.00 O ATOM 660 CB TRP A 351 3.591 -3.665 1.764 1.00 0.00 C ATOM 661 CG TRP A 351 2.829 -3.849 3.037 1.00 0.00 C ATOM 662 CD1 TRP A 351 1.757 -4.662 3.189 1.00 0.00 C ATOM 663 CD2 TRP A 351 3.055 -3.224 4.333 1.00 0.00 C ATOM 664 NE1 TRP A 351 1.312 -4.575 4.495 1.00 0.00 N ATOM 665 CE2 TRP A 351 2.081 -3.702 5.240 1.00 0.00 C ATOM 666 CE3 TRP A 351 4.003 -2.298 4.805 1.00 0.00 C ATOM 667 CZ2 TRP A 351 2.047 -3.277 6.569 1.00 0.00 C ATOM 668 CZ3 TRP A 351 3.972 -1.868 6.141 1.00 0.00 C ATOM 669 CH2 TRP A 351 2.996 -2.357 7.021 1.00 0.00 C ATOM 0 H TRP A 351 5.591 -4.220 3.163 1.00 0.00 H new ATOM 0 HA TRP A 351 3.814 -5.792 1.502 1.00 0.00 H new ATOM 0 HB2 TRP A 351 4.225 -2.781 1.832 1.00 0.00 H new ATOM 0 HB3 TRP A 351 2.901 -3.499 0.936 1.00 0.00 H new ATOM 0 HD1 TRP A 351 1.321 -5.278 2.416 1.00 0.00 H new ATOM 0 HE1 TRP A 351 0.514 -5.092 4.863 1.00 0.00 H new ATOM 0 HE3 TRP A 351 4.759 -1.916 4.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 1.293 -3.656 7.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 4.704 -1.156 6.493 1.00 0.00 H new ATOM 0 HH2 TRP A 351 2.978 -2.023 8.048 1.00 0.00 H new ATOM 680 N ARG A 352 4.795 -5.646 -0.781 1.00 0.00 N ATOM 681 CA ARG A 352 5.394 -5.584 -2.140 1.00 0.00 C ATOM 682 C ARG A 352 4.288 -5.668 -3.191 1.00 0.00 C ATOM 683 O ARG A 352 3.393 -6.485 -3.095 1.00 0.00 O ATOM 684 CB ARG A 352 6.359 -6.755 -2.323 1.00 0.00 C ATOM 685 CG ARG A 352 7.564 -6.576 -1.400 1.00 0.00 C ATOM 686 CD ARG A 352 8.587 -7.672 -1.694 1.00 0.00 C ATOM 687 NE ARG A 352 9.714 -7.574 -0.723 1.00 0.00 N ATOM 688 CZ ARG A 352 10.864 -8.126 -1.000 1.00 0.00 C ATOM 689 NH1 ARG A 352 11.028 -8.763 -2.128 1.00 0.00 N ATOM 690 NH2 ARG A 352 11.850 -8.041 -0.150 1.00 0.00 N ATOM 0 H ARG A 352 4.135 -6.411 -0.637 1.00 0.00 H new ATOM 0 HA ARG A 352 5.934 -4.644 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 352 5.853 -7.694 -2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 352 6.688 -6.809 -3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 352 8.011 -5.594 -1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 352 7.250 -6.625 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 352 8.116 -8.652 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 352 8.961 -7.571 -2.713 1.00 0.00 H new ATOM 0 HE ARG A 352 9.586 -7.076 0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 352 10.257 -8.829 -2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 352 11.927 -9.194 -2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 352 11.722 -7.543 0.731 1.00 0.00 H new ATOM 0 HH22 ARG A 352 12.749 -8.472 -0.366 1.00 0.00 H new ATOM 704 N CYS A 353 4.350 -4.852 -4.205 1.00 0.00 N ATOM 705 CA CYS A 353 3.312 -4.918 -5.267 1.00 0.00 C ATOM 706 C CYS A 353 3.410 -6.304 -5.915 1.00 0.00 C ATOM 707 O CYS A 353 4.463 -6.909 -5.914 1.00 0.00 O ATOM 708 CB CYS A 353 3.588 -3.833 -6.311 1.00 0.00 C ATOM 709 SG CYS A 353 4.237 -2.355 -5.501 1.00 0.00 S ATOM 0 H CYS A 353 5.072 -4.145 -4.343 1.00 0.00 H new ATOM 0 HA CYS A 353 2.316 -4.759 -4.855 1.00 0.00 H new ATOM 0 HB2 CYS A 353 4.303 -4.198 -7.048 1.00 0.00 H new ATOM 0 HB3 CYS A 353 2.671 -3.591 -6.849 1.00 0.00 H new ATOM 0 HG CYS A 353 5.215 -1.868 -6.205 1.00 0.00 H new ATOM 714 N PRO A 354 2.335 -6.825 -6.443 1.00 0.00 N ATOM 715 CA PRO A 354 2.348 -8.176 -7.065 1.00 0.00 C ATOM 716 C PRO A 354 3.528 -8.351 -8.026 1.00 0.00 C ATOM 717 O PRO A 354 4.177 -9.378 -8.035 1.00 0.00 O ATOM 718 CB PRO A 354 1.015 -8.265 -7.825 1.00 0.00 C ATOM 719 CG PRO A 354 0.347 -6.930 -7.684 1.00 0.00 C ATOM 720 CD PRO A 354 1.009 -6.211 -6.509 1.00 0.00 C ATOM 0 HA PRO A 354 2.461 -8.960 -6.316 1.00 0.00 H new ATOM 0 HB2 PRO A 354 1.184 -8.504 -8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 354 0.388 -9.057 -7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 354 0.454 -6.348 -8.600 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.722 -7.052 -7.507 1.00 0.00 H new ATOM 0 HD2 PRO A 354 1.071 -5.136 -6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 354 0.452 -6.356 -5.583 1.00 0.00 H new ATOM 728 N LYS A 355 3.842 -7.351 -8.804 1.00 0.00 N ATOM 729 CA LYS A 355 5.009 -7.482 -9.721 1.00 0.00 C ATOM 730 C LYS A 355 6.282 -7.557 -8.881 1.00 0.00 C ATOM 731 O LYS A 355 7.209 -8.278 -9.194 1.00 0.00 O ATOM 732 CB LYS A 355 5.079 -6.272 -10.656 1.00 0.00 C ATOM 733 CG LYS A 355 5.269 -5.008 -9.824 1.00 0.00 C ATOM 734 CD LYS A 355 5.240 -3.783 -10.740 1.00 0.00 C ATOM 735 CE LYS A 355 5.713 -2.553 -9.961 1.00 0.00 C ATOM 736 NZ LYS A 355 7.049 -2.129 -10.466 1.00 0.00 N ATOM 0 H LYS A 355 3.348 -6.460 -8.845 1.00 0.00 H new ATOM 0 HA LYS A 355 4.904 -8.384 -10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 355 5.904 -6.387 -11.359 1.00 0.00 H new ATOM 0 HB3 LYS A 355 4.166 -6.200 -11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 355 4.482 -4.932 -9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.217 -5.052 -9.288 1.00 0.00 H new ATOM 0 HD2 LYS A 355 5.882 -3.947 -11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 355 4.230 -3.622 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 355 4.995 -1.740 -10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 355 5.771 -2.783 -8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 7.371 -1.293 -9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 7.731 -2.904 -10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 6.979 -1.893 -11.477 1.00 0.00 H new ATOM 750 N CYS A 356 6.322 -6.817 -7.809 1.00 0.00 N ATOM 751 CA CYS A 356 7.516 -6.832 -6.926 1.00 0.00 C ATOM 752 C CYS A 356 7.636 -8.204 -6.261 1.00 0.00 C ATOM 753 O CYS A 356 8.720 -8.708 -6.047 1.00 0.00 O ATOM 754 CB CYS A 356 7.370 -5.737 -5.864 1.00 0.00 C ATOM 755 SG CYS A 356 7.483 -4.116 -6.662 1.00 0.00 S ATOM 0 H CYS A 356 5.571 -6.197 -7.506 1.00 0.00 H new ATOM 0 HA CYS A 356 8.416 -6.643 -7.511 1.00 0.00 H new ATOM 0 HB2 CYS A 356 6.414 -5.837 -5.350 1.00 0.00 H new ATOM 0 HB3 CYS A 356 8.150 -5.839 -5.109 1.00 0.00 H new ATOM 0 HG CYS A 356 6.427 -3.415 -6.372 1.00 0.00 H new ATOM 760 N LEU A 357 6.528 -8.813 -5.937 1.00 0.00 N ATOM 761 CA LEU A 357 6.578 -10.155 -5.289 1.00 0.00 C ATOM 762 C LEU A 357 7.291 -11.142 -6.215 1.00 0.00 C ATOM 763 O LEU A 357 8.016 -12.011 -5.773 1.00 0.00 O ATOM 764 CB LEU A 357 5.152 -10.644 -5.020 1.00 0.00 C ATOM 765 CG LEU A 357 5.202 -11.972 -4.258 1.00 0.00 C ATOM 766 CD1 LEU A 357 5.757 -11.741 -2.851 1.00 0.00 C ATOM 767 CD2 LEU A 357 3.788 -12.550 -4.157 1.00 0.00 C ATOM 0 H LEU A 357 5.591 -8.440 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 357 7.122 -10.085 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 357 4.605 -9.901 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 357 4.617 -10.772 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 357 5.849 -12.670 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 357 5.791 -12.688 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 357 6.763 -11.327 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 357 5.113 -11.043 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 357 3.819 -13.495 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 357 3.145 -11.848 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 357 3.391 -12.718 -5.158 1.00 0.00 H new ATOM 779 N ALA A 358 7.089 -11.015 -7.497 1.00 0.00 N ATOM 780 CA ALA A 358 7.751 -11.945 -8.454 1.00 0.00 C ATOM 781 C ALA A 358 9.271 -11.809 -8.336 1.00 0.00 C ATOM 782 O ALA A 358 10.006 -12.751 -8.554 1.00 0.00 O ATOM 783 CB ALA A 358 7.319 -11.600 -9.881 1.00 0.00 C ATOM 0 H ALA A 358 6.493 -10.306 -7.924 1.00 0.00 H new ATOM 0 HA ALA A 358 7.460 -12.969 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 358 7.803 -12.280 -10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 358 6.237 -11.699 -9.968 1.00 0.00 H new ATOM 0 HB3 ALA A 358 7.609 -10.575 -10.111 1.00 0.00 H new ATOM 789 N GLN A 359 9.746 -10.644 -7.993 1.00 0.00 N ATOM 790 CA GLN A 359 11.218 -10.450 -7.864 1.00 0.00 C ATOM 791 C GLN A 359 11.775 -11.432 -6.831 1.00 0.00 C ATOM 792 O GLN A 359 12.879 -11.922 -6.958 1.00 0.00 O ATOM 793 CB GLN A 359 11.506 -9.017 -7.413 1.00 0.00 C ATOM 794 CG GLN A 359 11.052 -8.040 -8.500 1.00 0.00 C ATOM 795 CD GLN A 359 11.287 -6.604 -8.027 1.00 0.00 C ATOM 796 OE1 GLN A 359 11.477 -6.363 -6.851 1.00 0.00 O ATOM 797 NE2 GLN A 359 11.283 -5.634 -8.900 1.00 0.00 N ATOM 0 H GLN A 359 9.180 -9.819 -7.797 1.00 0.00 H new ATOM 0 HA GLN A 359 11.693 -10.630 -8.828 1.00 0.00 H new ATOM 0 HB2 GLN A 359 10.985 -8.807 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 359 12.571 -8.892 -7.219 1.00 0.00 H new ATOM 0 HG2 GLN A 359 11.602 -8.225 -9.423 1.00 0.00 H new ATOM 0 HG3 GLN A 359 9.996 -8.192 -8.723 1.00 0.00 H new ATOM 0 HE21 GLN A 359 11.124 -5.837 -9.887 1.00 0.00 H new ATOM 0 HE22 GLN A 359 11.439 -4.673 -8.595 1.00 0.00 H new ATOM 806 N GLU A 360 11.017 -11.724 -5.810 1.00 0.00 N ATOM 807 CA GLU A 360 11.501 -12.673 -4.771 1.00 0.00 C ATOM 808 C GLU A 360 11.715 -14.052 -5.399 1.00 0.00 C ATOM 809 O GLU A 360 11.994 -14.981 -4.659 1.00 0.00 O ATOM 810 CB GLU A 360 10.458 -12.775 -3.659 1.00 0.00 C ATOM 811 CG GLU A 360 10.296 -11.412 -2.982 1.00 0.00 C ATOM 812 CD GLU A 360 9.313 -11.534 -1.817 1.00 0.00 C ATOM 813 OE1 GLU A 360 8.684 -12.573 -1.704 1.00 0.00 O ATOM 814 OE2 GLU A 360 9.206 -10.586 -1.057 1.00 0.00 O ATOM 815 OXT GLU A 360 11.596 -14.155 -6.609 1.00 0.00 O ATOM 0 H GLU A 360 10.083 -11.346 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 360 12.444 -12.314 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 360 9.504 -13.104 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 360 10.764 -13.522 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 360 11.261 -11.056 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 360 9.934 -10.678 -3.702 1.00 0.00 H new