USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 566 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 NoAdj-H: A 319 HIS HD1 : A 319 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: B 19 GLN : amide:sc= -1.05 K(o=-1,f=-0.42) USER MOD Set 1.2: B 21 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 324 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 338 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -171:sc= -0.0317 (180deg=-0.134) USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 295 ASN : amide:sc= -3.27! C(o=-3.3!,f=-2.9!) USER MOD Single : A 310 CYS SG : rot -36:sc= -1.34! USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 97:sc= 0.205 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 342 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 344 THR OG1 : rot -5:sc= 0.989 USER MOD Single : A 346 GLN : amide:sc= -0.856 K(o=-0.86,f=0) USER MOD Single : B 1 ALA N :NH3+ -122:sc= 0.393 (180deg=-1.31) USER MOD Single : B 3 THR OG1 : rot -8:sc= 1.1 USER MOD Single : B 4 LYS NZ :NH3+ 176:sc= 0.1 (180deg=0.0966) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 6 THR OG1 : rot 90:sc= -0.115 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 36:sc= 0.752 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 LYS NZ :NH3+ -165:sc= -0.0435 (180deg=-0.274) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 3.437 4.182 -13.194 1.00 0.00 N ATOM 2 CA GLY A -2 2.385 3.850 -14.193 1.00 0.00 C ATOM 3 C GLY A -2 1.749 2.497 -13.941 1.00 0.00 C ATOM 4 O GLY A -2 0.602 2.263 -14.321 1.00 0.00 O ATOM 0 H1 GLY A -2 3.732 5.172 -13.316 1.00 0.00 H new ATOM 0 H2 GLY A -2 3.059 4.050 -12.234 1.00 0.00 H new ATOM 0 H3 GLY A -2 4.257 3.557 -13.332 1.00 0.00 H new ATOM 0 HA2 GLY A -2 1.613 4.620 -14.172 1.00 0.00 H new ATOM 0 HA3 GLY A -2 2.821 3.862 -15.192 1.00 0.00 H new ATOM 10 N SER A -1 2.497 1.604 -13.299 1.00 0.00 N ATOM 11 CA SER A -1 2.000 0.267 -12.995 1.00 0.00 C ATOM 12 C SER A -1 2.132 -0.034 -11.506 1.00 0.00 C ATOM 13 O SER A -1 1.313 -0.752 -10.932 1.00 0.00 O ATOM 14 CB SER A -1 2.762 -0.780 -13.811 1.00 0.00 C ATOM 15 OG SER A -1 2.273 -2.084 -13.550 1.00 0.00 O ATOM 0 H SER A -1 3.449 1.783 -12.980 1.00 0.00 H new ATOM 0 HA SER A -1 0.944 0.227 -13.263 1.00 0.00 H new ATOM 0 HB2 SER A -1 2.666 -0.558 -14.874 1.00 0.00 H new ATOM 0 HB3 SER A -1 3.824 -0.731 -13.570 1.00 0.00 H new ATOM 0 HG SER A -1 2.775 -2.735 -14.084 1.00 0.00 H new ATOM 21 N LYS A 294 3.168 0.523 -10.887 1.00 0.00 N ATOM 22 CA LYS A 294 3.411 0.320 -9.463 1.00 0.00 C ATOM 23 C LYS A 294 2.724 1.406 -8.641 1.00 0.00 C ATOM 24 O LYS A 294 3.354 2.043 -7.797 1.00 0.00 O ATOM 25 CB LYS A 294 4.911 0.325 -9.178 1.00 0.00 C ATOM 26 CG LYS A 294 5.286 -0.422 -7.910 1.00 0.00 C ATOM 27 CD LYS A 294 6.789 -0.454 -7.705 1.00 0.00 C ATOM 28 CE LYS A 294 7.479 -1.324 -8.739 1.00 0.00 C ATOM 29 NZ LYS A 294 8.961 -1.246 -8.630 1.00 0.00 N ATOM 0 H LYS A 294 3.854 1.119 -11.350 1.00 0.00 H new ATOM 0 HA LYS A 294 2.997 -0.648 -9.179 1.00 0.00 H new ATOM 0 HB2 LYS A 294 5.435 -0.122 -10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 294 5.255 1.356 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 294 4.811 0.054 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 294 4.903 -1.441 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 294 7.185 0.560 -7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 294 7.012 -0.830 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 294 7.160 -2.359 -8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 294 7.172 -1.014 -9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 9.395 -1.854 -9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 9.268 -0.263 -8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 9.257 -1.566 -7.686 1.00 0.00 H new ATOM 43 N ASN A 295 1.429 1.603 -8.901 1.00 0.00 N ATOM 44 CA ASN A 295 0.627 2.617 -8.208 1.00 0.00 C ATOM 45 C ASN A 295 1.356 3.956 -8.135 1.00 0.00 C ATOM 46 O ASN A 295 2.414 4.140 -8.738 1.00 0.00 O ATOM 47 CB ASN A 295 0.244 2.156 -6.793 1.00 0.00 C ATOM 48 CG ASN A 295 1.440 1.782 -5.941 1.00 0.00 C ATOM 49 OD1 ASN A 295 2.031 2.629 -5.270 1.00 0.00 O ATOM 50 ND2 ASN A 295 1.803 0.504 -5.961 1.00 0.00 N ATOM 0 H ASN A 295 0.908 1.067 -9.595 1.00 0.00 H new ATOM 0 HA ASN A 295 -0.284 2.751 -8.791 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.312 2.952 -6.297 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -0.424 1.298 -6.866 1.00 0.00 H new ATOM 0 HD21 ASN A 295 2.600 0.191 -5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 295 1.285 -0.164 -6.531 1.00 0.00 H new ATOM 57 N GLU A 296 0.765 4.899 -7.413 1.00 0.00 N ATOM 58 CA GLU A 296 1.362 6.215 -7.246 1.00 0.00 C ATOM 59 C GLU A 296 1.987 6.335 -5.864 1.00 0.00 C ATOM 60 O GLU A 296 1.275 6.431 -4.867 1.00 0.00 O ATOM 61 CB GLU A 296 0.314 7.311 -7.444 1.00 0.00 C ATOM 62 CG GLU A 296 0.223 7.816 -8.872 1.00 0.00 C ATOM 63 CD GLU A 296 -0.279 6.760 -9.837 1.00 0.00 C ATOM 64 OE1 GLU A 296 0.537 5.926 -10.283 1.00 0.00 O ATOM 65 OE2 GLU A 296 -1.488 6.769 -10.150 1.00 0.00 O ATOM 0 H GLU A 296 -0.127 4.776 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 296 2.139 6.339 -8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -0.661 6.929 -7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 296 0.547 8.148 -6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -0.442 8.679 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 296 1.206 8.159 -9.195 1.00 0.00 H new ATOM 72 N ASP A 297 3.320 6.310 -5.818 1.00 0.00 N ATOM 73 CA ASP A 297 4.053 6.413 -4.556 1.00 0.00 C ATOM 74 C ASP A 297 3.597 7.625 -3.749 1.00 0.00 C ATOM 75 O ASP A 297 4.229 8.681 -3.782 1.00 0.00 O ATOM 76 CB ASP A 297 5.562 6.491 -4.816 1.00 0.00 C ATOM 77 CG ASP A 297 5.900 6.578 -6.291 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.841 7.694 -6.851 1.00 0.00 O ATOM 79 OD2 ASP A 297 6.223 5.529 -6.888 1.00 0.00 O ATOM 0 H ASP A 297 3.914 6.219 -6.642 1.00 0.00 H new ATOM 0 HA ASP A 297 3.840 5.517 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.970 7.362 -4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 297 6.046 5.613 -4.388 1.00 0.00 H new ATOM 84 N GLU A 298 2.498 7.451 -3.021 1.00 0.00 N ATOM 85 CA GLU A 298 1.925 8.508 -2.199 1.00 0.00 C ATOM 86 C GLU A 298 0.658 8.015 -1.508 1.00 0.00 C ATOM 87 O GLU A 298 -0.203 7.397 -2.134 1.00 0.00 O ATOM 88 CB GLU A 298 1.612 9.744 -3.041 1.00 0.00 C ATOM 89 CG GLU A 298 0.547 9.517 -4.101 1.00 0.00 C ATOM 90 CD GLU A 298 0.158 10.794 -4.821 1.00 0.00 C ATOM 91 OE1 GLU A 298 0.929 11.241 -5.696 1.00 0.00 O ATOM 92 OE2 GLU A 298 -0.918 11.345 -4.510 1.00 0.00 O ATOM 0 H GLU A 298 1.981 6.573 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 298 2.659 8.782 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 298 1.287 10.548 -2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 298 2.528 10.081 -3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 298 0.912 8.791 -4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.338 9.083 -3.635 1.00 0.00 H new ATOM 99 N CYS A 299 0.556 8.281 -0.213 1.00 0.00 N ATOM 100 CA CYS A 299 -0.603 7.862 0.567 1.00 0.00 C ATOM 101 C CYS A 299 -1.772 8.822 0.363 1.00 0.00 C ATOM 102 O CYS A 299 -1.719 9.981 0.775 1.00 0.00 O ATOM 103 CB CYS A 299 -0.219 7.777 2.035 1.00 0.00 C ATOM 104 SG CYS A 299 -1.600 7.957 3.203 1.00 0.00 S ATOM 0 H CYS A 299 1.263 8.786 0.322 1.00 0.00 H new ATOM 0 HA CYS A 299 -0.925 6.878 0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.265 6.817 2.213 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.519 8.550 2.247 1.00 0.00 H new ATOM 109 N ALA A 300 -2.834 8.310 -0.253 1.00 0.00 N ATOM 110 CA ALA A 300 -4.022 9.103 -0.561 1.00 0.00 C ATOM 111 C ALA A 300 -4.757 9.618 0.679 1.00 0.00 C ATOM 112 O ALA A 300 -5.837 10.196 0.555 1.00 0.00 O ATOM 113 CB ALA A 300 -4.975 8.287 -1.422 1.00 0.00 C ATOM 0 H ALA A 300 -2.896 7.337 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.674 9.984 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.860 8.882 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.477 8.007 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.272 7.387 -0.884 1.00 0.00 H new ATOM 119 N VAL A 301 -4.194 9.421 1.870 1.00 0.00 N ATOM 120 CA VAL A 301 -4.858 9.887 3.087 1.00 0.00 C ATOM 121 C VAL A 301 -4.091 11.015 3.784 1.00 0.00 C ATOM 122 O VAL A 301 -4.704 11.897 4.384 1.00 0.00 O ATOM 123 CB VAL A 301 -5.098 8.735 4.092 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.850 7.395 3.432 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.248 8.899 5.343 1.00 0.00 C ATOM 0 H VAL A 301 -3.300 8.953 2.018 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.820 10.280 2.759 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.141 8.774 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -5.023 6.596 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.528 7.274 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.820 7.348 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.443 8.072 6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.193 8.902 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.498 9.840 5.832 1.00 0.00 H new ATOM 135 N CYS A 302 -2.759 10.997 3.711 1.00 0.00 N ATOM 136 CA CYS A 302 -1.970 12.027 4.387 1.00 0.00 C ATOM 137 C CYS A 302 -0.805 12.520 3.527 1.00 0.00 C ATOM 138 O CYS A 302 0.099 13.195 4.018 1.00 0.00 O ATOM 139 CB CYS A 302 -1.476 11.516 5.749 1.00 0.00 C ATOM 140 SG CYS A 302 -0.031 10.408 5.686 1.00 0.00 S ATOM 0 H CYS A 302 -2.215 10.299 3.204 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.623 12.884 4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.228 12.375 6.373 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.295 10.991 6.241 1.00 0.00 H new ATOM 145 N ARG A 303 -0.846 12.181 2.242 1.00 0.00 N ATOM 146 CA ARG A 303 0.174 12.606 1.281 1.00 0.00 C ATOM 147 C ARG A 303 1.602 12.411 1.799 1.00 0.00 C ATOM 148 O ARG A 303 2.513 13.131 1.392 1.00 0.00 O ATOM 149 CB ARG A 303 -0.037 14.077 0.916 1.00 0.00 C ATOM 150 CG ARG A 303 -1.409 14.374 0.333 1.00 0.00 C ATOM 151 CD ARG A 303 -1.593 13.704 -1.016 1.00 0.00 C ATOM 152 NE ARG A 303 -2.978 13.770 -1.475 1.00 0.00 N ATOM 153 CZ ARG A 303 -3.337 13.700 -2.753 1.00 0.00 C ATOM 154 NH1 ARG A 303 -2.415 13.573 -3.700 1.00 0.00 N ATOM 155 NH2 ARG A 303 -4.619 13.759 -3.087 1.00 0.00 N ATOM 0 H ARG A 303 -1.584 11.606 1.836 1.00 0.00 H new ATOM 0 HA ARG A 303 0.060 11.973 0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 303 0.109 14.687 1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.726 14.376 0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.181 14.029 1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.535 15.451 0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -0.945 14.183 -1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -1.283 12.661 -0.948 1.00 0.00 H new ATOM 0 HE ARG A 303 -3.712 13.876 -0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -1.428 13.529 -3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -2.694 13.520 -4.680 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.331 13.858 -2.363 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -4.893 13.705 -4.068 1.00 0.00 H new ATOM 169 N ASP A 304 1.801 11.444 2.689 1.00 0.00 N ATOM 170 CA ASP A 304 3.133 11.180 3.228 1.00 0.00 C ATOM 171 C ASP A 304 3.739 9.936 2.585 1.00 0.00 C ATOM 172 O ASP A 304 3.101 9.283 1.757 1.00 0.00 O ATOM 173 CB ASP A 304 3.078 11.016 4.748 1.00 0.00 C ATOM 174 CG ASP A 304 2.669 12.296 5.454 1.00 0.00 C ATOM 175 OD1 ASP A 304 2.854 13.382 4.868 1.00 0.00 O ATOM 176 OD2 ASP A 304 2.167 12.210 6.595 1.00 0.00 O ATOM 0 H ASP A 304 1.066 10.835 3.050 1.00 0.00 H new ATOM 0 HA ASP A 304 3.767 12.035 2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.373 10.224 5.000 1.00 0.00 H new ATOM 0 HB3 ASP A 304 4.056 10.700 5.112 1.00 0.00 H new ATOM 181 N GLY A 305 4.973 9.613 2.968 1.00 0.00 N ATOM 182 CA GLY A 305 5.642 8.454 2.403 1.00 0.00 C ATOM 183 C GLY A 305 5.851 7.336 3.405 1.00 0.00 C ATOM 184 O GLY A 305 5.656 7.518 4.607 1.00 0.00 O ATOM 0 H GLY A 305 5.519 10.131 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.055 8.077 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.609 8.760 2.003 1.00 0.00 H new ATOM 188 N GLY A 306 6.268 6.179 2.899 1.00 0.00 N ATOM 189 CA GLY A 306 6.489 5.014 3.738 1.00 0.00 C ATOM 190 C GLY A 306 5.872 3.775 3.123 1.00 0.00 C ATOM 191 O GLY A 306 5.578 3.763 1.928 1.00 0.00 O ATOM 0 H GLY A 306 6.459 6.027 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.559 4.860 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.060 5.186 4.725 1.00 0.00 H new ATOM 195 N GLU A 307 5.671 2.729 3.915 1.00 0.00 N ATOM 196 CA GLU A 307 5.066 1.511 3.391 1.00 0.00 C ATOM 197 C GLU A 307 3.590 1.751 3.098 1.00 0.00 C ATOM 198 O GLU A 307 2.800 1.982 4.013 1.00 0.00 O ATOM 199 CB GLU A 307 5.217 0.352 4.378 1.00 0.00 C ATOM 200 CG GLU A 307 4.803 -0.991 3.794 1.00 0.00 C ATOM 201 CD GLU A 307 4.738 -2.093 4.832 1.00 0.00 C ATOM 202 OE1 GLU A 307 5.696 -2.222 5.622 1.00 0.00 O ATOM 203 OE2 GLU A 307 3.727 -2.827 4.852 1.00 0.00 O ATOM 0 H GLU A 307 5.913 2.698 4.905 1.00 0.00 H new ATOM 0 HA GLU A 307 5.582 1.244 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.255 0.294 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.615 0.557 5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 307 3.827 -0.889 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.509 -1.275 3.014 1.00 0.00 H new ATOM 210 N LEU A 308 3.220 1.698 1.822 1.00 0.00 N ATOM 211 CA LEU A 308 1.835 1.921 1.429 1.00 0.00 C ATOM 212 C LEU A 308 1.259 0.699 0.719 1.00 0.00 C ATOM 213 O LEU A 308 1.977 -0.038 0.049 1.00 0.00 O ATOM 214 CB LEU A 308 1.718 3.141 0.512 1.00 0.00 C ATOM 215 CG LEU A 308 2.794 4.207 0.674 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.744 5.180 -0.494 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.600 4.945 1.981 1.00 0.00 C ATOM 0 H LEU A 308 3.856 1.504 1.048 1.00 0.00 H new ATOM 0 HA LEU A 308 1.265 2.101 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.730 2.796 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.747 3.606 0.681 1.00 0.00 H new ATOM 0 HG LEU A 308 3.772 3.725 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.517 5.938 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.913 4.639 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.766 5.660 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.374 5.705 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.620 5.422 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.666 4.240 2.810 1.00 0.00 H new ATOM 229 N ILE A 309 -0.047 0.505 0.867 1.00 0.00 N ATOM 230 CA ILE A 309 -0.748 -0.614 0.252 1.00 0.00 C ATOM 231 C ILE A 309 -1.624 -0.138 -0.901 1.00 0.00 C ATOM 232 O ILE A 309 -2.570 0.625 -0.706 1.00 0.00 O ATOM 233 CB ILE A 309 -1.624 -1.341 1.285 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.457 -2.435 0.620 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.519 -0.347 1.999 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.250 -3.262 1.605 1.00 0.00 C ATOM 0 H ILE A 309 -0.648 1.119 1.416 1.00 0.00 H new ATOM 0 HA ILE A 309 0.004 -1.303 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.972 -1.816 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.142 -1.978 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.797 -3.091 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.136 -0.872 2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.905 0.395 2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.161 0.152 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.819 -4.021 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.569 -3.747 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.935 -2.616 2.154 1.00 0.00 H new ATOM 248 N CYS A 310 -1.306 -0.596 -2.101 1.00 0.00 N ATOM 249 CA CYS A 310 -2.055 -0.210 -3.286 1.00 0.00 C ATOM 250 C CYS A 310 -3.300 -1.072 -3.467 1.00 0.00 C ATOM 251 O CYS A 310 -3.261 -2.289 -3.278 1.00 0.00 O ATOM 252 CB CYS A 310 -1.165 -0.309 -4.520 1.00 0.00 C ATOM 253 SG CYS A 310 -2.070 -0.429 -6.082 1.00 0.00 S ATOM 0 H CYS A 310 -0.533 -1.237 -2.280 1.00 0.00 H new ATOM 0 HA CYS A 310 -2.381 0.822 -3.156 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.515 0.565 -4.556 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -0.520 -1.182 -4.419 1.00 0.00 H new ATOM 0 HG CYS A 310 -3.142 -1.144 -5.909 1.00 0.00 H new ATOM 259 N CYS A 311 -4.405 -0.428 -3.840 1.00 0.00 N ATOM 260 CA CYS A 311 -5.667 -1.126 -4.056 1.00 0.00 C ATOM 261 C CYS A 311 -5.606 -1.980 -5.315 1.00 0.00 C ATOM 262 O CYS A 311 -4.938 -1.621 -6.286 1.00 0.00 O ATOM 263 CB CYS A 311 -6.822 -0.124 -4.164 1.00 0.00 C ATOM 264 SG CYS A 311 -8.422 -0.885 -4.604 1.00 0.00 S ATOM 0 H CYS A 311 -4.449 0.579 -3.999 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.841 -1.779 -3.200 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.928 0.397 -3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -6.570 0.627 -4.913 1.00 0.00 H new ATOM 269 N ASP A 312 -6.299 -3.113 -5.289 1.00 0.00 N ATOM 270 CA ASP A 312 -6.333 -4.014 -6.433 1.00 0.00 C ATOM 271 C ASP A 312 -7.319 -3.501 -7.477 1.00 0.00 C ATOM 272 O ASP A 312 -8.326 -4.146 -7.772 1.00 0.00 O ATOM 273 CB ASP A 312 -6.716 -5.427 -5.987 1.00 0.00 C ATOM 274 CG ASP A 312 -6.626 -6.437 -7.115 1.00 0.00 C ATOM 275 OD1 ASP A 312 -5.505 -6.906 -7.404 1.00 0.00 O ATOM 276 OD2 ASP A 312 -7.677 -6.758 -7.710 1.00 0.00 O ATOM 0 H ASP A 312 -6.845 -3.429 -4.487 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.339 -4.050 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -6.061 -5.737 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.732 -5.417 -5.593 1.00 0.00 H new ATOM 281 N GLY A 313 -7.019 -2.329 -8.026 1.00 0.00 N ATOM 282 CA GLY A 313 -7.880 -1.730 -9.026 1.00 0.00 C ATOM 283 C GLY A 313 -7.695 -0.228 -9.117 1.00 0.00 C ATOM 284 O GLY A 313 -7.926 0.369 -10.169 1.00 0.00 O ATOM 0 H GLY A 313 -6.190 -1.782 -7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -7.673 -2.179 -9.997 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -8.920 -1.952 -8.787 1.00 0.00 H new ATOM 288 N CYS A 314 -7.273 0.386 -8.012 1.00 0.00 N ATOM 289 CA CYS A 314 -7.057 1.828 -7.977 1.00 0.00 C ATOM 290 C CYS A 314 -5.569 2.163 -7.906 1.00 0.00 C ATOM 291 O CYS A 314 -4.766 1.369 -7.416 1.00 0.00 O ATOM 292 CB CYS A 314 -7.791 2.460 -6.794 1.00 0.00 C ATOM 293 SG CYS A 314 -9.570 2.074 -6.733 1.00 0.00 S ATOM 0 H CYS A 314 -7.075 -0.093 -7.133 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.459 2.241 -8.902 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -7.325 2.123 -5.868 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -7.666 3.542 -6.838 1.00 0.00 H new ATOM 298 N PRO A 315 -5.191 3.362 -8.380 1.00 0.00 N ATOM 299 CA PRO A 315 -3.806 3.820 -8.395 1.00 0.00 C ATOM 300 C PRO A 315 -3.387 4.458 -7.077 1.00 0.00 C ATOM 301 O PRO A 315 -2.452 5.260 -7.036 1.00 0.00 O ATOM 302 CB PRO A 315 -3.789 4.880 -9.507 1.00 0.00 C ATOM 303 CG PRO A 315 -5.213 5.066 -9.946 1.00 0.00 C ATOM 304 CD PRO A 315 -6.082 4.380 -8.930 1.00 0.00 C ATOM 0 HA PRO A 315 -3.115 2.992 -8.553 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.371 5.818 -9.142 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.166 4.557 -10.341 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.460 6.125 -10.012 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -5.369 4.640 -10.937 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.430 5.071 -8.162 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.968 3.939 -9.387 1.00 0.00 H new ATOM 312 N ARG A 316 -4.073 4.096 -6.002 1.00 0.00 N ATOM 313 CA ARG A 316 -3.772 4.661 -4.693 1.00 0.00 C ATOM 314 C ARG A 316 -3.072 3.665 -3.784 1.00 0.00 C ATOM 315 O ARG A 316 -3.082 2.463 -4.031 1.00 0.00 O ATOM 316 CB ARG A 316 -5.048 5.155 -4.018 1.00 0.00 C ATOM 317 CG ARG A 316 -5.543 6.482 -4.555 1.00 0.00 C ATOM 318 CD ARG A 316 -6.806 6.920 -3.839 1.00 0.00 C ATOM 319 NE ARG A 316 -7.036 8.357 -3.969 1.00 0.00 N ATOM 320 CZ ARG A 316 -8.198 8.893 -4.331 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.239 8.115 -4.599 1.00 0.00 N ATOM 322 NH2 ARG A 316 -8.319 10.210 -4.428 1.00 0.00 N ATOM 0 H ARG A 316 -4.836 3.419 -6.009 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.094 5.499 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.830 4.406 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.869 5.250 -2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -4.769 7.240 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.738 6.396 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.660 6.378 -4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -6.734 6.658 -2.783 1.00 0.00 H new ATOM 0 HE ARG A 316 -6.259 8.987 -3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.150 7.101 -4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.128 8.531 -4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -7.521 10.812 -4.225 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -9.210 10.621 -4.706 1.00 0.00 H new ATOM 336 N ALA A 317 -2.467 4.199 -2.729 1.00 0.00 N ATOM 337 CA ALA A 317 -1.753 3.405 -1.739 1.00 0.00 C ATOM 338 C ALA A 317 -2.057 3.960 -0.340 1.00 0.00 C ATOM 339 O ALA A 317 -2.247 5.167 -0.188 1.00 0.00 O ATOM 340 CB ALA A 317 -0.264 3.439 -2.036 1.00 0.00 C ATOM 0 H ALA A 317 -2.459 5.201 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.080 2.366 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.269 2.844 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.082 3.028 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 317 0.091 4.469 -1.998 1.00 0.00 H new ATOM 346 N PHE A 318 -2.110 3.100 0.680 1.00 0.00 N ATOM 347 CA PHE A 318 -2.439 3.561 2.038 1.00 0.00 C ATOM 348 C PHE A 318 -1.402 3.137 3.087 1.00 0.00 C ATOM 349 O PHE A 318 -0.762 2.100 2.965 1.00 0.00 O ATOM 350 CB PHE A 318 -3.824 3.036 2.432 1.00 0.00 C ATOM 351 CG PHE A 318 -4.954 3.685 1.689 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.128 3.448 0.345 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.844 4.519 2.342 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.168 4.029 -0.346 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.890 5.108 1.658 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.052 4.862 0.310 1.00 0.00 C ATOM 0 H PHE A 318 -1.934 2.099 0.599 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.434 4.651 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.857 1.961 2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.969 3.190 3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.440 2.798 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.720 4.712 3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.292 3.833 -1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.578 5.759 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.868 5.320 -0.230 1.00 0.00 H new ATOM 366 N HIS A 319 -1.265 3.951 4.135 1.00 0.00 N ATOM 367 CA HIS A 319 -0.311 3.679 5.219 1.00 0.00 C ATOM 368 C HIS A 319 -0.845 2.650 6.206 1.00 0.00 C ATOM 369 O HIS A 319 -0.580 2.753 7.403 1.00 0.00 O ATOM 370 CB HIS A 319 -0.016 4.954 5.997 1.00 0.00 C ATOM 371 CG HIS A 319 1.158 5.729 5.520 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.081 7.070 5.240 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.441 5.365 5.306 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.273 7.507 4.874 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.117 6.490 4.907 1.00 0.00 N ATOM 0 H HIS A 319 -1.804 4.808 4.259 1.00 0.00 H new ATOM 0 HA HIS A 319 0.592 3.291 4.747 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.896 5.596 5.957 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.142 4.694 7.044 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.856 4.375 5.426 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.516 8.522 4.595 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.109 6.535 4.674 1.00 0.00 H new ATOM 383 N LEU A 320 -1.596 1.672 5.719 1.00 0.00 N ATOM 384 CA LEU A 320 -2.153 0.642 6.588 1.00 0.00 C ATOM 385 C LEU A 320 -3.130 1.249 7.584 1.00 0.00 C ATOM 386 O LEU A 320 -4.345 1.176 7.407 1.00 0.00 O ATOM 387 CB LEU A 320 -1.037 -0.075 7.348 1.00 0.00 C ATOM 388 CG LEU A 320 0.054 -0.720 6.491 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.448 -2.051 7.078 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.411 -0.898 5.060 1.00 0.00 C ATOM 0 H LEU A 320 -1.833 1.569 4.732 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.683 -0.075 5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.566 0.641 8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.487 -0.849 7.970 1.00 0.00 H new ATOM 0 HG LEU A 320 0.920 -0.059 6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.225 -2.504 6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.826 -1.905 8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.421 -2.708 7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.384 -1.358 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.293 -1.538 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.659 0.074 4.634 1.00 0.00 H new ATOM 402 N ALA A 321 -2.581 1.846 8.635 1.00 0.00 N ATOM 403 CA ALA A 321 -3.381 2.477 9.668 1.00 0.00 C ATOM 404 C ALA A 321 -4.012 3.765 9.161 1.00 0.00 C ATOM 405 O ALA A 321 -4.913 4.317 9.794 1.00 0.00 O ATOM 406 CB ALA A 321 -2.526 2.735 10.893 1.00 0.00 C ATOM 0 H ALA A 321 -1.575 1.904 8.791 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.192 1.803 9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.131 3.209 11.666 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.133 1.790 11.268 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.698 3.392 10.627 1.00 0.00 H new ATOM 412 N CYS A 322 -3.535 4.243 8.015 1.00 0.00 N ATOM 413 CA CYS A 322 -4.085 5.462 7.417 1.00 0.00 C ATOM 414 C CYS A 322 -5.428 5.153 6.777 1.00 0.00 C ATOM 415 O CYS A 322 -6.084 6.026 6.208 1.00 0.00 O ATOM 416 CB CYS A 322 -3.136 6.044 6.368 1.00 0.00 C ATOM 417 SG CYS A 322 -2.010 7.339 7.011 1.00 0.00 S ATOM 0 H CYS A 322 -2.777 3.813 7.485 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.212 6.202 8.207 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.539 5.236 5.946 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.726 6.463 5.553 1.00 0.00 H new ATOM 422 N LEU A 323 -5.823 3.891 6.882 1.00 0.00 N ATOM 423 CA LEU A 323 -7.082 3.420 6.320 1.00 0.00 C ATOM 424 C LEU A 323 -8.215 3.542 7.321 1.00 0.00 C ATOM 425 O LEU A 323 -7.973 3.709 8.517 1.00 0.00 O ATOM 426 CB LEU A 323 -6.944 1.954 5.926 1.00 0.00 C ATOM 427 CG LEU A 323 -6.388 1.707 4.547 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.768 0.324 4.475 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.494 1.860 3.529 1.00 0.00 C ATOM 0 H LEU A 323 -5.283 3.168 7.357 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.311 4.036 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.301 1.458 6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.924 1.483 5.994 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.607 2.436 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.369 0.156 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.962 0.248 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.527 -0.427 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.096 1.682 2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.284 1.139 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.901 2.870 3.583 1.00 0.00 H new ATOM 441 N SER A 324 -9.457 3.468 6.838 1.00 0.00 N ATOM 442 CA SER A 324 -10.588 3.518 7.749 1.00 0.00 C ATOM 443 C SER A 324 -10.409 2.375 8.743 1.00 0.00 C ATOM 444 O SER A 324 -10.409 2.601 9.953 1.00 0.00 O ATOM 445 CB SER A 324 -11.931 3.444 7.010 1.00 0.00 C ATOM 446 OG SER A 324 -12.169 4.628 6.269 1.00 0.00 O ATOM 0 H SER A 324 -9.696 3.376 5.851 1.00 0.00 H new ATOM 0 HA SER A 324 -10.612 4.473 8.273 1.00 0.00 H new ATOM 0 HB2 SER A 324 -11.934 2.584 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.737 3.292 7.728 1.00 0.00 H new ATOM 0 HG SER A 324 -13.030 4.556 5.806 1.00 0.00 H new ATOM 452 N PRO A 325 -10.256 1.120 8.251 1.00 0.00 N ATOM 453 CA PRO A 325 -9.980 -0.024 9.081 1.00 0.00 C ATOM 454 C PRO A 325 -8.524 -0.432 8.915 1.00 0.00 C ATOM 455 O PRO A 325 -8.156 -1.111 7.956 1.00 0.00 O ATOM 456 CB PRO A 325 -10.899 -1.073 8.513 1.00 0.00 C ATOM 457 CG PRO A 325 -11.129 -0.668 7.077 1.00 0.00 C ATOM 458 CD PRO A 325 -10.417 0.655 6.871 1.00 0.00 C ATOM 0 HA PRO A 325 -10.136 0.147 10.146 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.450 -2.064 8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.838 -1.114 9.065 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.741 -1.425 6.396 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -12.195 -0.569 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.459 0.531 6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.006 1.348 6.271 1.00 0.00 H new ATOM 466 N PRO A 326 -7.691 -0.017 9.859 1.00 0.00 N ATOM 467 CA PRO A 326 -6.252 -0.264 9.832 1.00 0.00 C ATOM 468 C PRO A 326 -5.871 -1.704 9.602 1.00 0.00 C ATOM 469 O PRO A 326 -6.499 -2.633 10.109 1.00 0.00 O ATOM 470 CB PRO A 326 -5.768 0.199 11.186 1.00 0.00 C ATOM 471 CG PRO A 326 -6.807 1.144 11.667 1.00 0.00 C ATOM 472 CD PRO A 326 -8.109 0.702 11.057 1.00 0.00 C ATOM 0 HA PRO A 326 -5.798 0.264 8.993 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -5.652 -0.641 11.871 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -4.796 0.687 11.111 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.866 1.133 12.755 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.568 2.165 11.371 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.674 0.061 11.734 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.748 1.551 10.814 1.00 0.00 H new ATOM 480 N LEU A 327 -4.822 -1.859 8.818 1.00 0.00 N ATOM 481 CA LEU A 327 -4.293 -3.166 8.483 1.00 0.00 C ATOM 482 C LEU A 327 -3.222 -3.600 9.474 1.00 0.00 C ATOM 483 O LEU A 327 -2.027 -3.482 9.199 1.00 0.00 O ATOM 484 CB LEU A 327 -3.715 -3.139 7.076 1.00 0.00 C ATOM 485 CG LEU A 327 -4.609 -2.477 6.047 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.882 -2.309 4.740 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.864 -3.292 5.853 1.00 0.00 C ATOM 0 H LEU A 327 -4.313 -1.083 8.396 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.109 -3.887 8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.758 -2.617 7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.512 -4.162 6.759 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.885 -1.487 6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.542 -1.832 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -3.000 -1.687 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.577 -3.286 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.501 -2.809 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.599 -4.291 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.400 -3.365 6.799 1.00 0.00 H new ATOM 499 N ARG A 328 -3.654 -4.090 10.635 1.00 0.00 N ATOM 500 CA ARG A 328 -2.723 -4.569 11.655 1.00 0.00 C ATOM 501 C ARG A 328 -1.739 -5.539 11.021 1.00 0.00 C ATOM 502 O ARG A 328 -0.637 -5.763 11.521 1.00 0.00 O ATOM 503 CB ARG A 328 -3.487 -5.282 12.767 1.00 0.00 C ATOM 504 CG ARG A 328 -2.598 -5.825 13.862 1.00 0.00 C ATOM 505 CD ARG A 328 -3.387 -6.648 14.869 1.00 0.00 C ATOM 506 NE ARG A 328 -2.516 -7.301 15.844 1.00 0.00 N ATOM 507 CZ ARG A 328 -2.686 -8.552 16.262 1.00 0.00 C ATOM 508 NH1 ARG A 328 -3.687 -9.284 15.793 1.00 0.00 N ATOM 509 NH2 ARG A 328 -1.850 -9.075 17.150 1.00 0.00 N ATOM 0 H ARG A 328 -4.638 -4.166 10.892 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.187 -3.719 12.077 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.206 -4.589 13.205 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -4.059 -6.103 12.334 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -1.814 -6.441 13.422 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -2.105 -4.999 14.374 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -4.095 -6.003 15.390 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -3.971 -7.402 14.342 1.00 0.00 H new ATOM 0 HE ARG A 328 -1.734 -6.768 16.225 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -4.331 -8.888 15.108 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -3.813 -10.243 16.117 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -1.077 -8.517 17.512 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -1.981 -10.035 17.470 1.00 0.00 H new ATOM 523 N GLU A 329 -2.171 -6.100 9.903 1.00 0.00 N ATOM 524 CA GLU A 329 -1.383 -7.052 9.141 1.00 0.00 C ATOM 525 C GLU A 329 -1.907 -7.099 7.715 1.00 0.00 C ATOM 526 O GLU A 329 -3.035 -7.530 7.471 1.00 0.00 O ATOM 527 CB GLU A 329 -1.440 -8.440 9.782 1.00 0.00 C ATOM 528 CG GLU A 329 -2.840 -8.866 10.180 1.00 0.00 C ATOM 529 CD GLU A 329 -2.865 -10.211 10.879 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.689 -10.241 12.116 1.00 0.00 O ATOM 531 OE2 GLU A 329 -3.058 -11.235 10.191 1.00 0.00 O ATOM 0 H GLU A 329 -3.086 -5.905 9.497 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.341 -6.734 9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -1.031 -9.171 9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.801 -8.450 10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.272 -8.111 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.468 -8.912 9.290 1.00 0.00 H new ATOM 538 N ILE A 330 -1.084 -6.635 6.786 1.00 0.00 N ATOM 539 CA ILE A 330 -1.448 -6.579 5.380 1.00 0.00 C ATOM 540 C ILE A 330 -2.281 -7.781 4.928 1.00 0.00 C ATOM 541 O ILE A 330 -1.969 -8.928 5.245 1.00 0.00 O ATOM 542 CB ILE A 330 -0.193 -6.421 4.495 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.378 -5.014 4.686 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.517 -6.672 3.027 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.645 -3.931 4.474 1.00 0.00 C ATOM 0 H ILE A 330 -0.146 -6.287 6.987 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.081 -5.700 5.260 1.00 0.00 H new ATOM 0 HB ILE A 330 0.548 -7.162 4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.787 -4.927 5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.205 -4.866 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.387 -6.553 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.901 -7.685 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.269 -5.957 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -0.180 -2.957 4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -1.037 -3.994 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.461 -4.057 5.186 1.00 0.00 H new ATOM 557 N PRO A 331 -3.365 -7.496 4.175 1.00 0.00 N ATOM 558 CA PRO A 331 -4.292 -8.508 3.654 1.00 0.00 C ATOM 559 C PRO A 331 -3.587 -9.746 3.114 1.00 0.00 C ATOM 560 O PRO A 331 -2.468 -9.661 2.606 1.00 0.00 O ATOM 561 CB PRO A 331 -4.993 -7.763 2.526 1.00 0.00 C ATOM 562 CG PRO A 331 -5.028 -6.353 2.994 1.00 0.00 C ATOM 563 CD PRO A 331 -3.764 -6.136 3.764 1.00 0.00 C ATOM 0 HA PRO A 331 -4.956 -8.891 4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.449 -7.858 1.586 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.997 -8.152 2.354 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -5.093 -5.665 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.901 -6.173 3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.998 -5.663 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.927 -5.489 4.626 1.00 0.00 H new ATOM 571 N SER A 332 -4.255 -10.892 3.217 1.00 0.00 N ATOM 572 CA SER A 332 -3.693 -12.151 2.742 1.00 0.00 C ATOM 573 C SER A 332 -3.433 -12.105 1.239 1.00 0.00 C ATOM 574 O SER A 332 -2.292 -11.949 0.802 1.00 0.00 O ATOM 575 CB SER A 332 -4.626 -13.309 3.080 1.00 0.00 C ATOM 576 OG SER A 332 -4.282 -14.474 2.351 1.00 0.00 O ATOM 0 H SER A 332 -5.186 -10.974 3.625 1.00 0.00 H new ATOM 0 HA SER A 332 -2.739 -12.306 3.247 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.578 -13.518 4.149 1.00 0.00 H new ATOM 0 HB3 SER A 332 -5.655 -13.028 2.856 1.00 0.00 H new ATOM 0 HG SER A 332 -4.895 -15.201 2.588 1.00 0.00 H new ATOM 582 N GLY A 333 -4.499 -12.242 0.455 1.00 0.00 N ATOM 583 CA GLY A 333 -4.367 -12.210 -0.991 1.00 0.00 C ATOM 584 C GLY A 333 -4.534 -10.812 -1.553 1.00 0.00 C ATOM 585 O GLY A 333 -3.644 -9.972 -1.419 1.00 0.00 O ATOM 0 H GLY A 333 -5.451 -12.375 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -3.388 -12.598 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -5.112 -12.870 -1.436 1.00 0.00 H new ATOM 589 N THR A 334 -5.677 -10.563 -2.184 1.00 0.00 N ATOM 590 CA THR A 334 -5.959 -9.255 -2.761 1.00 0.00 C ATOM 591 C THR A 334 -6.457 -8.289 -1.692 1.00 0.00 C ATOM 592 O THR A 334 -6.560 -8.650 -0.520 1.00 0.00 O ATOM 593 CB THR A 334 -7.005 -9.346 -3.887 1.00 0.00 C ATOM 594 OG1 THR A 334 -8.233 -9.876 -3.375 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.501 -10.226 -5.021 1.00 0.00 C ATOM 0 H THR A 334 -6.421 -11.249 -2.308 1.00 0.00 H new ATOM 0 HA THR A 334 -5.025 -8.883 -3.182 1.00 0.00 H new ATOM 0 HB THR A 334 -7.178 -8.342 -4.275 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.846 -9.140 -3.168 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.256 -10.276 -5.806 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.582 -9.804 -5.428 1.00 0.00 H new ATOM 0 HG23 THR A 334 -6.303 -11.229 -4.643 1.00 0.00 H new ATOM 603 N TRP A 335 -6.764 -7.062 -2.099 1.00 0.00 N ATOM 604 CA TRP A 335 -7.246 -6.051 -1.164 1.00 0.00 C ATOM 605 C TRP A 335 -7.976 -4.925 -1.887 1.00 0.00 C ATOM 606 O TRP A 335 -7.634 -4.572 -3.016 1.00 0.00 O ATOM 607 CB TRP A 335 -6.079 -5.471 -0.368 1.00 0.00 C ATOM 608 CG TRP A 335 -6.475 -4.347 0.539 1.00 0.00 C ATOM 609 CD1 TRP A 335 -7.112 -4.445 1.744 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.258 -2.954 0.311 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.288 -3.195 2.283 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.777 -2.265 1.418 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.671 -2.222 -0.724 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.722 -0.883 1.524 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.620 -0.845 -0.619 1.00 0.00 C ATOM 616 CH2 TRP A 335 -6.144 -0.188 0.499 1.00 0.00 C ATOM 0 H TRP A 335 -6.688 -6.744 -3.065 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.948 -6.537 -0.486 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.625 -6.264 0.226 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.317 -5.116 -1.062 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.430 -5.369 2.204 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.727 -2.992 3.181 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.265 -2.723 -1.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -7.123 -0.373 2.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -5.169 -0.267 -1.412 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -6.091 0.889 0.553 1.00 0.00 H new ATOM 627 N ARG A 336 -8.983 -4.369 -1.224 1.00 0.00 N ATOM 628 CA ARG A 336 -9.763 -3.279 -1.782 1.00 0.00 C ATOM 629 C ARG A 336 -9.671 -2.033 -0.906 1.00 0.00 C ATOM 630 O ARG A 336 -9.594 -2.129 0.318 1.00 0.00 O ATOM 631 CB ARG A 336 -11.214 -3.713 -1.902 1.00 0.00 C ATOM 632 CG ARG A 336 -11.413 -4.880 -2.844 1.00 0.00 C ATOM 633 CD ARG A 336 -12.772 -4.808 -3.480 1.00 0.00 C ATOM 634 NE ARG A 336 -13.149 -6.060 -4.133 1.00 0.00 N ATOM 635 CZ ARG A 336 -13.745 -6.120 -5.321 1.00 0.00 C ATOM 636 NH1 ARG A 336 -14.047 -5.005 -5.974 1.00 0.00 N ATOM 637 NH2 ARG A 336 -14.042 -7.296 -5.856 1.00 0.00 N ATOM 0 H ARG A 336 -9.278 -4.660 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 336 -9.363 -3.033 -2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.588 -3.984 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.811 -2.869 -2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -10.642 -4.870 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -11.308 -5.818 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -13.513 -4.560 -2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -12.785 -4.001 -4.213 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.944 -6.936 -3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -13.822 -4.098 -5.565 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -14.504 -5.055 -6.885 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -13.814 -8.156 -5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -14.499 -7.341 -6.767 1.00 0.00 H new ATOM 651 N CYS A 337 -9.685 -0.866 -1.542 1.00 0.00 N ATOM 652 CA CYS A 337 -9.616 0.396 -0.811 1.00 0.00 C ATOM 653 C CYS A 337 -10.985 0.730 -0.234 1.00 0.00 C ATOM 654 O CYS A 337 -11.991 0.213 -0.707 1.00 0.00 O ATOM 655 CB CYS A 337 -9.132 1.527 -1.723 1.00 0.00 C ATOM 656 SG CYS A 337 -10.322 2.022 -3.011 1.00 0.00 S ATOM 0 H CYS A 337 -9.743 -0.767 -2.556 1.00 0.00 H new ATOM 0 HA CYS A 337 -8.900 0.290 0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.898 2.397 -1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -8.204 1.217 -2.204 1.00 0.00 H new ATOM 661 N SER A 338 -11.019 1.588 0.785 1.00 0.00 N ATOM 662 CA SER A 338 -12.276 1.975 1.431 1.00 0.00 C ATOM 663 C SER A 338 -13.422 2.105 0.427 1.00 0.00 C ATOM 664 O SER A 338 -14.534 1.643 0.686 1.00 0.00 O ATOM 665 CB SER A 338 -12.102 3.290 2.187 1.00 0.00 C ATOM 666 OG SER A 338 -11.022 3.214 3.102 1.00 0.00 O ATOM 0 H SER A 338 -10.190 2.030 1.183 1.00 0.00 H new ATOM 0 HA SER A 338 -12.535 1.181 2.132 1.00 0.00 H new ATOM 0 HB2 SER A 338 -11.926 4.100 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 338 -13.021 3.529 2.723 1.00 0.00 H new ATOM 0 HG SER A 338 -10.931 4.069 3.572 1.00 0.00 H new ATOM 672 N SER A 339 -13.153 2.736 -0.712 1.00 0.00 N ATOM 673 CA SER A 339 -14.169 2.915 -1.741 1.00 0.00 C ATOM 674 C SER A 339 -14.635 1.571 -2.301 1.00 0.00 C ATOM 675 O SER A 339 -15.834 1.283 -2.343 1.00 0.00 O ATOM 676 CB SER A 339 -13.621 3.788 -2.860 1.00 0.00 C ATOM 677 OG SER A 339 -14.577 3.965 -3.891 1.00 0.00 O ATOM 0 H SER A 339 -12.242 3.131 -0.944 1.00 0.00 H new ATOM 0 HA SER A 339 -15.031 3.405 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 339 -13.333 4.759 -2.458 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.720 3.333 -3.271 1.00 0.00 H new ATOM 0 HG SER A 339 -14.198 4.531 -4.595 1.00 0.00 H new ATOM 683 N CYS A 340 -13.681 0.747 -2.721 1.00 0.00 N ATOM 684 CA CYS A 340 -13.982 -0.558 -3.275 1.00 0.00 C ATOM 685 C CYS A 340 -14.558 -1.466 -2.199 1.00 0.00 C ATOM 686 O CYS A 340 -15.138 -2.511 -2.490 1.00 0.00 O ATOM 687 CB CYS A 340 -12.716 -1.181 -3.863 1.00 0.00 C ATOM 688 SG CYS A 340 -12.095 -0.350 -5.359 1.00 0.00 S ATOM 0 H CYS A 340 -12.686 0.967 -2.685 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.721 -0.441 -4.068 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.934 -1.169 -3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.916 -2.226 -4.099 1.00 0.00 H new ATOM 693 N LEU A 341 -14.386 -1.046 -0.955 1.00 0.00 N ATOM 694 CA LEU A 341 -14.864 -1.793 0.193 1.00 0.00 C ATOM 695 C LEU A 341 -16.342 -1.544 0.442 1.00 0.00 C ATOM 696 O LEU A 341 -17.120 -2.483 0.615 1.00 0.00 O ATOM 697 CB LEU A 341 -14.037 -1.415 1.412 1.00 0.00 C ATOM 698 CG LEU A 341 -12.616 -1.966 1.396 1.00 0.00 C ATOM 699 CD1 LEU A 341 -11.770 -1.327 2.476 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.652 -3.471 1.549 1.00 0.00 C ATOM 0 H LEU A 341 -13.910 -0.176 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.750 -2.858 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -13.993 -0.328 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.544 -1.774 2.307 1.00 0.00 H new ATOM 0 HG LEU A 341 -12.155 -1.721 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -10.762 -1.740 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.727 -0.250 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -12.211 -1.531 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.635 -3.862 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -13.129 -3.729 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.218 -3.907 0.726 1.00 0.00 H new ATOM 712 N GLN A 342 -16.724 -0.278 0.460 1.00 0.00 N ATOM 713 CA GLN A 342 -18.118 0.088 0.673 1.00 0.00 C ATOM 714 C GLN A 342 -18.981 -0.472 -0.452 1.00 0.00 C ATOM 715 O GLN A 342 -20.163 -0.758 -0.261 1.00 0.00 O ATOM 716 CB GLN A 342 -18.276 1.603 0.768 1.00 0.00 C ATOM 717 CG GLN A 342 -18.025 2.311 -0.542 1.00 0.00 C ATOM 718 CD GLN A 342 -19.252 3.031 -1.067 1.00 0.00 C ATOM 719 OE1 GLN A 342 -20.047 2.463 -1.816 1.00 0.00 O ATOM 720 NE2 GLN A 342 -19.413 4.290 -0.675 1.00 0.00 N ATOM 0 H GLN A 342 -16.093 0.513 0.330 1.00 0.00 H new ATOM 0 HA GLN A 342 -18.448 -0.342 1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 342 -19.284 1.836 1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 342 -17.586 1.987 1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 342 -17.216 3.030 -0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 342 -17.691 1.585 -1.283 1.00 0.00 H new ATOM 0 HE21 GLN A 342 -18.729 4.722 -0.053 1.00 0.00 H new ATOM 0 HE22 GLN A 342 -20.220 4.825 -0.996 1.00 0.00 H new ATOM 729 N ALA A 343 -18.375 -0.623 -1.628 1.00 0.00 N ATOM 730 CA ALA A 343 -19.072 -1.171 -2.785 1.00 0.00 C ATOM 731 C ALA A 343 -19.088 -2.695 -2.724 1.00 0.00 C ATOM 732 O ALA A 343 -20.106 -3.331 -2.998 1.00 0.00 O ATOM 733 CB ALA A 343 -18.410 -0.696 -4.072 1.00 0.00 C ATOM 0 H ALA A 343 -17.402 -0.373 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 343 -20.102 -0.815 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 343 -18.940 -1.112 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 343 -18.444 0.392 -4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 343 -17.372 -1.028 -4.091 1.00 0.00 H new ATOM 739 N THR A 344 -17.945 -3.271 -2.360 1.00 0.00 N ATOM 740 CA THR A 344 -17.805 -4.720 -2.246 1.00 0.00 C ATOM 741 C THR A 344 -16.924 -5.077 -1.052 1.00 0.00 C ATOM 742 O THR A 344 -15.918 -4.419 -0.797 1.00 0.00 O ATOM 743 CB THR A 344 -17.197 -5.334 -3.521 1.00 0.00 C ATOM 744 OG1 THR A 344 -15.902 -4.772 -3.767 1.00 0.00 O ATOM 745 CG2 THR A 344 -18.099 -5.092 -4.723 1.00 0.00 C ATOM 0 H THR A 344 -17.096 -2.751 -2.137 1.00 0.00 H new ATOM 0 HA THR A 344 -18.805 -5.131 -2.105 1.00 0.00 H new ATOM 0 HB THR A 344 -17.102 -6.409 -3.370 1.00 0.00 H new ATOM 0 HG1 THR A 344 -15.726 -4.059 -3.118 1.00 0.00 H new ATOM 0 HG21 THR A 344 -17.648 -5.535 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A 344 -19.073 -5.548 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 344 -18.223 -4.020 -4.875 1.00 0.00 H new ATOM 753 N VAL A 345 -17.305 -6.127 -0.329 1.00 0.00 N ATOM 754 CA VAL A 345 -16.568 -6.566 0.840 1.00 0.00 C ATOM 755 C VAL A 345 -15.076 -6.732 0.553 1.00 0.00 C ATOM 756 O VAL A 345 -14.661 -6.841 -0.601 1.00 0.00 O ATOM 757 CB VAL A 345 -17.144 -7.886 1.360 1.00 0.00 C ATOM 758 CG1 VAL A 345 -18.610 -7.714 1.728 1.00 0.00 C ATOM 759 CG2 VAL A 345 -16.969 -8.992 0.328 1.00 0.00 C ATOM 0 H VAL A 345 -18.129 -6.691 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 345 -16.674 -5.791 1.599 1.00 0.00 H new ATOM 0 HB VAL A 345 -16.597 -8.174 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 345 -19.006 -8.660 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 345 -18.704 -6.955 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 345 -19.172 -7.403 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 345 -17.385 -9.922 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 345 -17.488 -8.718 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 345 -15.908 -9.129 0.118 1.00 0.00 H new ATOM 769 N GLN A 346 -14.276 -6.753 1.618 1.00 0.00 N ATOM 770 CA GLN A 346 -12.827 -6.889 1.494 1.00 0.00 C ATOM 771 C GLN A 346 -12.442 -8.202 0.817 1.00 0.00 C ATOM 772 O GLN A 346 -13.299 -9.033 0.514 1.00 0.00 O ATOM 773 CB GLN A 346 -12.167 -6.799 2.873 1.00 0.00 C ATOM 774 CG GLN A 346 -12.493 -7.970 3.786 1.00 0.00 C ATOM 775 CD GLN A 346 -11.954 -7.782 5.193 1.00 0.00 C ATOM 776 OE1 GLN A 346 -12.537 -8.269 6.162 1.00 0.00 O ATOM 777 NE2 GLN A 346 -10.835 -7.076 5.312 1.00 0.00 N ATOM 0 H GLN A 346 -14.609 -6.677 2.579 1.00 0.00 H new ATOM 0 HA GLN A 346 -12.470 -6.071 0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 346 -11.086 -6.740 2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 346 -12.482 -5.874 3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 346 -13.574 -8.102 3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 346 -12.078 -8.884 3.361 1.00 0.00 H new ATOM 0 HE21 GLN A 346 -10.385 -6.690 4.482 1.00 0.00 H new ATOM 0 HE22 GLN A 346 -10.426 -6.920 6.233 1.00 0.00 H new ATOM 786 N GLU A 347 -11.143 -8.375 0.587 1.00 0.00 N ATOM 787 CA GLU A 347 -10.622 -9.579 -0.055 1.00 0.00 C ATOM 788 C GLU A 347 -11.303 -9.819 -1.399 1.00 0.00 C ATOM 789 O GLU A 347 -10.859 -9.220 -2.401 1.00 0.00 O ATOM 790 CB GLU A 347 -10.810 -10.794 0.856 1.00 0.00 C ATOM 791 CG GLU A 347 -10.107 -10.664 2.198 1.00 0.00 C ATOM 792 CD GLU A 347 -8.608 -10.487 2.055 1.00 0.00 C ATOM 793 OE1 GLU A 347 -7.901 -11.507 1.916 1.00 0.00 O ATOM 794 OE2 GLU A 347 -8.142 -9.328 2.082 1.00 0.00 O ATOM 795 OXT GLU A 347 -12.275 -10.602 -1.440 1.00 0.00 O ATOM 0 H GLU A 347 -10.428 -7.692 0.837 1.00 0.00 H new ATOM 0 HA GLU A 347 -9.556 -9.433 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 347 -11.875 -10.948 1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 347 -10.438 -11.682 0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 347 -10.520 -9.813 2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 347 -10.309 -11.552 2.798 1.00 0.00 H new TER 802 GLU A 347 ATOM 803 N ALA B 1 -1.779 -8.295 0.273 1.00 0.00 N ATOM 804 CA ALA B 1 -2.029 -7.156 -0.650 1.00 0.00 C ATOM 805 C ALA B 1 -0.724 -6.526 -1.124 1.00 0.00 C ATOM 806 O ALA B 1 0.280 -6.541 -0.412 1.00 0.00 O ATOM 807 CB ALA B 1 -2.906 -6.112 0.024 1.00 0.00 C ATOM 0 H1 ALA B 1 -2.216 -9.156 -0.112 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.754 -8.442 0.373 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.191 -8.084 1.204 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.549 -7.544 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -3.080 -5.284 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.860 -6.561 0.300 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.407 -5.741 0.919 1.00 0.00 H new ATOM 815 N ARG B 2 -0.749 -5.972 -2.335 1.00 0.00 N ATOM 816 CA ARG B 2 0.429 -5.337 -2.917 1.00 0.00 C ATOM 817 C ARG B 2 0.750 -4.025 -2.210 1.00 0.00 C ATOM 818 O ARG B 2 0.253 -2.968 -2.597 1.00 0.00 O ATOM 819 CB ARG B 2 0.209 -5.072 -4.409 1.00 0.00 C ATOM 820 CG ARG B 2 -0.092 -6.328 -5.212 1.00 0.00 C ATOM 821 CD ARG B 2 -0.420 -5.997 -6.659 1.00 0.00 C ATOM 822 NE ARG B 2 -0.602 -7.200 -7.469 1.00 0.00 N ATOM 823 CZ ARG B 2 -1.687 -7.443 -8.198 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.694 -6.579 -8.206 1.00 0.00 N ATOM 825 NH2 ARG B 2 -1.769 -8.553 -8.918 1.00 0.00 N ATOM 0 H ARG B 2 -1.575 -5.951 -2.933 1.00 0.00 H new ATOM 0 HA ARG B 2 1.271 -6.018 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -0.616 -4.369 -4.527 1.00 0.00 H new ATOM 0 HB3 ARG B 2 1.098 -4.593 -4.819 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.767 -6.999 -5.176 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -0.930 -6.859 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -1.328 -5.394 -6.696 1.00 0.00 H new ATOM 0 HD3 ARG B 2 0.382 -5.392 -7.083 1.00 0.00 H new ATOM 0 HE ARG B 2 0.146 -7.893 -7.475 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -2.637 -5.725 -7.652 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.525 -6.769 -8.767 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.999 -9.222 -8.913 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.602 -8.738 -9.477 1.00 0.00 H new ATOM 839 N THR B 3 1.581 -4.096 -1.176 1.00 0.00 N ATOM 840 CA THR B 3 1.964 -2.904 -0.433 1.00 0.00 C ATOM 841 C THR B 3 3.413 -2.525 -0.731 1.00 0.00 C ATOM 842 O THR B 3 4.352 -3.121 -0.201 1.00 0.00 O ATOM 843 CB THR B 3 1.755 -3.081 1.090 1.00 0.00 C ATOM 844 OG1 THR B 3 2.892 -3.724 1.685 1.00 0.00 O ATOM 845 CG2 THR B 3 0.507 -3.907 1.365 1.00 0.00 C ATOM 0 H THR B 3 2.000 -4.962 -0.836 1.00 0.00 H new ATOM 0 HA THR B 3 1.313 -2.094 -0.763 1.00 0.00 H new ATOM 0 HB THR B 3 1.634 -2.091 1.529 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.502 -4.027 0.981 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.376 -4.021 2.441 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.363 -3.402 0.945 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.613 -4.890 0.906 1.00 0.00 H new ATOM 853 N LYS B 4 3.583 -1.530 -1.597 1.00 0.00 N ATOM 854 CA LYS B 4 4.907 -1.064 -1.994 1.00 0.00 C ATOM 855 C LYS B 4 5.397 0.045 -1.067 1.00 0.00 C ATOM 856 O LYS B 4 4.634 0.934 -0.688 1.00 0.00 O ATOM 857 CB LYS B 4 4.863 -0.566 -3.440 1.00 0.00 C ATOM 858 CG LYS B 4 6.196 -0.664 -4.164 1.00 0.00 C ATOM 859 CD LYS B 4 6.934 0.665 -4.175 1.00 0.00 C ATOM 860 CE LYS B 4 6.189 1.712 -4.988 1.00 0.00 C ATOM 861 NZ LYS B 4 6.994 2.952 -5.169 1.00 0.00 N ATOM 0 H LYS B 4 2.813 -1.028 -2.040 1.00 0.00 H new ATOM 0 HA LYS B 4 5.606 -1.897 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS B 4 4.118 -1.141 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS B 4 4.532 0.473 -3.447 1.00 0.00 H new ATOM 0 HG2 LYS B 4 6.816 -1.420 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS B 4 6.029 -0.995 -5.189 1.00 0.00 H new ATOM 0 HD2 LYS B 4 7.061 1.020 -3.152 1.00 0.00 H new ATOM 0 HD3 LYS B 4 7.932 0.524 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS B 4 5.934 1.299 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.251 1.958 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 6.479 3.613 -5.784 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 7.159 3.397 -4.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 7.907 2.713 -5.605 1.00 0.00 H new ATOM 875 N GLN B 5 6.677 -0.013 -0.711 1.00 0.00 N ATOM 876 CA GLN B 5 7.276 0.977 0.180 1.00 0.00 C ATOM 877 C GLN B 5 7.820 2.169 -0.601 1.00 0.00 C ATOM 878 O GLN B 5 8.323 2.018 -1.715 1.00 0.00 O ATOM 879 CB GLN B 5 8.397 0.334 0.997 1.00 0.00 C ATOM 880 CG GLN B 5 7.970 -0.931 1.723 1.00 0.00 C ATOM 881 CD GLN B 5 9.114 -1.600 2.459 1.00 0.00 C ATOM 882 OE1 GLN B 5 10.271 -1.504 2.050 1.00 0.00 O ATOM 883 NE2 GLN B 5 8.794 -2.285 3.551 1.00 0.00 N ATOM 0 H GLN B 5 7.322 -0.738 -1.027 1.00 0.00 H new ATOM 0 HA GLN B 5 6.498 1.340 0.852 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.230 0.099 0.334 1.00 0.00 H new ATOM 0 HB3 GLN B 5 8.764 1.056 1.727 1.00 0.00 H new ATOM 0 HG2 GLN B 5 7.180 -0.688 2.433 1.00 0.00 H new ATOM 0 HG3 GLN B 5 7.547 -1.632 1.004 1.00 0.00 H new ATOM 0 HE21 GLN B 5 7.821 -2.338 3.853 1.00 0.00 H new ATOM 0 HE22 GLN B 5 9.521 -2.758 4.087 1.00 0.00 H new ATOM 892 N THR B 6 7.721 3.356 -0.005 1.00 0.00 N ATOM 893 CA THR B 6 8.201 4.577 -0.643 1.00 0.00 C ATOM 894 C THR B 6 8.790 5.539 0.386 1.00 0.00 C ATOM 895 O THR B 6 8.683 5.314 1.591 1.00 0.00 O ATOM 896 CB THR B 6 7.070 5.294 -1.406 1.00 0.00 C ATOM 897 OG1 THR B 6 7.612 6.352 -2.208 1.00 0.00 O ATOM 898 CG2 THR B 6 6.041 5.865 -0.440 1.00 0.00 C ATOM 0 H THR B 6 7.312 3.496 0.919 1.00 0.00 H new ATOM 0 HA THR B 6 8.977 4.281 -1.349 1.00 0.00 H new ATOM 0 HB THR B 6 6.579 4.564 -2.049 1.00 0.00 H new ATOM 0 HG1 THR B 6 7.841 6.005 -3.096 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.253 6.366 -1.002 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.608 5.057 0.150 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.524 6.581 0.225 1.00 0.00 H new ATOM 906 N ALA B 7 9.406 6.613 -0.099 1.00 0.00 N ATOM 907 CA ALA B 7 10.007 7.614 0.776 1.00 0.00 C ATOM 908 C ALA B 7 9.618 9.024 0.342 1.00 0.00 C ATOM 909 O ALA B 7 10.452 9.790 -0.142 1.00 0.00 O ATOM 910 CB ALA B 7 11.522 7.463 0.788 1.00 0.00 C ATOM 0 H ALA B 7 9.502 6.812 -1.095 1.00 0.00 H new ATOM 0 HA ALA B 7 9.629 7.454 1.786 1.00 0.00 H new ATOM 0 HB1 ALA B 7 11.958 8.216 1.445 1.00 0.00 H new ATOM 0 HB2 ALA B 7 11.786 6.469 1.150 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.909 7.595 -0.222 1.00 0.00 H new ATOM 916 N ARG B 8 8.343 9.362 0.518 1.00 0.00 N ATOM 917 CA ARG B 8 7.842 10.680 0.143 1.00 0.00 C ATOM 918 C ARG B 8 7.860 11.632 1.335 1.00 0.00 C ATOM 919 O ARG B 8 6.940 11.634 2.153 1.00 0.00 O ATOM 920 CB ARG B 8 6.420 10.571 -0.412 1.00 0.00 C ATOM 921 CG ARG B 8 6.255 9.496 -1.475 1.00 0.00 C ATOM 922 CD ARG B 8 7.091 9.791 -2.711 1.00 0.00 C ATOM 923 NE ARG B 8 6.690 11.035 -3.362 1.00 0.00 N ATOM 924 CZ ARG B 8 6.247 11.103 -4.613 1.00 0.00 C ATOM 925 NH1 ARG B 8 6.108 9.996 -5.331 1.00 0.00 N ATOM 926 NH2 ARG B 8 5.930 12.275 -5.146 1.00 0.00 N ATOM 0 H ARG B 8 7.639 8.741 0.918 1.00 0.00 H new ATOM 0 HA ARG B 8 8.498 11.081 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG B 8 5.734 10.364 0.410 1.00 0.00 H new ATOM 0 HB3 ARG B 8 6.130 11.533 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.545 8.529 -1.063 1.00 0.00 H new ATOM 0 HG3 ARG B 8 5.205 9.421 -1.756 1.00 0.00 H new ATOM 0 HD2 ARG B 8 8.143 9.852 -2.431 1.00 0.00 H new ATOM 0 HD3 ARG B 8 6.997 8.966 -3.417 1.00 0.00 H new ATOM 0 HE ARG B 8 6.754 11.901 -2.826 1.00 0.00 H new ATOM 0 HH11 ARG B 8 6.341 9.091 -4.923 1.00 0.00 H new ATOM 0 HH12 ARG B 8 5.768 10.050 -6.291 1.00 0.00 H new ATOM 0 HH21 ARG B 8 6.026 13.128 -4.595 1.00 0.00 H new ATOM 0 HH22 ARG B 8 5.590 12.323 -6.107 1.00 0.00 H new ATOM 940 N LYS B 9 8.912 12.439 1.428 1.00 0.00 N ATOM 941 CA LYS B 9 9.046 13.398 2.518 1.00 0.00 C ATOM 942 C LYS B 9 9.785 14.649 2.052 1.00 0.00 C ATOM 943 O LYS B 9 10.999 14.627 1.854 1.00 0.00 O ATOM 944 CB LYS B 9 9.786 12.768 3.700 1.00 0.00 C ATOM 945 CG LYS B 9 9.929 13.702 4.892 1.00 0.00 C ATOM 946 CD LYS B 9 10.650 13.031 6.049 1.00 0.00 C ATOM 947 CE LYS B 9 10.779 13.966 7.241 1.00 0.00 C ATOM 948 NZ LYS B 9 11.478 13.319 8.385 1.00 0.00 N ATOM 0 H LYS B 9 9.684 12.448 0.761 1.00 0.00 H new ATOM 0 HA LYS B 9 8.044 13.683 2.839 1.00 0.00 H new ATOM 0 HB2 LYS B 9 9.255 11.869 4.014 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.777 12.455 3.373 1.00 0.00 H new ATOM 0 HG2 LYS B 9 10.477 14.595 4.591 1.00 0.00 H new ATOM 0 HG3 LYS B 9 8.942 14.029 5.219 1.00 0.00 H new ATOM 0 HD2 LYS B 9 10.108 12.133 6.346 1.00 0.00 H new ATOM 0 HD3 LYS B 9 11.641 12.712 5.726 1.00 0.00 H new ATOM 0 HE2 LYS B 9 11.325 14.861 6.942 1.00 0.00 H new ATOM 0 HE3 LYS B 9 9.787 14.288 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 11.544 13.991 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 10.944 12.479 8.688 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.434 13.034 8.091 1.00 0.00 H new ATOM 962 N SER B 10 9.041 15.737 1.878 1.00 0.00 N ATOM 963 CA SER B 10 9.625 16.998 1.435 1.00 0.00 C ATOM 964 C SER B 10 9.433 18.085 2.488 1.00 0.00 C ATOM 965 O SER B 10 8.318 18.560 2.707 1.00 0.00 O ATOM 966 CB SER B 10 8.995 17.437 0.112 1.00 0.00 C ATOM 967 OG SER B 10 7.596 17.620 0.248 1.00 0.00 O ATOM 0 H SER B 10 8.034 15.771 2.037 1.00 0.00 H new ATOM 0 HA SER B 10 10.694 16.844 1.288 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.455 18.367 -0.223 1.00 0.00 H new ATOM 0 HB3 SER B 10 9.194 16.689 -0.655 1.00 0.00 H new ATOM 0 HG SER B 10 7.398 17.982 1.137 1.00 0.00 H new ATOM 973 N THR B 11 10.527 18.475 3.135 1.00 0.00 N ATOM 974 CA THR B 11 10.477 19.507 4.165 1.00 0.00 C ATOM 975 C THR B 11 10.243 20.883 3.551 1.00 0.00 C ATOM 976 O THR B 11 11.016 21.341 2.709 1.00 0.00 O ATOM 977 CB THR B 11 11.773 19.535 5.001 1.00 0.00 C ATOM 978 OG1 THR B 11 11.775 20.677 5.865 1.00 0.00 O ATOM 979 CG2 THR B 11 13.002 19.569 4.104 1.00 0.00 C ATOM 0 H THR B 11 11.457 18.093 2.965 1.00 0.00 H new ATOM 0 HA THR B 11 9.642 19.260 4.821 1.00 0.00 H new ATOM 0 HB THR B 11 11.808 18.625 5.600 1.00 0.00 H new ATOM 0 HG1 THR B 11 12.600 20.686 6.393 1.00 0.00 H new ATOM 0 HG21 THR B 11 13.901 19.588 4.720 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.015 18.682 3.471 1.00 0.00 H new ATOM 0 HG23 THR B 11 12.971 20.461 3.478 1.00 0.00 H new ATOM 987 N GLY B 12 9.167 21.538 3.977 1.00 0.00 N ATOM 988 CA GLY B 12 8.844 22.854 3.460 1.00 0.00 C ATOM 989 C GLY B 12 7.953 22.792 2.234 1.00 0.00 C ATOM 990 O GLY B 12 8.205 23.474 1.240 1.00 0.00 O ATOM 0 H GLY B 12 8.513 21.179 4.672 1.00 0.00 H new ATOM 0 HA2 GLY B 12 8.348 23.435 4.237 1.00 0.00 H new ATOM 0 HA3 GLY B 12 9.766 23.379 3.210 1.00 0.00 H new ATOM 994 N GLY B 13 6.911 21.970 2.305 1.00 0.00 N ATOM 995 CA GLY B 13 5.993 21.833 1.189 1.00 0.00 C ATOM 996 C GLY B 13 4.935 20.776 1.436 1.00 0.00 C ATOM 997 O GLY B 13 5.259 19.619 1.703 1.00 0.00 O ATOM 0 H GLY B 13 6.686 21.395 3.117 1.00 0.00 H new ATOM 0 HA2 GLY B 13 5.508 22.791 1.001 1.00 0.00 H new ATOM 0 HA3 GLY B 13 6.554 21.578 0.290 1.00 0.00 H new ATOM 1001 N LYS B 14 3.669 21.176 1.348 1.00 0.00 N ATOM 1002 CA LYS B 14 2.555 20.258 1.569 1.00 0.00 C ATOM 1003 C LYS B 14 2.670 19.596 2.939 1.00 0.00 C ATOM 1004 O LYS B 14 2.583 18.374 3.063 1.00 0.00 O ATOM 1005 CB LYS B 14 2.517 19.199 0.464 1.00 0.00 C ATOM 1006 CG LYS B 14 1.205 18.429 0.398 1.00 0.00 C ATOM 1007 CD LYS B 14 1.168 17.486 -0.796 1.00 0.00 C ATOM 1008 CE LYS B 14 1.124 18.249 -2.112 1.00 0.00 C ATOM 1009 NZ LYS B 14 1.121 17.334 -3.286 1.00 0.00 N ATOM 0 H LYS B 14 3.389 22.131 1.125 1.00 0.00 H new ATOM 0 HA LYS B 14 1.625 20.826 1.541 1.00 0.00 H new ATOM 0 HB2 LYS B 14 2.693 19.683 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS B 14 3.334 18.494 0.620 1.00 0.00 H new ATOM 0 HG2 LYS B 14 1.071 17.859 1.317 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.373 19.131 0.334 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.046 16.841 -0.778 1.00 0.00 H new ATOM 0 HD3 LYS B 14 0.295 16.838 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS B 14 0.233 18.876 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS B 14 1.984 18.916 -2.174 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 1.091 17.894 -4.162 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.984 16.753 -3.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 0.287 16.715 -3.241 1.00 0.00 H new ATOM 1023 N ALA B 15 2.869 20.416 3.966 1.00 0.00 N ATOM 1024 CA ALA B 15 3.001 19.919 5.331 1.00 0.00 C ATOM 1025 C ALA B 15 2.701 21.021 6.349 1.00 0.00 C ATOM 1026 O ALA B 15 3.472 21.971 6.483 1.00 0.00 O ATOM 1027 CB ALA B 15 4.403 19.367 5.553 1.00 0.00 C ATOM 0 H ALA B 15 2.943 21.430 3.878 1.00 0.00 H new ATOM 0 HA ALA B 15 2.275 19.119 5.474 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.491 18.998 6.575 1.00 0.00 H new ATOM 0 HB2 ALA B 15 4.587 18.550 4.855 1.00 0.00 H new ATOM 0 HB3 ALA B 15 5.136 20.157 5.388 1.00 0.00 H new ATOM 1033 N PRO B 16 1.573 20.914 7.083 1.00 0.00 N ATOM 1034 CA PRO B 16 1.191 21.915 8.088 1.00 0.00 C ATOM 1035 C PRO B 16 2.102 21.894 9.315 1.00 0.00 C ATOM 1036 O PRO B 16 1.818 22.554 10.315 1.00 0.00 O ATOM 1037 CB PRO B 16 -0.232 21.506 8.475 1.00 0.00 C ATOM 1038 CG PRO B 16 -0.300 20.049 8.185 1.00 0.00 C ATOM 1039 CD PRO B 16 0.583 19.823 6.990 1.00 0.00 C ATOM 0 HA PRO B 16 1.269 22.929 7.696 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -0.430 21.710 9.527 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -0.973 22.059 7.898 1.00 0.00 H new ATOM 0 HG2 PRO B 16 0.042 19.465 9.039 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -1.324 19.740 7.977 1.00 0.00 H new ATOM 0 HD2 PRO B 16 1.060 18.844 7.023 1.00 0.00 H new ATOM 0 HD3 PRO B 16 0.019 19.871 6.059 1.00 0.00 H new ATOM 1047 N ARG B 17 3.190 21.131 9.229 1.00 0.00 N ATOM 1048 CA ARG B 17 4.149 21.020 10.326 1.00 0.00 C ATOM 1049 C ARG B 17 3.493 20.430 11.573 1.00 0.00 C ATOM 1050 O ARG B 17 3.549 19.220 11.796 1.00 0.00 O ATOM 1051 CB ARG B 17 4.763 22.387 10.646 1.00 0.00 C ATOM 1052 CG ARG B 17 5.546 22.988 9.489 1.00 0.00 C ATOM 1053 CD ARG B 17 6.102 24.358 9.841 1.00 0.00 C ATOM 1054 NE ARG B 17 6.906 24.918 8.758 1.00 0.00 N ATOM 1055 CZ ARG B 17 6.972 26.217 8.482 1.00 0.00 C ATOM 1056 NH1 ARG B 17 6.272 27.088 9.197 1.00 0.00 N ATOM 1057 NH2 ARG B 17 7.737 26.648 7.487 1.00 0.00 N ATOM 0 H ARG B 17 3.430 20.578 8.406 1.00 0.00 H new ATOM 0 HA ARG B 17 4.944 20.345 10.008 1.00 0.00 H new ATOM 0 HB2 ARG B 17 3.968 23.075 10.932 1.00 0.00 H new ATOM 0 HB3 ARG B 17 5.423 22.287 11.508 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.365 22.321 9.218 1.00 0.00 H new ATOM 0 HG3 ARG B 17 4.899 23.071 8.615 1.00 0.00 H new ATOM 0 HD2 ARG B 17 5.279 25.035 10.069 1.00 0.00 H new ATOM 0 HD3 ARG B 17 6.711 24.281 10.742 1.00 0.00 H new ATOM 0 HE ARG B 17 7.448 24.276 8.180 1.00 0.00 H new ATOM 0 HH11 ARG B 17 5.681 26.762 9.961 1.00 0.00 H new ATOM 0 HH12 ARG B 17 6.325 28.084 8.982 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.276 25.982 6.933 1.00 0.00 H new ATOM 0 HH22 ARG B 17 7.786 27.645 7.277 1.00 0.00 H new ATOM 1071 N LYS B 18 2.873 21.288 12.382 1.00 0.00 N ATOM 1072 CA LYS B 18 2.210 20.847 13.606 1.00 0.00 C ATOM 1073 C LYS B 18 3.180 20.091 14.511 1.00 0.00 C ATOM 1074 O LYS B 18 4.392 20.119 14.300 1.00 0.00 O ATOM 1075 CB LYS B 18 1.010 19.956 13.268 1.00 0.00 C ATOM 1076 CG LYS B 18 -0.092 20.676 12.507 1.00 0.00 C ATOM 1077 CD LYS B 18 -1.184 19.713 12.070 1.00 0.00 C ATOM 1078 CE LYS B 18 -2.333 20.442 11.394 1.00 0.00 C ATOM 1079 NZ LYS B 18 -3.031 21.366 12.329 1.00 0.00 N ATOM 0 H LYS B 18 2.817 22.292 12.211 1.00 0.00 H new ATOM 0 HA LYS B 18 1.860 21.732 14.138 1.00 0.00 H new ATOM 0 HB2 LYS B 18 1.354 19.108 12.676 1.00 0.00 H new ATOM 0 HB3 LYS B 18 0.597 19.552 14.192 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -0.522 21.455 13.137 1.00 0.00 H new ATOM 0 HG3 LYS B 18 0.331 21.170 11.632 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -0.767 18.975 11.385 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -1.558 19.168 12.937 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -1.954 21.006 10.542 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -3.045 19.715 11.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -3.945 21.648 11.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -3.191 20.885 13.237 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -2.445 22.211 12.483 1.00 0.00 H new ATOM 1093 N GLN B 19 2.638 19.418 15.523 1.00 0.00 N ATOM 1094 CA GLN B 19 3.456 18.654 16.457 1.00 0.00 C ATOM 1095 C GLN B 19 4.011 17.399 15.788 1.00 0.00 C ATOM 1096 O GLN B 19 3.330 16.756 14.988 1.00 0.00 O ATOM 1097 CB GLN B 19 2.635 18.270 17.691 1.00 0.00 C ATOM 1098 CG GLN B 19 3.436 17.527 18.750 1.00 0.00 C ATOM 1099 CD GLN B 19 2.609 17.176 19.972 1.00 0.00 C ATOM 1100 OE1 GLN B 19 2.853 16.163 20.630 1.00 0.00 O ATOM 1101 NE2 GLN B 19 1.629 18.014 20.289 1.00 0.00 N ATOM 0 H GLN B 19 1.637 19.387 15.716 1.00 0.00 H new ATOM 0 HA GLN B 19 4.293 19.280 16.768 1.00 0.00 H new ATOM 0 HB2 GLN B 19 2.215 19.174 18.133 1.00 0.00 H new ATOM 0 HB3 GLN B 19 1.796 17.648 17.379 1.00 0.00 H new ATOM 0 HG2 GLN B 19 3.843 16.613 18.317 1.00 0.00 H new ATOM 0 HG3 GLN B 19 4.284 18.140 19.055 1.00 0.00 H new ATOM 0 HE21 GLN B 19 1.461 18.842 19.717 1.00 0.00 H new ATOM 0 HE22 GLN B 19 1.045 17.830 21.104 1.00 0.00 H new ATOM 1110 N LEU B 20 5.252 17.056 16.121 1.00 0.00 N ATOM 1111 CA LEU B 20 5.900 15.880 15.552 1.00 0.00 C ATOM 1112 C LEU B 20 5.660 14.653 16.424 1.00 0.00 C ATOM 1113 O LEU B 20 5.778 13.517 15.961 1.00 0.00 O ATOM 1114 CB LEU B 20 7.404 16.127 15.399 1.00 0.00 C ATOM 1115 CG LEU B 20 8.182 15.001 14.714 1.00 0.00 C ATOM 1116 CD1 LEU B 20 7.771 14.876 13.255 1.00 0.00 C ATOM 1117 CD2 LEU B 20 9.679 15.243 14.832 1.00 0.00 C ATOM 0 H LEU B 20 5.829 17.576 16.782 1.00 0.00 H new ATOM 0 HA LEU B 20 5.467 15.695 14.569 1.00 0.00 H new ATOM 0 HB2 LEU B 20 7.549 17.046 14.831 1.00 0.00 H new ATOM 0 HB3 LEU B 20 7.831 16.293 16.388 1.00 0.00 H new ATOM 0 HG LEU B 20 7.945 14.063 15.215 1.00 0.00 H new ATOM 0 HD11 LEU B 20 8.335 14.070 12.786 1.00 0.00 H new ATOM 0 HD12 LEU B 20 6.705 14.655 13.195 1.00 0.00 H new ATOM 0 HD13 LEU B 20 7.977 15.813 12.737 1.00 0.00 H new ATOM 0 HD21 LEU B 20 10.218 14.434 14.340 1.00 0.00 H new ATOM 0 HD22 LEU B 20 9.933 16.190 14.356 1.00 0.00 H new ATOM 0 HD23 LEU B 20 9.960 15.279 15.885 1.00 0.00 H new ATOM 1129 N CYS B 21 5.323 14.892 17.689 1.00 0.00 N ATOM 1130 CA CYS B 21 5.062 13.814 18.638 1.00 0.00 C ATOM 1131 C CYS B 21 6.274 12.896 18.772 1.00 0.00 C ATOM 1132 O CYS B 21 7.138 13.181 19.629 1.00 0.00 O ATOM 1133 CB CYS B 21 3.836 13.005 18.204 1.00 0.00 C ATOM 1134 SG CYS B 21 2.334 13.992 18.008 1.00 0.00 S ATOM 1135 OXT CYS B 21 6.350 11.900 18.022 1.00 0.00 O ATOM 0 H CYS B 21 5.224 15.828 18.082 1.00 0.00 H new ATOM 0 HA CYS B 21 4.864 14.264 19.611 1.00 0.00 H new ATOM 0 HB2 CYS B 21 4.057 12.508 17.260 1.00 0.00 H new ATOM 0 HB3 CYS B 21 3.651 12.223 18.940 1.00 0.00 H new ATOM 0 HG CYS B 21 1.354 13.222 17.638 1.00 0.00 H new TER 1141 CYS B 21 HETATM 1142 ZN ZN A 401 -0.681 8.212 5.307 1.00 0.00 ZN HETATM 1143 ZN ZN A 501 -10.081 0.717 -4.918 1.00 0.00 ZN