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: A 295 ASN : amide:sc= -3.91! C(o=-6.7!,f=-6.3!) USER MOD Set 1.2: A 310 CYS SG : rot 180:sc= -2.79! USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 294 LYS NZ :NH3+ -165:sc= -1.46 (180deg=-1.93!) USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 45:sc= 1.04 USER MOD Single : A 334 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 338 SER OG : rot 180:sc= -0.0556 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 342 GLN : amide:sc= -0.015 K(o=-0.015,f=-2.9!) USER MOD Single : A 344 THR OG1 : rot 180:sc=-2.66e-05 USER MOD Single : A 346 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 1 ALA N :NH3+ -122:sc= 0.641 (180deg=-0.745) USER MOD Single : B 3 THR OG1 : rot -24:sc= 1.12 USER MOD Single : B 4 LYS NZ :NH3+ -171:sc= 0.027 (180deg=0.019) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 6 THR OG1 : rot -140:sc= -0.704 USER MOD Single : B 9 LYS NZ :NH3+ 153:sc= -1.88! (180deg=-3.03!) USER MOD Single : B 10 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 CYS SG : rot 46:sc= -0.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 3.074 1.183 -14.130 1.00 0.00 N ATOM 2 CA GLY A -2 4.249 2.076 -13.935 1.00 0.00 C ATOM 3 C GLY A -2 4.883 1.911 -12.568 1.00 0.00 C ATOM 4 O GLY A -2 4.889 2.843 -11.764 1.00 0.00 O ATOM 0 H1 GLY A -2 2.677 1.334 -15.079 1.00 0.00 H new ATOM 0 H2 GLY A -2 3.372 0.191 -14.033 1.00 0.00 H new ATOM 0 H3 GLY A -2 2.351 1.399 -13.414 1.00 0.00 H new ATOM 0 HA2 GLY A -2 4.992 1.866 -14.704 1.00 0.00 H new ATOM 0 HA3 GLY A -2 3.939 3.113 -14.065 1.00 0.00 H new ATOM 10 N SER A -1 5.418 0.719 -12.305 1.00 0.00 N ATOM 11 CA SER A -1 6.057 0.429 -11.026 1.00 0.00 C ATOM 12 C SER A -1 5.102 0.701 -9.867 1.00 0.00 C ATOM 13 O SER A -1 5.166 1.753 -9.231 1.00 0.00 O ATOM 14 CB SER A -1 7.330 1.265 -10.864 1.00 0.00 C ATOM 15 OG SER A -1 7.993 0.956 -9.650 1.00 0.00 O ATOM 0 H SER A -1 5.420 -0.061 -12.963 1.00 0.00 H new ATOM 0 HA SER A -1 6.323 -0.628 -11.013 1.00 0.00 H new ATOM 0 HB2 SER A -1 7.999 1.081 -11.704 1.00 0.00 H new ATOM 0 HB3 SER A -1 7.077 2.325 -10.884 1.00 0.00 H new ATOM 0 HG SER A -1 8.803 1.502 -9.571 1.00 0.00 H new ATOM 21 N LYS A 294 4.214 -0.257 -9.605 1.00 0.00 N ATOM 22 CA LYS A 294 3.236 -0.134 -8.525 1.00 0.00 C ATOM 23 C LYS A 294 2.309 1.055 -8.752 1.00 0.00 C ATOM 24 O LYS A 294 2.488 1.826 -9.696 1.00 0.00 O ATOM 25 CB LYS A 294 3.938 0.019 -7.175 1.00 0.00 C ATOM 26 CG LYS A 294 4.832 -1.155 -6.816 1.00 0.00 C ATOM 27 CD LYS A 294 4.122 -2.137 -5.903 1.00 0.00 C ATOM 28 CE LYS A 294 4.852 -3.467 -5.840 1.00 0.00 C ATOM 29 NZ LYS A 294 4.093 -4.481 -5.058 1.00 0.00 N ATOM 0 H LYS A 294 4.152 -1.130 -10.128 1.00 0.00 H new ATOM 0 HA LYS A 294 2.640 -1.047 -8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 294 4.537 0.930 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 294 3.186 0.143 -6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 294 5.147 -1.665 -7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 294 5.735 -0.790 -6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 294 4.047 -1.714 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 294 3.104 -2.296 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 294 5.018 -3.838 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 294 5.834 -3.321 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 4.719 -5.277 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 3.737 -4.048 -4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 3.292 -4.827 -5.624 1.00 0.00 H new ATOM 43 N ASN A 295 1.318 1.194 -7.880 1.00 0.00 N ATOM 44 CA ASN A 295 0.372 2.298 -7.970 1.00 0.00 C ATOM 45 C ASN A 295 1.065 3.610 -7.626 1.00 0.00 C ATOM 46 O ASN A 295 2.269 3.631 -7.370 1.00 0.00 O ATOM 47 CB ASN A 295 -0.807 2.062 -7.023 1.00 0.00 C ATOM 48 CG ASN A 295 -1.708 0.935 -7.489 1.00 0.00 C ATOM 49 OD1 ASN A 295 -1.795 0.650 -8.684 1.00 0.00 O ATOM 50 ND2 ASN A 295 -2.387 0.292 -6.549 1.00 0.00 N ATOM 0 H ASN A 295 1.149 0.556 -7.103 1.00 0.00 H new ATOM 0 HA ASN A 295 -0.004 2.355 -8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.429 1.832 -6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -1.391 2.979 -6.939 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -3.012 -0.473 -6.804 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -2.284 0.562 -5.571 1.00 0.00 H new ATOM 57 N GLU A 296 0.311 4.704 -7.622 1.00 0.00 N ATOM 58 CA GLU A 296 0.884 6.003 -7.294 1.00 0.00 C ATOM 59 C GLU A 296 1.443 5.985 -5.876 1.00 0.00 C ATOM 60 O GLU A 296 0.707 5.747 -4.920 1.00 0.00 O ATOM 61 CB GLU A 296 -0.166 7.108 -7.433 1.00 0.00 C ATOM 62 CG GLU A 296 -0.242 7.706 -8.827 1.00 0.00 C ATOM 63 CD GLU A 296 -0.431 6.660 -9.907 1.00 0.00 C ATOM 64 OE1 GLU A 296 0.584 6.113 -10.388 1.00 0.00 O ATOM 65 OE2 GLU A 296 -1.593 6.389 -10.276 1.00 0.00 O ATOM 0 H GLU A 296 -0.686 4.718 -7.839 1.00 0.00 H new ATOM 0 HA GLU A 296 1.695 6.209 -7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -1.143 6.704 -7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 296 0.057 7.901 -6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -1.068 8.416 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 296 0.671 8.267 -9.027 1.00 0.00 H new ATOM 72 N ASP A 297 2.749 6.212 -5.750 1.00 0.00 N ATOM 73 CA ASP A 297 3.402 6.220 -4.443 1.00 0.00 C ATOM 74 C ASP A 297 3.021 7.467 -3.648 1.00 0.00 C ATOM 75 O ASP A 297 3.862 8.322 -3.369 1.00 0.00 O ATOM 76 CB ASP A 297 4.923 6.148 -4.604 1.00 0.00 C ATOM 77 CG ASP A 297 5.340 5.525 -5.921 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.414 4.280 -5.993 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.591 6.283 -6.881 1.00 0.00 O ATOM 0 H ASP A 297 3.375 6.392 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 297 3.061 5.343 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.340 7.152 -4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.345 5.569 -3.783 1.00 0.00 H new ATOM 84 N GLU A 298 1.746 7.562 -3.289 1.00 0.00 N ATOM 85 CA GLU A 298 1.233 8.693 -2.526 1.00 0.00 C ATOM 86 C GLU A 298 0.059 8.250 -1.663 1.00 0.00 C ATOM 87 O GLU A 298 -1.036 8.014 -2.175 1.00 0.00 O ATOM 88 CB GLU A 298 0.782 9.820 -3.455 1.00 0.00 C ATOM 89 CG GLU A 298 1.835 10.260 -4.460 1.00 0.00 C ATOM 90 CD GLU A 298 1.341 11.367 -5.373 1.00 0.00 C ATOM 91 OE1 GLU A 298 0.776 11.048 -6.441 1.00 0.00 O ATOM 92 OE2 GLU A 298 1.520 12.552 -5.021 1.00 0.00 O ATOM 0 H GLU A 298 1.042 6.860 -3.517 1.00 0.00 H new ATOM 0 HA GLU A 298 2.037 9.064 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -0.107 9.496 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 298 0.492 10.679 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 298 2.721 10.602 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 298 2.137 9.404 -5.063 1.00 0.00 H new ATOM 99 N CYS A 299 0.287 8.131 -0.357 1.00 0.00 N ATOM 100 CA CYS A 299 -0.768 7.713 0.560 1.00 0.00 C ATOM 101 C CYS A 299 -2.019 8.566 0.363 1.00 0.00 C ATOM 102 O CYS A 299 -2.034 9.755 0.687 1.00 0.00 O ATOM 103 CB CYS A 299 -0.287 7.797 2.002 1.00 0.00 C ATOM 104 SG CYS A 299 -1.633 7.820 3.221 1.00 0.00 S ATOM 0 H CYS A 299 1.186 8.317 0.087 1.00 0.00 H new ATOM 0 HA CYS A 299 -1.021 6.676 0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.364 6.947 2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.316 8.697 2.123 1.00 0.00 H new ATOM 109 N ALA A 300 -3.071 7.936 -0.149 1.00 0.00 N ATOM 110 CA ALA A 300 -4.330 8.617 -0.442 1.00 0.00 C ATOM 111 C ALA A 300 -5.053 9.153 0.801 1.00 0.00 C ATOM 112 O ALA A 300 -6.204 9.578 0.699 1.00 0.00 O ATOM 113 CB ALA A 300 -5.252 7.678 -1.213 1.00 0.00 C ATOM 0 H ALA A 300 -3.077 6.941 -0.373 1.00 0.00 H new ATOM 0 HA ALA A 300 -4.075 9.490 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -6.191 8.187 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.773 7.384 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.452 6.790 -0.613 1.00 0.00 H new ATOM 119 N VAL A 301 -4.406 9.143 1.968 1.00 0.00 N ATOM 120 CA VAL A 301 -5.059 9.649 3.175 1.00 0.00 C ATOM 121 C VAL A 301 -4.288 10.808 3.817 1.00 0.00 C ATOM 122 O VAL A 301 -4.894 11.666 4.461 1.00 0.00 O ATOM 123 CB VAL A 301 -5.299 8.532 4.224 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.804 7.193 3.719 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.649 8.869 5.558 1.00 0.00 C ATOM 0 H VAL A 301 -3.455 8.799 2.102 1.00 0.00 H new ATOM 0 HA VAL A 301 -6.027 10.027 2.846 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.375 8.464 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -4.985 6.429 4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.335 6.931 2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.735 7.254 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.838 8.064 6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.574 8.986 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -5.069 9.798 5.943 1.00 0.00 H new ATOM 135 N CYS A 302 -2.967 10.849 3.648 1.00 0.00 N ATOM 136 CA CYS A 302 -2.183 11.926 4.257 1.00 0.00 C ATOM 137 C CYS A 302 -1.056 12.411 3.346 1.00 0.00 C ATOM 138 O CYS A 302 -0.207 13.201 3.760 1.00 0.00 O ATOM 139 CB CYS A 302 -1.634 11.494 5.625 1.00 0.00 C ATOM 140 SG CYS A 302 -0.149 10.437 5.572 1.00 0.00 S ATOM 0 H CYS A 302 -2.428 10.170 3.110 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.858 12.769 4.403 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.403 12.388 6.204 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.419 10.962 6.161 1.00 0.00 H new ATOM 145 N ARG A 303 -1.067 11.938 2.104 1.00 0.00 N ATOM 146 CA ARG A 303 -0.068 12.325 1.105 1.00 0.00 C ATOM 147 C ARG A 303 1.360 12.219 1.639 1.00 0.00 C ATOM 148 O ARG A 303 2.086 13.212 1.692 1.00 0.00 O ATOM 149 CB ARG A 303 -0.332 13.752 0.616 1.00 0.00 C ATOM 150 CG ARG A 303 -1.425 13.850 -0.437 1.00 0.00 C ATOM 151 CD ARG A 303 -2.779 13.428 0.112 1.00 0.00 C ATOM 152 NE ARG A 303 -3.833 13.536 -0.891 1.00 0.00 N ATOM 153 CZ ARG A 303 -5.098 13.192 -0.672 1.00 0.00 C ATOM 154 NH1 ARG A 303 -5.466 12.722 0.512 1.00 0.00 N ATOM 155 NH2 ARG A 303 -5.997 13.319 -1.638 1.00 0.00 N ATOM 0 H ARG A 303 -1.764 11.278 1.759 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.161 11.626 0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.606 14.373 1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.591 14.162 0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -1.485 14.875 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.166 13.221 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -2.721 12.399 0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -3.031 14.049 0.971 1.00 0.00 H new ATOM 0 HE ARG A 303 -3.585 13.896 -1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -4.777 12.624 1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -6.438 12.459 0.677 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.718 13.681 -2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -6.968 13.055 -1.469 1.00 0.00 H new ATOM 169 N ASP A 304 1.762 11.014 2.026 1.00 0.00 N ATOM 170 CA ASP A 304 3.113 10.791 2.534 1.00 0.00 C ATOM 171 C ASP A 304 3.665 9.455 2.039 1.00 0.00 C ATOM 172 O ASP A 304 2.905 8.552 1.685 1.00 0.00 O ATOM 173 CB ASP A 304 3.129 10.840 4.063 1.00 0.00 C ATOM 174 CG ASP A 304 3.004 12.252 4.599 1.00 0.00 C ATOM 175 OD1 ASP A 304 3.978 13.024 4.468 1.00 0.00 O ATOM 176 OD2 ASP A 304 1.936 12.587 5.152 1.00 0.00 O ATOM 0 H ASP A 304 1.176 10.179 1.999 1.00 0.00 H new ATOM 0 HA ASP A 304 3.753 11.588 2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.311 10.233 4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 304 4.056 10.397 4.428 1.00 0.00 H new ATOM 181 N GLY A 305 4.992 9.341 2.014 1.00 0.00 N ATOM 182 CA GLY A 305 5.626 8.116 1.554 1.00 0.00 C ATOM 183 C GLY A 305 5.672 7.039 2.619 1.00 0.00 C ATOM 184 O GLY A 305 4.704 6.843 3.342 1.00 0.00 O ATOM 0 H GLY A 305 5.639 10.075 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.087 7.738 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.641 8.339 1.226 1.00 0.00 H new ATOM 188 N GLY A 306 6.799 6.341 2.717 1.00 0.00 N ATOM 189 CA GLY A 306 6.928 5.277 3.700 1.00 0.00 C ATOM 190 C GLY A 306 6.381 3.963 3.176 1.00 0.00 C ATOM 191 O GLY A 306 6.510 3.670 1.990 1.00 0.00 O ATOM 0 H GLY A 306 7.624 6.491 2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.977 5.154 3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.397 5.556 4.610 1.00 0.00 H new ATOM 195 N GLU A 307 5.772 3.161 4.047 1.00 0.00 N ATOM 196 CA GLU A 307 5.206 1.890 3.622 1.00 0.00 C ATOM 197 C GLU A 307 3.717 2.044 3.335 1.00 0.00 C ATOM 198 O GLU A 307 2.926 2.303 4.241 1.00 0.00 O ATOM 199 CB GLU A 307 5.416 0.822 4.695 1.00 0.00 C ATOM 200 CG GLU A 307 5.244 -0.596 4.172 1.00 0.00 C ATOM 201 CD GLU A 307 5.112 -1.622 5.281 1.00 0.00 C ATOM 202 OE1 GLU A 307 6.045 -1.732 6.103 1.00 0.00 O ATOM 203 OE2 GLU A 307 4.075 -2.316 5.324 1.00 0.00 O ATOM 0 H GLU A 307 5.660 3.368 5.039 1.00 0.00 H new ATOM 0 HA GLU A 307 5.716 1.578 2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.417 0.929 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.710 0.990 5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.359 -0.639 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 307 6.098 -0.853 3.546 1.00 0.00 H new ATOM 210 N LEU A 308 3.340 1.881 2.071 1.00 0.00 N ATOM 211 CA LEU A 308 1.942 2.002 1.680 1.00 0.00 C ATOM 212 C LEU A 308 1.461 0.730 0.989 1.00 0.00 C ATOM 213 O LEU A 308 2.248 -0.002 0.392 1.00 0.00 O ATOM 214 CB LEU A 308 1.731 3.203 0.752 1.00 0.00 C ATOM 215 CG LEU A 308 2.758 4.324 0.863 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.640 5.254 -0.334 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.551 5.095 2.151 1.00 0.00 C ATOM 0 H LEU A 308 3.979 1.666 1.305 1.00 0.00 H new ATOM 0 HA LEU A 308 1.359 2.155 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.724 2.844 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.744 3.621 0.950 1.00 0.00 H new ATOM 0 HG LEU A 308 3.758 3.890 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.377 6.053 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.819 4.692 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.639 5.685 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.290 5.893 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.550 5.526 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.664 4.421 3.000 1.00 0.00 H new ATOM 229 N ILE A 309 0.158 0.489 1.072 1.00 0.00 N ATOM 230 CA ILE A 309 -0.461 -0.685 0.473 1.00 0.00 C ATOM 231 C ILE A 309 -1.259 -0.302 -0.768 1.00 0.00 C ATOM 232 O ILE A 309 -2.324 0.306 -0.675 1.00 0.00 O ATOM 233 CB ILE A 309 -1.386 -1.385 1.484 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.192 -2.498 0.813 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.311 -0.381 2.143 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.056 -3.279 1.780 1.00 0.00 C ATOM 0 H ILE A 309 -0.498 1.102 1.556 1.00 0.00 H new ATOM 0 HA ILE A 309 0.335 -1.371 0.184 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.762 -1.839 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -2.826 -2.063 0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.507 -3.183 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -2.958 -0.894 2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.719 0.370 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -2.922 0.105 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.601 -4.052 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.425 -3.743 2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.765 -2.605 2.260 1.00 0.00 H new ATOM 248 N CYS A 310 -0.731 -0.654 -1.931 1.00 0.00 N ATOM 249 CA CYS A 310 -1.391 -0.345 -3.188 1.00 0.00 C ATOM 250 C CYS A 310 -2.749 -1.030 -3.272 1.00 0.00 C ATOM 251 O CYS A 310 -2.925 -2.147 -2.785 1.00 0.00 O ATOM 252 CB CYS A 310 -0.513 -0.769 -4.361 1.00 0.00 C ATOM 253 SG CYS A 310 -1.072 -2.266 -5.212 1.00 0.00 S ATOM 0 H CYS A 310 0.153 -1.154 -2.029 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.550 0.732 -3.235 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.470 0.049 -5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 310 0.503 -0.929 -3.999 1.00 0.00 H new ATOM 0 HG CYS A 310 -0.260 -2.537 -6.191 1.00 0.00 H new ATOM 259 N CYS A 311 -3.706 -0.351 -3.891 1.00 0.00 N ATOM 260 CA CYS A 311 -5.051 -0.887 -4.039 1.00 0.00 C ATOM 261 C CYS A 311 -5.187 -1.681 -5.332 1.00 0.00 C ATOM 262 O CYS A 311 -4.866 -1.189 -6.414 1.00 0.00 O ATOM 263 CB CYS A 311 -6.073 0.247 -4.012 1.00 0.00 C ATOM 264 SG CYS A 311 -7.796 -0.306 -4.200 1.00 0.00 S ATOM 0 H CYS A 311 -3.574 0.574 -4.299 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.240 -1.562 -3.204 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -5.976 0.787 -3.070 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -5.839 0.952 -4.810 1.00 0.00 H new ATOM 269 N ASP A 312 -5.667 -2.915 -5.211 1.00 0.00 N ATOM 270 CA ASP A 312 -5.852 -3.783 -6.367 1.00 0.00 C ATOM 271 C ASP A 312 -6.929 -3.228 -7.291 1.00 0.00 C ATOM 272 O ASP A 312 -7.051 -3.649 -8.442 1.00 0.00 O ATOM 273 CB ASP A 312 -6.234 -5.193 -5.913 1.00 0.00 C ATOM 274 CG ASP A 312 -6.338 -6.165 -7.073 1.00 0.00 C ATOM 275 OD1 ASP A 312 -5.299 -6.735 -7.467 1.00 0.00 O ATOM 276 OD2 ASP A 312 -7.460 -6.355 -7.588 1.00 0.00 O ATOM 0 H ASP A 312 -5.935 -3.336 -4.322 1.00 0.00 H new ATOM 0 HA ASP A 312 -4.911 -3.826 -6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -5.491 -5.557 -5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -7.188 -5.156 -5.386 1.00 0.00 H new ATOM 281 N GLY A 313 -7.709 -2.281 -6.779 1.00 0.00 N ATOM 282 CA GLY A 313 -8.770 -1.685 -7.568 1.00 0.00 C ATOM 283 C GLY A 313 -8.341 -0.406 -8.260 1.00 0.00 C ATOM 284 O GLY A 313 -8.428 -0.298 -9.484 1.00 0.00 O ATOM 0 H GLY A 313 -7.624 -1.916 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -9.106 -2.402 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.622 -1.475 -6.922 1.00 0.00 H new ATOM 288 N CYS A 314 -7.877 0.566 -7.479 1.00 0.00 N ATOM 289 CA CYS A 314 -7.443 1.845 -8.031 1.00 0.00 C ATOM 290 C CYS A 314 -5.951 2.082 -7.780 1.00 0.00 C ATOM 291 O CYS A 314 -5.345 1.420 -6.937 1.00 0.00 O ATOM 292 CB CYS A 314 -8.267 2.986 -7.427 1.00 0.00 C ATOM 293 SG CYS A 314 -8.054 3.194 -5.632 1.00 0.00 S ATOM 0 H CYS A 314 -7.792 0.492 -6.465 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.603 1.818 -9.109 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -7.995 3.917 -7.924 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -9.322 2.808 -7.638 1.00 0.00 H new ATOM 298 N PRO A 315 -5.340 3.024 -8.531 1.00 0.00 N ATOM 299 CA PRO A 315 -3.911 3.364 -8.408 1.00 0.00 C ATOM 300 C PRO A 315 -3.572 4.150 -7.140 1.00 0.00 C ATOM 301 O PRO A 315 -2.943 5.207 -7.215 1.00 0.00 O ATOM 302 CB PRO A 315 -3.643 4.252 -9.633 1.00 0.00 C ATOM 303 CG PRO A 315 -4.842 4.114 -10.509 1.00 0.00 C ATOM 304 CD PRO A 315 -5.986 3.811 -9.591 1.00 0.00 C ATOM 0 HA PRO A 315 -3.308 2.458 -8.353 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.493 5.290 -9.337 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.740 3.935 -10.155 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.023 5.030 -11.070 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.704 3.316 -11.238 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.445 4.719 -9.200 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.772 3.247 -10.094 1.00 0.00 H new ATOM 312 N ARG A 316 -3.962 3.633 -5.981 1.00 0.00 N ATOM 313 CA ARG A 316 -3.689 4.316 -4.720 1.00 0.00 C ATOM 314 C ARG A 316 -2.844 3.460 -3.783 1.00 0.00 C ATOM 315 O ARG A 316 -2.461 2.342 -4.118 1.00 0.00 O ATOM 316 CB ARG A 316 -4.997 4.700 -4.035 1.00 0.00 C ATOM 317 CG ARG A 316 -5.709 5.858 -4.707 1.00 0.00 C ATOM 318 CD ARG A 316 -7.024 6.169 -4.013 1.00 0.00 C ATOM 319 NE ARG A 316 -7.637 7.393 -4.522 1.00 0.00 N ATOM 320 CZ ARG A 316 -8.614 8.045 -3.899 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.089 7.591 -2.747 1.00 0.00 N ATOM 322 NH2 ARG A 316 -9.118 9.151 -4.427 1.00 0.00 N ATOM 0 H ARG A 316 -4.464 2.750 -5.887 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.121 5.217 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.659 3.834 -4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.792 4.962 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.069 6.740 -4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.895 5.617 -5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.712 5.335 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -6.853 6.268 -2.941 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.296 7.769 -5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -8.705 6.740 -2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -9.839 8.093 -2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -8.756 9.504 -5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -9.868 9.650 -3.947 1.00 0.00 H new ATOM 336 N ALA A 317 -2.559 4.013 -2.608 1.00 0.00 N ATOM 337 CA ALA A 317 -1.760 3.337 -1.590 1.00 0.00 C ATOM 338 C ALA A 317 -2.122 3.889 -0.205 1.00 0.00 C ATOM 339 O ALA A 317 -2.414 5.076 -0.076 1.00 0.00 O ATOM 340 CB ALA A 317 -0.280 3.537 -1.879 1.00 0.00 C ATOM 0 H ALA A 317 -2.876 4.943 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 317 -1.973 2.268 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.311 3.030 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.041 3.122 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.048 4.602 -1.870 1.00 0.00 H new ATOM 346 N PHE A 318 -2.112 3.042 0.828 1.00 0.00 N ATOM 347 CA PHE A 318 -2.471 3.497 2.178 1.00 0.00 C ATOM 348 C PHE A 318 -1.417 3.115 3.224 1.00 0.00 C ATOM 349 O PHE A 318 -0.731 2.109 3.096 1.00 0.00 O ATOM 350 CB PHE A 318 -3.845 2.932 2.571 1.00 0.00 C ATOM 351 CG PHE A 318 -4.992 3.592 1.870 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.196 3.383 0.526 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.866 4.416 2.559 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.250 3.982 -0.129 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.926 5.020 1.912 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.118 4.802 0.563 1.00 0.00 C ATOM 0 H PHE A 318 -1.864 2.055 0.761 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.515 4.586 2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.864 1.864 2.354 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.978 3.041 3.647 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.522 2.742 -0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.717 4.588 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.397 3.810 -1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.602 5.660 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.945 5.271 0.051 1.00 0.00 H new ATOM 366 N HIS A 319 -1.303 3.937 4.267 1.00 0.00 N ATOM 367 CA HIS A 319 -0.332 3.704 5.340 1.00 0.00 C ATOM 368 C HIS A 319 -0.824 2.672 6.344 1.00 0.00 C ATOM 369 O HIS A 319 -0.542 2.795 7.535 1.00 0.00 O ATOM 370 CB HIS A 319 -0.069 4.997 6.102 1.00 0.00 C ATOM 371 CG HIS A 319 1.119 5.768 5.663 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.040 7.100 5.364 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.415 5.419 5.531 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.243 7.551 5.070 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.099 6.551 5.167 1.00 0.00 N ATOM 0 H HIS A 319 -1.873 4.774 4.393 1.00 0.00 H new ATOM 0 HA HIS A 319 0.576 3.336 4.862 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.948 5.636 6.013 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.045 4.758 7.159 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.834 4.435 5.683 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.487 8.567 4.796 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.103 6.610 4.999 1.00 0.00 H new ATOM 383 N LEU A 320 -1.558 1.669 5.880 1.00 0.00 N ATOM 384 CA LEU A 320 -2.075 0.637 6.773 1.00 0.00 C ATOM 385 C LEU A 320 -3.058 1.233 7.772 1.00 0.00 C ATOM 386 O LEU A 320 -4.270 1.095 7.629 1.00 0.00 O ATOM 387 CB LEU A 320 -0.929 -0.034 7.524 1.00 0.00 C ATOM 388 CG LEU A 320 0.157 -0.667 6.654 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.655 -1.939 7.287 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.364 -0.948 5.260 1.00 0.00 C ATOM 0 H LEU A 320 -1.808 1.547 4.899 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.594 -0.106 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.462 0.707 8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.346 -0.806 8.170 1.00 0.00 H new ATOM 0 HG LEU A 320 0.985 0.038 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.428 -2.380 6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 320 1.070 -1.718 8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.172 -2.641 7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.427 -1.398 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.210 -1.633 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.685 -0.015 4.797 1.00 0.00 H new ATOM 402 N ALA A 321 -2.513 1.893 8.788 1.00 0.00 N ATOM 403 CA ALA A 321 -3.319 2.527 9.817 1.00 0.00 C ATOM 404 C ALA A 321 -3.990 3.789 9.287 1.00 0.00 C ATOM 405 O ALA A 321 -4.912 4.318 9.907 1.00 0.00 O ATOM 406 CB ALA A 321 -2.454 2.844 11.024 1.00 0.00 C ATOM 0 H ALA A 321 -1.507 2.002 8.919 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.107 1.836 10.118 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.063 3.319 11.793 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.027 1.922 11.418 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.651 3.519 10.729 1.00 0.00 H new ATOM 412 N CYS A 322 -3.519 4.272 8.136 1.00 0.00 N ATOM 413 CA CYS A 322 -4.107 5.473 7.526 1.00 0.00 C ATOM 414 C CYS A 322 -5.460 5.128 6.918 1.00 0.00 C ATOM 415 O CYS A 322 -6.170 5.993 6.404 1.00 0.00 O ATOM 416 CB CYS A 322 -3.192 6.066 6.449 1.00 0.00 C ATOM 417 SG CYS A 322 -2.094 7.411 7.043 1.00 0.00 S ATOM 0 H CYS A 322 -2.746 3.861 7.613 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.231 6.221 8.309 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.577 5.268 6.033 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.809 6.449 5.636 1.00 0.00 H new ATOM 422 N LEU A 323 -5.797 3.848 6.991 1.00 0.00 N ATOM 423 CA LEU A 323 -7.054 3.335 6.465 1.00 0.00 C ATOM 424 C LEU A 323 -8.167 3.488 7.487 1.00 0.00 C ATOM 425 O LEU A 323 -7.892 3.612 8.681 1.00 0.00 O ATOM 426 CB LEU A 323 -6.893 1.851 6.140 1.00 0.00 C ATOM 427 CG LEU A 323 -6.335 1.536 4.768 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.717 0.149 4.764 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.436 1.641 3.735 1.00 0.00 C ATOM 0 H LEU A 323 -5.205 3.135 7.417 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.311 3.900 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.240 1.403 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.866 1.369 6.236 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.555 2.256 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.318 -0.069 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.911 0.108 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.478 -0.589 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.032 1.414 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.229 0.932 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.841 2.653 3.737 1.00 0.00 H new ATOM 441 N SER A 324 -9.424 3.493 7.033 1.00 0.00 N ATOM 442 CA SER A 324 -10.530 3.573 7.980 1.00 0.00 C ATOM 443 C SER A 324 -10.312 2.457 8.996 1.00 0.00 C ATOM 444 O SER A 324 -10.285 2.706 10.202 1.00 0.00 O ATOM 445 CB SER A 324 -11.896 3.475 7.284 1.00 0.00 C ATOM 446 OG SER A 324 -12.190 4.664 6.571 1.00 0.00 O ATOM 0 H SER A 324 -9.692 3.444 6.050 1.00 0.00 H new ATOM 0 HA SER A 324 -10.544 4.543 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 324 -11.899 2.626 6.600 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.673 3.290 8.025 1.00 0.00 H new ATOM 0 HG SER A 324 -13.063 4.577 6.135 1.00 0.00 H new ATOM 452 N PRO A 325 -10.146 1.201 8.522 1.00 0.00 N ATOM 453 CA PRO A 325 -9.810 0.080 9.360 1.00 0.00 C ATOM 454 C PRO A 325 -8.323 -0.207 9.184 1.00 0.00 C ATOM 455 O PRO A 325 -7.864 -0.425 8.062 1.00 0.00 O ATOM 456 CB PRO A 325 -10.664 -1.033 8.781 1.00 0.00 C ATOM 457 CG PRO A 325 -10.826 -0.691 7.326 1.00 0.00 C ATOM 458 CD PRO A 325 -10.330 0.730 7.138 1.00 0.00 C ATOM 0 HA PRO A 325 -9.987 0.221 10.426 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.184 -2.003 8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.630 -1.089 9.282 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.257 -1.382 6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -11.870 -0.776 7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.398 0.761 6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.052 1.341 6.596 1.00 0.00 H new ATOM 466 N PRO A 326 -7.543 -0.222 10.263 1.00 0.00 N ATOM 467 CA PRO A 326 -6.105 -0.407 10.161 1.00 0.00 C ATOM 468 C PRO A 326 -5.686 -1.847 9.968 1.00 0.00 C ATOM 469 O PRO A 326 -6.191 -2.761 10.620 1.00 0.00 O ATOM 470 CB PRO A 326 -5.606 0.144 11.476 1.00 0.00 C ATOM 471 CG PRO A 326 -6.688 -0.190 12.439 1.00 0.00 C ATOM 472 CD PRO A 326 -7.985 -0.121 11.662 1.00 0.00 C ATOM 0 HA PRO A 326 -5.693 0.090 9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.659 -0.311 11.766 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.439 1.220 11.421 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.540 -1.184 12.861 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.697 0.512 13.273 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.660 -0.934 11.931 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.518 0.811 11.850 1.00 0.00 H new ATOM 480 N LEU A 327 -4.749 -2.019 9.056 1.00 0.00 N ATOM 481 CA LEU A 327 -4.222 -3.322 8.719 1.00 0.00 C ATOM 482 C LEU A 327 -3.169 -3.769 9.719 1.00 0.00 C ATOM 483 O LEU A 327 -1.970 -3.647 9.461 1.00 0.00 O ATOM 484 CB LEU A 327 -3.622 -3.285 7.320 1.00 0.00 C ATOM 485 CG LEU A 327 -4.508 -2.632 6.276 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.778 -2.501 4.961 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.774 -3.432 6.100 1.00 0.00 C ATOM 0 H LEU A 327 -4.332 -1.253 8.527 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.042 -4.039 8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.673 -2.751 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.401 -4.305 7.005 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.769 -1.631 6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.432 -2.030 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.887 -1.888 5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.487 -3.490 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.404 -2.956 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.524 -4.442 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.311 -3.477 7.048 1.00 0.00 H new ATOM 499 N ARG A 328 -3.618 -4.270 10.865 1.00 0.00 N ATOM 500 CA ARG A 328 -2.706 -4.777 11.883 1.00 0.00 C ATOM 501 C ARG A 328 -1.712 -5.711 11.205 1.00 0.00 C ATOM 502 O ARG A 328 -0.589 -5.918 11.663 1.00 0.00 O ATOM 503 CB ARG A 328 -3.498 -5.532 12.949 1.00 0.00 C ATOM 504 CG ARG A 328 -2.900 -5.486 14.342 1.00 0.00 C ATOM 505 CD ARG A 328 -1.525 -6.131 14.410 1.00 0.00 C ATOM 506 NE ARG A 328 -1.565 -7.541 14.032 1.00 0.00 N ATOM 507 CZ ARG A 328 -0.605 -8.412 14.324 1.00 0.00 C ATOM 508 NH1 ARG A 328 0.477 -8.018 14.982 1.00 0.00 N ATOM 509 NH2 ARG A 328 -0.724 -9.681 13.955 1.00 0.00 N ATOM 0 H ARG A 328 -4.606 -4.336 11.111 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.175 -3.956 12.365 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.507 -5.122 12.989 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -3.589 -6.574 12.643 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -2.827 -4.448 14.668 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -3.569 -5.992 15.038 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -0.841 -5.598 13.750 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -1.130 -6.038 15.422 1.00 0.00 H new ATOM 0 HE ARG A 328 -2.377 -7.877 13.514 1.00 0.00 H new ATOM 0 HH11 ARG A 328 0.574 -7.043 15.266 1.00 0.00 H new ATOM 0 HH12 ARG A 328 1.212 -8.690 15.204 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -1.553 -9.989 13.447 1.00 0.00 H new ATOM 0 HH22 ARG A 328 0.014 -10.349 14.180 1.00 0.00 H new ATOM 523 N GLU A 329 -2.164 -6.250 10.082 1.00 0.00 N ATOM 524 CA GLU A 329 -1.379 -7.155 9.263 1.00 0.00 C ATOM 525 C GLU A 329 -1.910 -7.125 7.838 1.00 0.00 C ATOM 526 O GLU A 329 -3.085 -7.398 7.593 1.00 0.00 O ATOM 527 CB GLU A 329 -1.426 -8.576 9.824 1.00 0.00 C ATOM 528 CG GLU A 329 -2.834 -9.060 10.112 1.00 0.00 C ATOM 529 CD GLU A 329 -2.865 -10.461 10.691 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.749 -10.595 11.927 1.00 0.00 O ATOM 531 OE2 GLU A 329 -3.007 -11.423 9.908 1.00 0.00 O ATOM 0 H GLU A 329 -3.097 -6.068 9.712 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.338 -6.831 9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -0.954 -9.255 9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.840 -8.616 10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.314 -8.373 10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.416 -9.039 9.191 1.00 0.00 H new ATOM 538 N ILE A 330 -1.034 -6.778 6.910 1.00 0.00 N ATOM 539 CA ILE A 330 -1.393 -6.665 5.507 1.00 0.00 C ATOM 540 C ILE A 330 -2.260 -7.824 5.007 1.00 0.00 C ATOM 541 O ILE A 330 -1.994 -8.991 5.291 1.00 0.00 O ATOM 542 CB ILE A 330 -0.128 -6.511 4.638 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.501 -5.142 4.913 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.452 -6.670 3.157 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.478 -4.008 4.782 1.00 0.00 C ATOM 0 H ILE A 330 -0.056 -6.567 7.108 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.005 -5.768 5.414 1.00 0.00 H new ATOM 0 HB ILE A 330 0.581 -7.297 4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.922 -5.137 5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.328 -4.983 4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.460 -6.556 2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.875 -7.659 2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.173 -5.909 2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.028 -3.065 4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.880 -3.990 3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.292 -4.146 5.493 1.00 0.00 H new ATOM 557 N PRO A 331 -3.324 -7.474 4.248 1.00 0.00 N ATOM 558 CA PRO A 331 -4.283 -8.431 3.673 1.00 0.00 C ATOM 559 C PRO A 331 -3.624 -9.658 3.055 1.00 0.00 C ATOM 560 O PRO A 331 -2.436 -9.647 2.735 1.00 0.00 O ATOM 561 CB PRO A 331 -4.960 -7.606 2.586 1.00 0.00 C ATOM 562 CG PRO A 331 -4.948 -6.224 3.123 1.00 0.00 C ATOM 563 CD PRO A 331 -3.672 -6.086 3.890 1.00 0.00 C ATOM 0 HA PRO A 331 -4.951 -8.835 4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.420 -7.672 1.641 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.976 -7.952 2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -4.999 -5.492 2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.810 -6.049 3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.892 -5.621 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.803 -5.465 4.776 1.00 0.00 H new ATOM 571 N SER A 332 -4.416 -10.712 2.875 1.00 0.00 N ATOM 572 CA SER A 332 -3.924 -11.950 2.284 1.00 0.00 C ATOM 573 C SER A 332 -4.296 -12.019 0.806 1.00 0.00 C ATOM 574 O SER A 332 -5.438 -12.317 0.455 1.00 0.00 O ATOM 575 CB SER A 332 -4.486 -13.157 3.030 1.00 0.00 C ATOM 576 OG SER A 332 -5.863 -13.343 2.751 1.00 0.00 O ATOM 0 H SER A 332 -5.403 -10.732 3.131 1.00 0.00 H new ATOM 0 HA SER A 332 -2.837 -11.965 2.369 1.00 0.00 H new ATOM 0 HB2 SER A 332 -3.932 -14.052 2.747 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.346 -13.021 4.102 1.00 0.00 H new ATOM 0 HG SER A 332 -6.018 -13.247 1.788 1.00 0.00 H new ATOM 582 N GLY A 333 -3.326 -11.735 -0.057 1.00 0.00 N ATOM 583 CA GLY A 333 -3.573 -11.757 -1.487 1.00 0.00 C ATOM 584 C GLY A 333 -3.969 -10.390 -2.014 1.00 0.00 C ATOM 585 O GLY A 333 -3.231 -9.420 -1.846 1.00 0.00 O ATOM 0 H GLY A 333 -2.372 -11.490 0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.677 -12.100 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -4.364 -12.474 -1.708 1.00 0.00 H new ATOM 589 N THR A 334 -5.136 -10.312 -2.648 1.00 0.00 N ATOM 590 CA THR A 334 -5.630 -9.048 -3.187 1.00 0.00 C ATOM 591 C THR A 334 -6.077 -8.122 -2.062 1.00 0.00 C ATOM 592 O THR A 334 -5.975 -8.473 -0.886 1.00 0.00 O ATOM 593 CB THR A 334 -6.809 -9.268 -4.152 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.834 -10.033 -3.505 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.353 -9.986 -5.413 1.00 0.00 C ATOM 0 H THR A 334 -5.756 -11.107 -2.801 1.00 0.00 H new ATOM 0 HA THR A 334 -4.807 -8.590 -3.736 1.00 0.00 H new ATOM 0 HB THR A 334 -7.205 -8.292 -4.434 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.582 -10.168 -4.124 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.205 -10.129 -6.078 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.595 -9.388 -5.918 1.00 0.00 H new ATOM 0 HG23 THR A 334 -5.933 -10.956 -5.148 1.00 0.00 H new ATOM 603 N TRP A 335 -6.574 -6.941 -2.422 1.00 0.00 N ATOM 604 CA TRP A 335 -7.031 -5.979 -1.424 1.00 0.00 C ATOM 605 C TRP A 335 -7.809 -4.828 -2.056 1.00 0.00 C ATOM 606 O TRP A 335 -7.491 -4.373 -3.155 1.00 0.00 O ATOM 607 CB TRP A 335 -5.845 -5.414 -0.645 1.00 0.00 C ATOM 608 CG TRP A 335 -6.235 -4.345 0.329 1.00 0.00 C ATOM 609 CD1 TRP A 335 -6.932 -4.504 1.493 1.00 0.00 C ATOM 610 CD2 TRP A 335 -5.956 -2.949 0.214 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.081 -3.291 2.119 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.496 -2.321 1.350 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.294 -2.168 -0.736 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.393 -0.952 1.561 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.196 -0.807 -0.526 1.00 0.00 C ATOM 616 CH2 TRP A 335 -5.741 -0.210 0.616 1.00 0.00 C ATOM 0 H TRP A 335 -6.670 -6.630 -3.389 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.698 -6.514 -0.748 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.352 -6.224 -0.107 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.117 -5.009 -1.348 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.310 -5.445 1.866 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.551 -3.138 3.011 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -4.867 -2.620 -1.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -6.814 -0.490 2.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -4.690 -0.193 -1.256 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -5.645 0.857 0.753 1.00 0.00 H new ATOM 627 N ARG A 336 -8.830 -4.367 -1.342 1.00 0.00 N ATOM 628 CA ARG A 336 -9.656 -3.262 -1.789 1.00 0.00 C ATOM 629 C ARG A 336 -9.569 -2.096 -0.812 1.00 0.00 C ATOM 630 O ARG A 336 -9.307 -2.292 0.375 1.00 0.00 O ATOM 631 CB ARG A 336 -11.103 -3.716 -1.906 1.00 0.00 C ATOM 632 CG ARG A 336 -11.372 -4.551 -3.129 1.00 0.00 C ATOM 633 CD ARG A 336 -12.099 -3.714 -4.141 1.00 0.00 C ATOM 634 NE ARG A 336 -11.774 -4.085 -5.514 1.00 0.00 N ATOM 635 CZ ARG A 336 -12.570 -4.818 -6.289 1.00 0.00 C ATOM 636 NH1 ARG A 336 -13.728 -5.263 -5.821 1.00 0.00 N ATOM 637 NH2 ARG A 336 -12.206 -5.109 -7.529 1.00 0.00 N ATOM 0 H ARG A 336 -9.105 -4.752 -0.438 1.00 0.00 H new ATOM 0 HA ARG A 336 -9.294 -2.933 -2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.369 -4.290 -1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.750 -2.839 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -10.435 -4.919 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -11.968 -5.425 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -13.173 -3.815 -3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -11.851 -2.664 -3.984 1.00 0.00 H new ATOM 0 HE ARG A 336 -10.887 -3.765 -5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -14.010 -5.044 -4.866 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -14.337 -5.825 -6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -11.314 -4.771 -7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -12.817 -5.671 -8.121 1.00 0.00 H new ATOM 651 N CYS A 337 -9.794 -0.884 -1.307 1.00 0.00 N ATOM 652 CA CYS A 337 -9.753 0.302 -0.455 1.00 0.00 C ATOM 653 C CYS A 337 -11.169 0.786 -0.186 1.00 0.00 C ATOM 654 O CYS A 337 -12.069 0.515 -0.972 1.00 0.00 O ATOM 655 CB CYS A 337 -8.931 1.417 -1.101 1.00 0.00 C ATOM 656 SG CYS A 337 -9.814 2.332 -2.401 1.00 0.00 S ATOM 0 H CYS A 337 -10.005 -0.696 -2.287 1.00 0.00 H new ATOM 0 HA CYS A 337 -9.274 0.034 0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.618 2.118 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -8.025 0.986 -1.527 1.00 0.00 H new ATOM 661 N SER A 338 -11.356 1.506 0.917 1.00 0.00 N ATOM 662 CA SER A 338 -12.681 2.007 1.302 1.00 0.00 C ATOM 663 C SER A 338 -13.526 2.411 0.091 1.00 0.00 C ATOM 664 O SER A 338 -14.678 1.992 -0.041 1.00 0.00 O ATOM 665 CB SER A 338 -12.537 3.196 2.253 1.00 0.00 C ATOM 666 OG SER A 338 -11.855 4.271 1.629 1.00 0.00 O ATOM 0 H SER A 338 -10.608 1.758 1.563 1.00 0.00 H new ATOM 0 HA SER A 338 -13.200 1.191 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 338 -13.523 3.527 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.994 2.887 3.146 1.00 0.00 H new ATOM 0 HG SER A 338 -11.778 5.019 2.258 1.00 0.00 H new ATOM 672 N SER A 339 -12.954 3.223 -0.793 1.00 0.00 N ATOM 673 CA SER A 339 -13.664 3.682 -1.981 1.00 0.00 C ATOM 674 C SER A 339 -14.108 2.518 -2.866 1.00 0.00 C ATOM 675 O SER A 339 -15.295 2.368 -3.163 1.00 0.00 O ATOM 676 CB SER A 339 -12.781 4.634 -2.771 1.00 0.00 C ATOM 677 OG SER A 339 -13.428 5.075 -3.952 1.00 0.00 O ATOM 0 H SER A 339 -12.001 3.576 -0.709 1.00 0.00 H new ATOM 0 HA SER A 339 -14.563 4.203 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 339 -12.524 5.493 -2.152 1.00 0.00 H new ATOM 0 HB3 SER A 339 -11.846 4.137 -3.030 1.00 0.00 H new ATOM 0 HG SER A 339 -12.838 5.687 -4.439 1.00 0.00 H new ATOM 683 N CYS A 340 -13.150 1.696 -3.286 1.00 0.00 N ATOM 684 CA CYS A 340 -13.436 0.559 -4.143 1.00 0.00 C ATOM 685 C CYS A 340 -14.354 -0.433 -3.443 1.00 0.00 C ATOM 686 O CYS A 340 -15.018 -1.244 -4.087 1.00 0.00 O ATOM 687 CB CYS A 340 -12.135 -0.127 -4.553 1.00 0.00 C ATOM 688 SG CYS A 340 -11.078 0.878 -5.646 1.00 0.00 S ATOM 0 H CYS A 340 -12.165 1.801 -3.043 1.00 0.00 H new ATOM 0 HA CYS A 340 -13.945 0.922 -5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.572 -0.382 -3.655 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.373 -1.064 -5.057 1.00 0.00 H new ATOM 693 N LEU A 341 -14.382 -0.362 -2.117 1.00 0.00 N ATOM 694 CA LEU A 341 -15.221 -1.243 -1.325 1.00 0.00 C ATOM 695 C LEU A 341 -16.686 -0.975 -1.616 1.00 0.00 C ATOM 696 O LEU A 341 -17.456 -1.894 -1.893 1.00 0.00 O ATOM 697 CB LEU A 341 -14.941 -1.062 0.163 1.00 0.00 C ATOM 698 CG LEU A 341 -14.110 -2.160 0.838 1.00 0.00 C ATOM 699 CD1 LEU A 341 -14.549 -3.536 0.378 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.633 -1.956 0.575 1.00 0.00 C ATOM 0 H LEU A 341 -13.831 0.299 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.988 -2.273 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -14.427 -0.111 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -15.896 -0.987 0.684 1.00 0.00 H new ATOM 0 HG LEU A 341 -14.279 -2.093 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -13.943 -4.295 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -15.598 -3.687 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -14.422 -3.616 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -12.064 -2.747 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -12.447 -1.985 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -12.323 -0.989 0.970 1.00 0.00 H new ATOM 712 N GLN A 342 -17.063 0.291 -1.547 1.00 0.00 N ATOM 713 CA GLN A 342 -18.434 0.692 -1.822 1.00 0.00 C ATOM 714 C GLN A 342 -18.784 0.415 -3.277 1.00 0.00 C ATOM 715 O GLN A 342 -19.929 0.105 -3.605 1.00 0.00 O ATOM 716 CB GLN A 342 -18.613 2.172 -1.516 1.00 0.00 C ATOM 717 CG GLN A 342 -17.772 2.651 -0.345 1.00 0.00 C ATOM 718 CD GLN A 342 -18.366 2.273 0.997 1.00 0.00 C ATOM 719 OE1 GLN A 342 -19.034 1.247 1.127 1.00 0.00 O ATOM 720 NE2 GLN A 342 -18.124 3.102 2.005 1.00 0.00 N ATOM 0 H GLN A 342 -16.439 1.060 -1.303 1.00 0.00 H new ATOM 0 HA GLN A 342 -19.103 0.113 -1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 342 -18.354 2.753 -2.401 1.00 0.00 H new ATOM 0 HB3 GLN A 342 -19.664 2.367 -1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 342 -16.770 2.229 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 342 -17.666 3.735 -0.398 1.00 0.00 H new ATOM 0 HE21 GLN A 342 -17.565 3.941 1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 342 -18.497 2.900 2.933 1.00 0.00 H new ATOM 729 N ALA A 343 -17.785 0.532 -4.146 1.00 0.00 N ATOM 730 CA ALA A 343 -17.974 0.288 -5.569 1.00 0.00 C ATOM 731 C ALA A 343 -18.279 -1.182 -5.834 1.00 0.00 C ATOM 732 O ALA A 343 -19.060 -1.515 -6.725 1.00 0.00 O ATOM 733 CB ALA A 343 -16.741 0.725 -6.344 1.00 0.00 C ATOM 0 H ALA A 343 -16.834 0.795 -3.887 1.00 0.00 H new ATOM 0 HA ALA A 343 -18.828 0.875 -5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 343 -16.894 0.538 -7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 343 -16.569 1.789 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 343 -15.875 0.162 -5.997 1.00 0.00 H new ATOM 739 N THR A 344 -17.656 -2.058 -5.051 1.00 0.00 N ATOM 740 CA THR A 344 -17.862 -3.494 -5.187 1.00 0.00 C ATOM 741 C THR A 344 -17.886 -4.167 -3.812 1.00 0.00 C ATOM 742 O THR A 344 -18.823 -3.965 -3.040 1.00 0.00 O ATOM 743 CB THR A 344 -16.778 -4.139 -6.072 1.00 0.00 C ATOM 744 OG1 THR A 344 -16.565 -3.345 -7.244 1.00 0.00 O ATOM 745 CG2 THR A 344 -17.179 -5.549 -6.481 1.00 0.00 C ATOM 0 H THR A 344 -17.002 -1.796 -4.313 1.00 0.00 H new ATOM 0 HA THR A 344 -18.827 -3.642 -5.672 1.00 0.00 H new ATOM 0 HB THR A 344 -15.856 -4.192 -5.494 1.00 0.00 H new ATOM 0 HG1 THR A 344 -15.874 -3.761 -7.800 1.00 0.00 H new ATOM 0 HG21 THR A 344 -16.398 -5.983 -7.105 1.00 0.00 H new ATOM 0 HG22 THR A 344 -17.314 -6.162 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 344 -18.113 -5.513 -7.042 1.00 0.00 H new ATOM 753 N VAL A 345 -16.862 -4.967 -3.504 1.00 0.00 N ATOM 754 CA VAL A 345 -16.787 -5.645 -2.210 1.00 0.00 C ATOM 755 C VAL A 345 -15.336 -5.864 -1.788 1.00 0.00 C ATOM 756 O VAL A 345 -14.412 -5.351 -2.417 1.00 0.00 O ATOM 757 CB VAL A 345 -17.509 -7.011 -2.215 1.00 0.00 C ATOM 758 CG1 VAL A 345 -18.258 -7.218 -0.909 1.00 0.00 C ATOM 759 CG2 VAL A 345 -18.451 -7.142 -3.399 1.00 0.00 C ATOM 0 H VAL A 345 -16.079 -5.159 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 345 -17.289 -4.989 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 345 -16.751 -7.788 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 345 -18.762 -8.185 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 345 -17.554 -7.192 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 345 -18.997 -6.426 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 345 -18.940 -8.115 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 345 -19.204 -6.356 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 345 -17.885 -7.049 -4.326 1.00 0.00 H new ATOM 769 N GLN A 346 -15.145 -6.628 -0.715 1.00 0.00 N ATOM 770 CA GLN A 346 -13.807 -6.918 -0.205 1.00 0.00 C ATOM 771 C GLN A 346 -13.084 -7.907 -1.114 1.00 0.00 C ATOM 772 O GLN A 346 -13.716 -8.621 -1.893 1.00 0.00 O ATOM 773 CB GLN A 346 -13.894 -7.480 1.219 1.00 0.00 C ATOM 774 CG GLN A 346 -12.544 -7.630 1.908 1.00 0.00 C ATOM 775 CD GLN A 346 -12.663 -8.237 3.291 1.00 0.00 C ATOM 776 OE1 GLN A 346 -13.562 -9.036 3.556 1.00 0.00 O ATOM 777 NE2 GLN A 346 -11.756 -7.860 4.184 1.00 0.00 N ATOM 0 H GLN A 346 -15.901 -7.058 -0.181 1.00 0.00 H new ATOM 0 HA GLN A 346 -13.239 -5.988 -0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 346 -14.526 -6.826 1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 346 -14.384 -8.453 1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 346 -11.894 -8.255 1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 346 -12.068 -6.653 1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 346 -11.028 -7.195 3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 346 -11.787 -8.235 5.132 1.00 0.00 H new ATOM 786 N GLU A 347 -11.757 -7.940 -1.010 1.00 0.00 N ATOM 787 CA GLU A 347 -10.940 -8.841 -1.817 1.00 0.00 C ATOM 788 C GLU A 347 -11.160 -8.589 -3.306 1.00 0.00 C ATOM 789 O GLU A 347 -10.424 -7.760 -3.880 1.00 0.00 O ATOM 790 CB GLU A 347 -11.261 -10.299 -1.475 1.00 0.00 C ATOM 791 CG GLU A 347 -10.442 -11.308 -2.264 1.00 0.00 C ATOM 792 CD GLU A 347 -10.791 -12.741 -1.914 1.00 0.00 C ATOM 793 OE1 GLU A 347 -11.831 -13.234 -2.399 1.00 0.00 O ATOM 794 OE2 GLU A 347 -10.026 -13.370 -1.154 1.00 0.00 O ATOM 795 OXT GLU A 347 -12.066 -9.224 -3.888 1.00 0.00 O ATOM 0 H GLU A 347 -11.224 -7.350 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 347 -9.892 -8.647 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 347 -11.090 -10.459 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 347 -12.320 -10.481 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 347 -10.604 -11.148 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 347 -9.382 -11.139 -2.074 1.00 0.00 H new TER 802 GLU A 347 ATOM 803 N ALA B 1 -1.710 -8.235 0.251 1.00 0.00 N ATOM 804 CA ALA B 1 -1.771 -7.065 -0.663 1.00 0.00 C ATOM 805 C ALA B 1 -0.372 -6.580 -1.032 1.00 0.00 C ATOM 806 O ALA B 1 0.616 -6.967 -0.407 1.00 0.00 O ATOM 807 CB ALA B 1 -2.581 -5.942 -0.031 1.00 0.00 C ATOM 0 H1 ALA B 1 -2.210 -9.039 -0.180 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.717 -8.494 0.417 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.160 -7.992 1.156 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.267 -7.378 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -2.617 -5.092 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.594 -6.291 0.167 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.113 -5.638 0.905 1.00 0.00 H new ATOM 815 N ARG B 2 -0.297 -5.733 -2.055 1.00 0.00 N ATOM 816 CA ARG B 2 0.981 -5.198 -2.521 1.00 0.00 C ATOM 817 C ARG B 2 1.357 -3.927 -1.770 1.00 0.00 C ATOM 818 O ARG B 2 1.016 -2.825 -2.197 1.00 0.00 O ATOM 819 CB ARG B 2 0.915 -4.898 -4.018 1.00 0.00 C ATOM 820 CG ARG B 2 0.582 -6.110 -4.872 1.00 0.00 C ATOM 821 CD ARG B 2 0.268 -5.711 -6.305 1.00 0.00 C ATOM 822 NE ARG B 2 0.106 -6.875 -7.172 1.00 0.00 N ATOM 823 CZ ARG B 2 -1.044 -7.214 -7.747 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.134 -6.488 -7.540 1.00 0.00 N ATOM 825 NH2 ARG B 2 -1.104 -8.284 -8.527 1.00 0.00 N ATOM 0 H ARG B 2 -1.107 -5.401 -2.579 1.00 0.00 H new ATOM 0 HA ARG B 2 1.743 -5.953 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG B 2 0.166 -4.126 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG B 2 1.873 -4.490 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG B 2 1.421 -6.805 -4.862 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -0.272 -6.635 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.644 -5.115 -6.324 1.00 0.00 H new ATOM 0 HD3 ARG B 2 1.069 -5.080 -6.690 1.00 0.00 H new ATOM 0 HE ARG B 2 0.922 -7.462 -7.346 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -2.092 -5.666 -6.938 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.014 -6.752 -7.983 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.268 -8.847 -8.686 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.986 -8.545 -8.968 1.00 0.00 H new ATOM 839 N THR B 3 2.063 -4.081 -0.656 1.00 0.00 N ATOM 840 CA THR B 3 2.487 -2.931 0.133 1.00 0.00 C ATOM 841 C THR B 3 4.006 -2.782 0.086 1.00 0.00 C ATOM 842 O THR B 3 4.742 -3.597 0.645 1.00 0.00 O ATOM 843 CB THR B 3 2.008 -3.029 1.600 1.00 0.00 C ATOM 844 OG1 THR B 3 3.028 -3.605 2.425 1.00 0.00 O ATOM 845 CG2 THR B 3 0.746 -3.871 1.696 1.00 0.00 C ATOM 0 H THR B 3 2.352 -4.984 -0.281 1.00 0.00 H new ATOM 0 HA THR B 3 2.026 -2.047 -0.308 1.00 0.00 H new ATOM 0 HB THR B 3 1.791 -2.020 1.950 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.630 -4.146 1.872 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.425 -3.928 2.736 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.042 -3.415 1.097 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.949 -4.875 1.324 1.00 0.00 H new ATOM 853 N LYS B 4 4.470 -1.743 -0.601 1.00 0.00 N ATOM 854 CA LYS B 4 5.902 -1.489 -0.738 1.00 0.00 C ATOM 855 C LYS B 4 6.341 -0.308 0.123 1.00 0.00 C ATOM 856 O LYS B 4 5.511 0.403 0.690 1.00 0.00 O ATOM 857 CB LYS B 4 6.256 -1.227 -2.205 1.00 0.00 C ATOM 858 CG LYS B 4 5.301 -0.269 -2.903 1.00 0.00 C ATOM 859 CD LYS B 4 5.971 0.452 -4.058 1.00 0.00 C ATOM 860 CE LYS B 4 7.048 1.411 -3.576 1.00 0.00 C ATOM 861 NZ LYS B 4 7.668 2.162 -4.703 1.00 0.00 N ATOM 0 H LYS B 4 3.875 -1.062 -1.073 1.00 0.00 H new ATOM 0 HA LYS B 4 6.433 -2.376 -0.393 1.00 0.00 H new ATOM 0 HB2 LYS B 4 7.267 -0.822 -2.259 1.00 0.00 H new ATOM 0 HB3 LYS B 4 6.263 -2.175 -2.743 1.00 0.00 H new ATOM 0 HG2 LYS B 4 4.437 -0.821 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS B 4 4.930 0.462 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS B 4 6.412 -0.279 -4.736 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.222 1.003 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS B 4 6.615 2.115 -2.865 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.819 0.854 -3.044 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 8.495 2.689 -4.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 7.968 1.494 -5.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 6.975 2.828 -5.099 1.00 0.00 H new ATOM 875 N GLN B 5 7.654 -0.107 0.214 1.00 0.00 N ATOM 876 CA GLN B 5 8.212 0.985 1.007 1.00 0.00 C ATOM 877 C GLN B 5 8.725 2.104 0.104 1.00 0.00 C ATOM 878 O GLN B 5 9.922 2.195 -0.173 1.00 0.00 O ATOM 879 CB GLN B 5 9.345 0.466 1.897 1.00 0.00 C ATOM 880 CG GLN B 5 9.823 1.474 2.929 1.00 0.00 C ATOM 881 CD GLN B 5 10.963 0.944 3.777 1.00 0.00 C ATOM 882 OE1 GLN B 5 11.773 0.139 3.316 1.00 0.00 O ATOM 883 NE2 GLN B 5 11.030 1.390 5.026 1.00 0.00 N ATOM 0 H GLN B 5 8.352 -0.687 -0.252 1.00 0.00 H new ATOM 0 HA GLN B 5 7.420 1.389 1.638 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.008 -0.434 2.411 1.00 0.00 H new ATOM 0 HB3 GLN B 5 10.187 0.178 1.267 1.00 0.00 H new ATOM 0 HG2 GLN B 5 10.145 2.383 2.421 1.00 0.00 H new ATOM 0 HG3 GLN B 5 8.990 1.748 3.577 1.00 0.00 H new ATOM 0 HE21 GLN B 5 10.338 2.057 5.367 1.00 0.00 H new ATOM 0 HE22 GLN B 5 11.774 1.066 5.644 1.00 0.00 H new ATOM 892 N THR B 6 7.809 2.952 -0.352 1.00 0.00 N ATOM 893 CA THR B 6 8.156 4.069 -1.224 1.00 0.00 C ATOM 894 C THR B 6 9.043 5.082 -0.507 1.00 0.00 C ATOM 895 O THR B 6 8.989 5.217 0.715 1.00 0.00 O ATOM 896 CB THR B 6 6.894 4.791 -1.732 1.00 0.00 C ATOM 897 OG1 THR B 6 7.262 5.891 -2.573 1.00 0.00 O ATOM 898 CG2 THR B 6 6.058 5.296 -0.565 1.00 0.00 C ATOM 0 H THR B 6 6.815 2.886 -0.131 1.00 0.00 H new ATOM 0 HA THR B 6 8.701 3.648 -2.069 1.00 0.00 H new ATOM 0 HB THR B 6 6.300 4.080 -2.306 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.675 6.654 -2.389 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.171 5.803 -0.945 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.756 4.454 0.057 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.648 5.994 0.030 1.00 0.00 H new ATOM 906 N ALA B 7 9.858 5.794 -1.281 1.00 0.00 N ATOM 907 CA ALA B 7 10.754 6.804 -0.730 1.00 0.00 C ATOM 908 C ALA B 7 10.748 8.063 -1.593 1.00 0.00 C ATOM 909 O ALA B 7 11.783 8.479 -2.115 1.00 0.00 O ATOM 910 CB ALA B 7 12.166 6.248 -0.609 1.00 0.00 C ATOM 0 H ALA B 7 9.916 5.689 -2.294 1.00 0.00 H new ATOM 0 HA ALA B 7 10.398 7.072 0.265 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.824 7.013 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA B 7 12.160 5.380 0.050 1.00 0.00 H new ATOM 0 HB3 ALA B 7 12.526 5.952 -1.594 1.00 0.00 H new ATOM 916 N ARG B 8 9.571 8.662 -1.736 1.00 0.00 N ATOM 917 CA ARG B 8 9.415 9.872 -2.538 1.00 0.00 C ATOM 918 C ARG B 8 9.760 11.118 -1.726 1.00 0.00 C ATOM 919 O ARG B 8 10.750 11.794 -2.003 1.00 0.00 O ATOM 920 CB ARG B 8 7.984 9.968 -3.066 1.00 0.00 C ATOM 921 CG ARG B 8 7.631 8.873 -4.061 1.00 0.00 C ATOM 922 CD ARG B 8 7.818 9.344 -5.495 1.00 0.00 C ATOM 923 NE ARG B 8 6.899 10.427 -5.833 1.00 0.00 N ATOM 924 CZ ARG B 8 5.581 10.275 -5.910 1.00 0.00 C ATOM 925 NH1 ARG B 8 5.039 9.080 -5.723 1.00 0.00 N ATOM 926 NH2 ARG B 8 4.805 11.314 -6.186 1.00 0.00 N ATOM 0 H ARG B 8 8.708 8.329 -1.306 1.00 0.00 H new ATOM 0 HA ARG B 8 10.105 9.815 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG B 8 7.291 9.922 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG B 8 7.845 10.939 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG B 8 8.256 7.999 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.597 8.562 -3.911 1.00 0.00 H new ATOM 0 HD2 ARG B 8 8.845 9.681 -5.636 1.00 0.00 H new ATOM 0 HD3 ARG B 8 7.661 8.508 -6.176 1.00 0.00 H new ATOM 0 HE ARG B 8 7.290 11.350 -6.020 1.00 0.00 H new ATOM 0 HH11 ARG B 8 5.634 8.276 -5.520 1.00 0.00 H new ATOM 0 HH12 ARG B 8 4.027 8.964 -5.782 1.00 0.00 H new ATOM 0 HH21 ARG B 8 5.219 12.233 -6.340 1.00 0.00 H new ATOM 0 HH22 ARG B 8 3.794 11.194 -6.244 1.00 0.00 H new ATOM 940 N LYS B 9 8.936 11.415 -0.725 1.00 0.00 N ATOM 941 CA LYS B 9 9.154 12.582 0.123 1.00 0.00 C ATOM 942 C LYS B 9 10.314 12.347 1.086 1.00 0.00 C ATOM 943 O LYS B 9 10.963 13.293 1.534 1.00 0.00 O ATOM 944 CB LYS B 9 7.882 12.916 0.906 1.00 0.00 C ATOM 945 CG LYS B 9 8.027 14.127 1.817 1.00 0.00 C ATOM 946 CD LYS B 9 6.709 14.494 2.483 1.00 0.00 C ATOM 947 CE LYS B 9 5.847 15.369 1.585 1.00 0.00 C ATOM 948 NZ LYS B 9 5.435 14.666 0.338 1.00 0.00 N ATOM 0 H LYS B 9 8.113 10.864 -0.482 1.00 0.00 H new ATOM 0 HA LYS B 9 9.406 13.425 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS B 9 7.069 13.096 0.202 1.00 0.00 H new ATOM 0 HB3 LYS B 9 7.598 12.052 1.507 1.00 0.00 H new ATOM 0 HG2 LYS B 9 8.775 13.919 2.582 1.00 0.00 H new ATOM 0 HG3 LYS B 9 8.391 14.976 1.238 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.164 13.585 2.736 1.00 0.00 H new ATOM 0 HD3 LYS B 9 6.908 15.017 3.418 1.00 0.00 H new ATOM 0 HE2 LYS B 9 4.959 15.684 2.133 1.00 0.00 H new ATOM 0 HE3 LYS B 9 6.398 16.273 1.325 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 4.538 15.064 -0.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 6.169 14.789 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 5.311 13.653 0.536 1.00 0.00 H new ATOM 962 N SER B 10 10.569 11.082 1.399 1.00 0.00 N ATOM 963 CA SER B 10 11.653 10.724 2.307 1.00 0.00 C ATOM 964 C SER B 10 13.003 11.123 1.723 1.00 0.00 C ATOM 965 O SER B 10 13.741 11.907 2.319 1.00 0.00 O ATOM 966 CB SER B 10 11.630 9.222 2.595 1.00 0.00 C ATOM 967 OG SER B 10 12.671 8.857 3.484 1.00 0.00 O ATOM 0 H SER B 10 10.041 10.288 1.038 1.00 0.00 H new ATOM 0 HA SER B 10 11.507 11.267 3.241 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.667 8.946 3.025 1.00 0.00 H new ATOM 0 HB3 SER B 10 11.733 8.668 1.662 1.00 0.00 H new ATOM 0 HG SER B 10 12.633 7.892 3.653 1.00 0.00 H new ATOM 973 N THR B 11 13.319 10.578 0.553 1.00 0.00 N ATOM 974 CA THR B 11 14.579 10.874 -0.115 1.00 0.00 C ATOM 975 C THR B 11 14.346 11.670 -1.395 1.00 0.00 C ATOM 976 O THR B 11 13.535 11.285 -2.238 1.00 0.00 O ATOM 977 CB THR B 11 15.350 9.585 -0.455 1.00 0.00 C ATOM 978 OG1 THR B 11 15.537 8.799 0.729 1.00 0.00 O ATOM 979 CG2 THR B 11 16.704 9.905 -1.073 1.00 0.00 C ATOM 0 H THR B 11 12.718 9.928 0.048 1.00 0.00 H new ATOM 0 HA THR B 11 15.174 11.470 0.577 1.00 0.00 H new ATOM 0 HB THR B 11 14.763 9.021 -1.180 1.00 0.00 H new ATOM 0 HG1 THR B 11 16.026 7.980 0.504 1.00 0.00 H new ATOM 0 HG21 THR B 11 17.227 8.977 -1.303 1.00 0.00 H new ATOM 0 HG22 THR B 11 16.560 10.477 -1.989 1.00 0.00 H new ATOM 0 HG23 THR B 11 17.296 10.490 -0.369 1.00 0.00 H new ATOM 987 N GLY B 12 15.060 12.783 -1.533 1.00 0.00 N ATOM 988 CA GLY B 12 14.918 13.617 -2.712 1.00 0.00 C ATOM 989 C GLY B 12 16.217 14.294 -3.104 1.00 0.00 C ATOM 990 O GLY B 12 16.719 15.154 -2.378 1.00 0.00 O ATOM 0 H GLY B 12 15.735 13.122 -0.848 1.00 0.00 H new ATOM 0 HA2 GLY B 12 14.564 13.008 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY B 12 14.158 14.376 -2.527 1.00 0.00 H new ATOM 994 N GLY B 13 16.761 13.907 -4.254 1.00 0.00 N ATOM 995 CA GLY B 13 18.003 14.493 -4.721 1.00 0.00 C ATOM 996 C GLY B 13 18.842 13.515 -5.521 1.00 0.00 C ATOM 997 O GLY B 13 18.351 12.886 -6.459 1.00 0.00 O ATOM 0 H GLY B 13 16.363 13.198 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY B 13 17.781 15.365 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY B 13 18.579 14.846 -3.865 1.00 0.00 H new ATOM 1001 N LYS B 14 20.111 13.385 -5.146 1.00 0.00 N ATOM 1002 CA LYS B 14 21.028 12.480 -5.831 1.00 0.00 C ATOM 1003 C LYS B 14 20.756 11.029 -5.441 1.00 0.00 C ATOM 1004 O LYS B 14 20.744 10.142 -6.294 1.00 0.00 O ATOM 1005 CB LYS B 14 22.477 12.847 -5.503 1.00 0.00 C ATOM 1006 CG LYS B 14 23.504 12.036 -6.278 1.00 0.00 C ATOM 1007 CD LYS B 14 24.921 12.488 -5.962 1.00 0.00 C ATOM 1008 CE LYS B 14 25.948 11.704 -6.764 1.00 0.00 C ATOM 1009 NZ LYS B 14 27.338 12.158 -6.481 1.00 0.00 N ATOM 0 H LYS B 14 20.529 13.897 -4.369 1.00 0.00 H new ATOM 0 HA LYS B 14 20.868 12.583 -6.904 1.00 0.00 H new ATOM 0 HB2 LYS B 14 22.630 13.906 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS B 14 22.646 12.705 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS B 14 23.395 10.979 -6.034 1.00 0.00 H new ATOM 0 HG3 LYS B 14 23.318 12.137 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS B 14 25.022 13.551 -6.180 1.00 0.00 H new ATOM 0 HD3 LYS B 14 25.116 12.361 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS B 14 25.858 10.643 -6.531 1.00 0.00 H new ATOM 0 HE3 LYS B 14 25.739 11.815 -7.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 28.008 11.599 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 27.432 13.164 -6.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 27.547 12.028 -5.470 1.00 0.00 H new ATOM 1023 N ALA B 15 20.538 10.799 -4.149 1.00 0.00 N ATOM 1024 CA ALA B 15 20.267 9.456 -3.645 1.00 0.00 C ATOM 1025 C ALA B 15 21.363 8.478 -4.067 1.00 0.00 C ATOM 1026 O ALA B 15 21.170 7.674 -4.980 1.00 0.00 O ATOM 1027 CB ALA B 15 18.907 8.974 -4.131 1.00 0.00 C ATOM 0 H ALA B 15 20.544 11.525 -3.432 1.00 0.00 H new ATOM 0 HA ALA B 15 20.256 9.498 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA B 15 18.718 7.971 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA B 15 18.132 9.651 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA B 15 18.896 8.954 -5.221 1.00 0.00 H new ATOM 1033 N PRO B 16 22.537 8.539 -3.407 1.00 0.00 N ATOM 1034 CA PRO B 16 23.669 7.656 -3.718 1.00 0.00 C ATOM 1035 C PRO B 16 23.337 6.183 -3.497 1.00 0.00 C ATOM 1036 O PRO B 16 23.242 5.724 -2.358 1.00 0.00 O ATOM 1037 CB PRO B 16 24.763 8.107 -2.740 1.00 0.00 C ATOM 1038 CG PRO B 16 24.355 9.470 -2.299 1.00 0.00 C ATOM 1039 CD PRO B 16 22.855 9.471 -2.312 1.00 0.00 C ATOM 0 HA PRO B 16 23.960 7.730 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO B 16 24.839 7.425 -1.893 1.00 0.00 H new ATOM 0 HB3 PRO B 16 25.740 8.125 -3.223 1.00 0.00 H new ATOM 0 HG2 PRO B 16 24.738 9.690 -1.302 1.00 0.00 H new ATOM 0 HG3 PRO B 16 24.753 10.233 -2.968 1.00 0.00 H new ATOM 0 HD2 PRO B 16 22.442 9.134 -1.361 1.00 0.00 H new ATOM 0 HD3 PRO B 16 22.453 10.467 -2.499 1.00 0.00 H new ATOM 1047 N ARG B 17 23.164 5.448 -4.590 1.00 0.00 N ATOM 1048 CA ARG B 17 22.849 4.026 -4.513 1.00 0.00 C ATOM 1049 C ARG B 17 24.080 3.184 -4.830 1.00 0.00 C ATOM 1050 O ARG B 17 24.591 2.464 -3.972 1.00 0.00 O ATOM 1051 CB ARG B 17 21.716 3.674 -5.480 1.00 0.00 C ATOM 1052 CG ARG B 17 21.227 2.240 -5.345 1.00 0.00 C ATOM 1053 CD ARG B 17 20.208 1.893 -6.418 1.00 0.00 C ATOM 1054 NE ARG B 17 19.686 0.539 -6.257 1.00 0.00 N ATOM 1055 CZ ARG B 17 19.113 -0.152 -7.237 1.00 0.00 C ATOM 1056 NH1 ARG B 17 18.993 0.380 -8.447 1.00 0.00 N ATOM 1057 NH2 ARG B 17 18.659 -1.377 -7.011 1.00 0.00 N ATOM 0 H ARG B 17 23.237 5.813 -5.540 1.00 0.00 H new ATOM 0 HA ARG B 17 22.526 3.806 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG B 17 20.880 4.352 -5.310 1.00 0.00 H new ATOM 0 HB3 ARG B 17 22.057 3.839 -6.502 1.00 0.00 H new ATOM 0 HG2 ARG B 17 22.075 1.558 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG B 17 20.782 2.098 -4.360 1.00 0.00 H new ATOM 0 HD2 ARG B 17 19.385 2.606 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG B 17 20.669 1.990 -7.401 1.00 0.00 H new ATOM 0 HE ARG B 17 19.766 0.098 -5.340 1.00 0.00 H new ATOM 0 HH11 ARG B 17 19.341 1.322 -8.627 1.00 0.00 H new ATOM 0 HH12 ARG B 17 18.553 -0.153 -9.197 1.00 0.00 H new ATOM 0 HH21 ARG B 17 18.749 -1.791 -6.083 1.00 0.00 H new ATOM 0 HH22 ARG B 17 18.220 -1.905 -7.765 1.00 0.00 H new ATOM 1071 N LYS B 18 24.551 3.278 -6.071 1.00 0.00 N ATOM 1072 CA LYS B 18 25.725 2.529 -6.502 1.00 0.00 C ATOM 1073 C LYS B 18 26.579 3.363 -7.456 1.00 0.00 C ATOM 1074 O LYS B 18 26.919 2.921 -8.554 1.00 0.00 O ATOM 1075 CB LYS B 18 25.300 1.217 -7.170 1.00 0.00 C ATOM 1076 CG LYS B 18 26.448 0.243 -7.387 1.00 0.00 C ATOM 1077 CD LYS B 18 25.941 -1.135 -7.783 1.00 0.00 C ATOM 1078 CE LYS B 18 27.088 -2.111 -7.991 1.00 0.00 C ATOM 1079 NZ LYS B 18 26.600 -3.491 -8.269 1.00 0.00 N ATOM 0 H LYS B 18 24.137 3.866 -6.795 1.00 0.00 H new ATOM 0 HA LYS B 18 26.327 2.295 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS B 18 24.538 0.737 -6.556 1.00 0.00 H new ATOM 0 HB3 LYS B 18 24.839 1.442 -8.132 1.00 0.00 H new ATOM 0 HG2 LYS B 18 27.110 0.626 -8.164 1.00 0.00 H new ATOM 0 HG3 LYS B 18 27.039 0.166 -6.474 1.00 0.00 H new ATOM 0 HD2 LYS B 18 25.274 -1.515 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS B 18 25.355 -1.059 -8.699 1.00 0.00 H new ATOM 0 HE2 LYS B 18 27.708 -1.771 -8.821 1.00 0.00 H new ATOM 0 HE3 LYS B 18 27.721 -2.122 -7.104 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 27.413 -4.126 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 26.029 -3.826 -7.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 26.017 -3.486 -9.130 1.00 0.00 H new ATOM 1093 N GLN B 19 26.917 4.576 -7.023 1.00 0.00 N ATOM 1094 CA GLN B 19 27.734 5.487 -7.821 1.00 0.00 C ATOM 1095 C GLN B 19 27.069 5.804 -9.159 1.00 0.00 C ATOM 1096 O GLN B 19 26.296 6.757 -9.266 1.00 0.00 O ATOM 1097 CB GLN B 19 29.127 4.894 -8.052 1.00 0.00 C ATOM 1098 CG GLN B 19 30.074 5.826 -8.789 1.00 0.00 C ATOM 1099 CD GLN B 19 31.419 5.188 -9.072 1.00 0.00 C ATOM 1100 OE1 GLN B 19 32.346 5.280 -8.266 1.00 0.00 O ATOM 1101 NE2 GLN B 19 31.534 4.534 -10.223 1.00 0.00 N ATOM 0 H GLN B 19 26.635 4.952 -6.118 1.00 0.00 H new ATOM 0 HA GLN B 19 27.833 6.419 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN B 19 29.565 4.633 -7.089 1.00 0.00 H new ATOM 0 HB3 GLN B 19 29.028 3.968 -8.619 1.00 0.00 H new ATOM 0 HG2 GLN B 19 29.617 6.133 -9.730 1.00 0.00 H new ATOM 0 HG3 GLN B 19 30.222 6.729 -8.197 1.00 0.00 H new ATOM 0 HE21 GLN B 19 30.740 4.482 -10.862 1.00 0.00 H new ATOM 0 HE22 GLN B 19 32.416 4.084 -10.468 1.00 0.00 H new ATOM 1110 N LEU B 20 27.370 5.002 -10.176 1.00 0.00 N ATOM 1111 CA LEU B 20 26.802 5.202 -11.505 1.00 0.00 C ATOM 1112 C LEU B 20 26.174 3.915 -12.027 1.00 0.00 C ATOM 1113 O LEU B 20 26.848 2.893 -12.162 1.00 0.00 O ATOM 1114 CB LEU B 20 27.881 5.688 -12.478 1.00 0.00 C ATOM 1115 CG LEU B 20 28.443 7.081 -12.185 1.00 0.00 C ATOM 1116 CD1 LEU B 20 29.630 7.377 -13.089 1.00 0.00 C ATOM 1117 CD2 LEU B 20 27.365 8.141 -12.360 1.00 0.00 C ATOM 0 H LEU B 20 28.005 4.207 -10.105 1.00 0.00 H new ATOM 0 HA LEU B 20 26.023 5.961 -11.429 1.00 0.00 H new ATOM 0 HB2 LEU B 20 28.704 4.973 -12.470 1.00 0.00 H new ATOM 0 HB3 LEU B 20 27.466 5.686 -13.486 1.00 0.00 H new ATOM 0 HG LEU B 20 28.782 7.103 -11.149 1.00 0.00 H new ATOM 0 HD11 LEU B 20 30.017 8.371 -12.867 1.00 0.00 H new ATOM 0 HD12 LEU B 20 30.411 6.637 -12.917 1.00 0.00 H new ATOM 0 HD13 LEU B 20 29.313 7.335 -14.131 1.00 0.00 H new ATOM 0 HD21 LEU B 20 27.784 9.125 -12.147 1.00 0.00 H new ATOM 0 HD22 LEU B 20 26.995 8.118 -13.385 1.00 0.00 H new ATOM 0 HD23 LEU B 20 26.543 7.941 -11.673 1.00 0.00 H new ATOM 1129 N CYS B 21 24.879 3.973 -12.320 1.00 0.00 N ATOM 1130 CA CYS B 21 24.157 2.813 -12.828 1.00 0.00 C ATOM 1131 C CYS B 21 24.412 2.621 -14.321 1.00 0.00 C ATOM 1132 O CYS B 21 23.700 3.252 -15.130 1.00 0.00 O ATOM 1133 CB CYS B 21 22.656 2.963 -12.564 1.00 0.00 C ATOM 1134 SG CYS B 21 21.958 4.536 -13.123 1.00 0.00 S ATOM 1135 OXT CYS B 21 25.325 1.842 -14.669 1.00 0.00 O ATOM 0 H CYS B 21 24.308 4.812 -12.214 1.00 0.00 H new ATOM 0 HA CYS B 21 24.522 1.930 -12.303 1.00 0.00 H new ATOM 0 HB2 CYS B 21 22.128 2.148 -13.059 1.00 0.00 H new ATOM 0 HB3 CYS B 21 22.474 2.857 -11.494 1.00 0.00 H new ATOM 0 HG CYS B 21 22.393 4.803 -14.319 1.00 0.00 H new TER 1141 CYS B 21 HETATM 1142 ZN ZN A 401 -0.742 8.209 5.317 1.00 0.00 ZN HETATM 1143 ZN ZN A 501 -9.184 1.528 -4.479 1.00 0.00 ZN