USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 474 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 Single : A 1 THR N :NH3+ -124:sc= 0.131 (180deg=-0.021) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.739 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= -0.0166 (180deg=-0.172) USER MOD Single : A 8 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.4!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0992 X(o=-0.099,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.189) USER MOD Single : A 25 THR OG1 : rot 120:sc= -1.12 USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= -0.404 (180deg=-1.32!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -83:sc= 0.214 USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= -0.257 (180deg=-0.305) USER MOD Single : A 50 LYS NZ :NH3+ -114:sc= 0.0522 (180deg=-1.99) USER MOD Single : A 51 THR OG1 : rot 75:sc= 0.0941 USER MOD Single : A 53 THR OG1 : rot 38:sc= 0.00816 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -12.734 17.121 -4.365 1.00 0.00 N ATOM 2 CA THR A 1 -12.158 17.382 -5.710 1.00 0.00 C ATOM 3 C THR A 1 -10.770 18.005 -5.605 1.00 0.00 C ATOM 4 O THR A 1 -10.446 18.948 -6.326 1.00 0.00 O ATOM 5 CB THR A 1 -13.101 18.318 -6.470 1.00 0.00 C ATOM 6 OG1 THR A 1 -13.750 19.206 -5.578 1.00 0.00 O ATOM 7 CG2 THR A 1 -14.173 17.584 -7.247 1.00 0.00 C ATOM 0 H1 THR A 1 -12.988 16.116 -4.285 1.00 0.00 H new ATOM 0 H2 THR A 1 -12.033 17.360 -3.635 1.00 0.00 H new ATOM 0 H3 THR A 1 -13.584 17.705 -4.232 1.00 0.00 H new ATOM 0 HA THR A 1 -12.053 16.437 -6.244 1.00 0.00 H new ATOM 0 HB THR A 1 -12.468 18.857 -7.175 1.00 0.00 H new ATOM 0 HG1 THR A 1 -14.347 19.797 -6.082 1.00 0.00 H new ATOM 0 HG21 THR A 1 -14.807 18.305 -7.762 1.00 0.00 H new ATOM 0 HG22 THR A 1 -13.705 16.924 -7.978 1.00 0.00 H new ATOM 0 HG23 THR A 1 -14.780 16.993 -6.561 1.00 0.00 H new ATOM 17 N THR A 2 -9.954 17.470 -4.703 1.00 0.00 N ATOM 18 CA THR A 2 -8.600 17.973 -4.505 1.00 0.00 C ATOM 19 C THR A 2 -7.728 16.934 -3.807 1.00 0.00 C ATOM 20 O THR A 2 -8.154 16.295 -2.846 1.00 0.00 O ATOM 21 CB THR A 2 -8.630 19.265 -3.685 1.00 0.00 C ATOM 22 OG1 THR A 2 -9.814 19.998 -3.945 1.00 0.00 O ATOM 23 CG2 THR A 2 -7.454 20.177 -3.964 1.00 0.00 C ATOM 0 H THR A 2 -10.207 16.689 -4.098 1.00 0.00 H new ATOM 0 HA THR A 2 -8.170 18.181 -5.485 1.00 0.00 H new ATOM 0 HB THR A 2 -8.584 18.947 -2.643 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.814 20.819 -3.410 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.536 21.074 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.526 19.658 -3.725 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.452 20.457 -5.018 1.00 0.00 H new ATOM 31 N TYR A 3 -6.504 16.774 -4.297 1.00 0.00 N ATOM 32 CA TYR A 3 -5.569 15.814 -3.722 1.00 0.00 C ATOM 33 C TYR A 3 -4.689 16.482 -2.669 1.00 0.00 C ATOM 34 O TYR A 3 -4.718 17.701 -2.505 1.00 0.00 O ATOM 35 CB TYR A 3 -4.698 15.196 -4.817 1.00 0.00 C ATOM 36 CG TYR A 3 -5.270 13.923 -5.401 1.00 0.00 C ATOM 37 CD1 TYR A 3 -6.498 13.926 -6.051 1.00 0.00 C ATOM 38 CD2 TYR A 3 -4.582 12.721 -5.301 1.00 0.00 C ATOM 39 CE1 TYR A 3 -7.024 12.764 -6.586 1.00 0.00 C ATOM 40 CE2 TYR A 3 -5.101 11.556 -5.833 1.00 0.00 C ATOM 41 CZ TYR A 3 -6.321 11.583 -6.474 1.00 0.00 C ATOM 42 OH TYR A 3 -6.842 10.425 -7.005 1.00 0.00 O ATOM 0 H TYR A 3 -6.136 17.297 -5.092 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.146 15.023 -3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.564 15.924 -5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.710 14.986 -4.408 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.050 14.850 -6.140 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.626 12.696 -4.799 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.980 12.782 -7.089 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.554 10.629 -5.747 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.223 9.683 -6.842 1.00 0.00 H new ATOM 52 N LYS A 4 -3.906 15.676 -1.960 1.00 0.00 N ATOM 53 CA LYS A 4 -3.019 16.194 -0.923 1.00 0.00 C ATOM 54 C LYS A 4 -1.562 15.854 -1.213 1.00 0.00 C ATOM 55 O LYS A 4 -0.667 16.267 -0.480 1.00 0.00 O ATOM 56 CB LYS A 4 -3.423 15.643 0.446 1.00 0.00 C ATOM 57 CG LYS A 4 -3.278 14.135 0.562 1.00 0.00 C ATOM 58 CD LYS A 4 -4.314 13.547 1.505 1.00 0.00 C ATOM 59 CE LYS A 4 -4.112 12.053 1.695 1.00 0.00 C ATOM 60 NZ LYS A 4 -4.197 11.312 0.405 1.00 0.00 N ATOM 0 H LYS A 4 -3.867 14.664 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.117 17.280 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.813 16.118 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.459 15.917 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.383 13.681 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.278 13.891 0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.254 14.049 2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.313 13.733 1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.139 11.874 2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.865 11.670 2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.224 10.290 0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.061 11.594 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.366 11.535 -0.179 1.00 0.00 H new ATOM 74 N LEU A 5 -1.322 15.111 -2.288 1.00 0.00 N ATOM 75 CA LEU A 5 0.036 14.749 -2.656 1.00 0.00 C ATOM 76 C LEU A 5 0.691 13.913 -1.561 1.00 0.00 C ATOM 77 O LEU A 5 0.022 13.444 -0.641 1.00 0.00 O ATOM 78 CB LEU A 5 0.845 16.017 -2.911 1.00 0.00 C ATOM 79 CG LEU A 5 1.325 16.212 -4.348 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.159 16.574 -5.256 1.00 0.00 C ATOM 81 CD2 LEU A 5 2.400 17.277 -4.415 1.00 0.00 C ATOM 0 H LEU A 5 -2.044 14.752 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 5 0.008 14.147 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.238 16.877 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.714 16.011 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 5 1.754 15.272 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.520 16.709 -6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.580 15.773 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.299 17.500 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.727 17.399 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.000 18.222 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.248 16.977 -3.799 1.00 0.00 H new ATOM 93 N ILE A 6 2.004 13.735 -1.662 1.00 0.00 N ATOM 94 CA ILE A 6 2.746 12.962 -0.675 1.00 0.00 C ATOM 95 C ILE A 6 2.665 13.635 0.688 1.00 0.00 C ATOM 96 O ILE A 6 3.451 14.536 0.995 1.00 0.00 O ATOM 97 CB ILE A 6 4.231 12.793 -1.092 1.00 0.00 C ATOM 98 CG1 ILE A 6 4.393 11.862 -2.292 1.00 0.00 C ATOM 99 CG2 ILE A 6 5.054 12.261 0.063 1.00 0.00 C ATOM 100 CD1 ILE A 6 3.100 11.525 -2.960 1.00 0.00 C ATOM 0 H ILE A 6 2.575 14.115 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 6 2.294 11.972 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 6 4.588 13.782 -1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.058 12.330 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.876 10.941 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.092 12.150 -0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.000 12.958 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.663 11.292 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.289 10.861 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.441 11.029 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.626 12.439 -3.317 1.00 0.00 H new ATOM 112 N LEU A 7 1.711 13.209 1.507 1.00 0.00 N ATOM 113 CA LEU A 7 1.525 13.776 2.834 1.00 0.00 C ATOM 114 C LEU A 7 1.942 12.785 3.917 1.00 0.00 C ATOM 115 O LEU A 7 2.684 13.132 4.835 1.00 0.00 O ATOM 116 CB LEU A 7 0.063 14.181 3.032 1.00 0.00 C ATOM 117 CG LEU A 7 -0.202 15.093 4.226 1.00 0.00 C ATOM 118 CD1 LEU A 7 -0.028 14.328 5.527 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.721 16.304 4.187 1.00 0.00 C ATOM 0 H LEU A 7 1.051 12.468 1.272 1.00 0.00 H new ATOM 0 HA LEU A 7 2.158 14.660 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.284 14.682 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.536 13.277 3.145 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.232 15.446 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.221 14.993 6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.729 13.494 5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.991 13.947 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.518 16.944 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.759 15.972 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.547 16.864 3.268 1.00 0.00 H new ATOM 131 N ASN A 8 1.453 11.551 3.803 1.00 0.00 N ATOM 132 CA ASN A 8 1.776 10.518 4.781 1.00 0.00 C ATOM 133 C ASN A 8 1.897 9.151 4.118 1.00 0.00 C ATOM 134 O ASN A 8 0.988 8.324 4.207 1.00 0.00 O ATOM 135 CB ASN A 8 0.704 10.477 5.874 1.00 0.00 C ATOM 136 CG ASN A 8 1.307 10.482 7.269 1.00 0.00 C ATOM 137 OD1 ASN A 8 2.484 10.166 7.453 1.00 0.00 O ATOM 138 ND2 ASN A 8 0.501 10.842 8.262 1.00 0.00 N ATOM 0 H ASN A 8 0.837 11.246 3.049 1.00 0.00 H new ATOM 0 HA ASN A 8 2.739 10.764 5.229 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.041 11.335 5.763 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.092 9.584 5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.850 10.864 9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.467 11.096 8.066 1.00 0.00 H new ATOM 145 N LEU A 9 3.034 8.909 3.474 1.00 0.00 N ATOM 146 CA LEU A 9 3.281 7.628 2.821 1.00 0.00 C ATOM 147 C LEU A 9 3.893 6.669 3.823 1.00 0.00 C ATOM 148 O LEU A 9 3.511 5.503 3.912 1.00 0.00 O ATOM 149 CB LEU A 9 4.210 7.793 1.619 1.00 0.00 C ATOM 150 CG LEU A 9 3.525 8.244 0.329 1.00 0.00 C ATOM 151 CD1 LEU A 9 2.615 7.147 -0.200 1.00 0.00 C ATOM 152 CD2 LEU A 9 2.739 9.524 0.565 1.00 0.00 C ATOM 0 H LEU A 9 3.797 9.581 3.390 1.00 0.00 H new ATOM 0 HA LEU A 9 2.333 7.230 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.984 8.517 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.711 6.843 1.433 1.00 0.00 H new ATOM 0 HG LEU A 9 4.292 8.445 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.135 7.484 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.204 6.253 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.853 6.916 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.257 9.832 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.980 9.349 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.416 10.310 0.900 1.00 0.00 H new ATOM 164 N LYS A 10 4.840 7.195 4.590 1.00 0.00 N ATOM 165 CA LYS A 10 5.525 6.432 5.620 1.00 0.00 C ATOM 166 C LYS A 10 4.524 5.623 6.434 1.00 0.00 C ATOM 167 O LYS A 10 4.793 4.490 6.832 1.00 0.00 O ATOM 168 CB LYS A 10 6.288 7.396 6.523 1.00 0.00 C ATOM 169 CG LYS A 10 7.801 7.281 6.406 1.00 0.00 C ATOM 170 CD LYS A 10 8.375 8.383 5.534 1.00 0.00 C ATOM 171 CE LYS A 10 9.878 8.232 5.365 1.00 0.00 C ATOM 172 NZ LYS A 10 10.433 9.229 4.409 1.00 0.00 N ATOM 0 H LYS A 10 5.153 8.163 4.514 1.00 0.00 H new ATOM 0 HA LYS A 10 6.224 5.736 5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.991 8.417 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.998 7.216 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.249 7.330 7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.062 6.310 5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.894 8.363 4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.153 9.353 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.365 8.347 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.104 7.226 5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.460 9.092 4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.987 9.103 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.240 10.189 4.758 1.00 0.00 H new ATOM 186 N GLN A 11 3.358 6.219 6.657 1.00 0.00 N ATOM 187 CA GLN A 11 2.292 5.568 7.402 1.00 0.00 C ATOM 188 C GLN A 11 1.727 4.403 6.598 1.00 0.00 C ATOM 189 O GLN A 11 1.517 3.311 7.125 1.00 0.00 O ATOM 190 CB GLN A 11 1.187 6.578 7.724 1.00 0.00 C ATOM 191 CG GLN A 11 -0.060 5.953 8.333 1.00 0.00 C ATOM 192 CD GLN A 11 -0.528 6.680 9.579 1.00 0.00 C ATOM 193 OE1 GLN A 11 -1.662 7.156 9.644 1.00 0.00 O ATOM 194 NE2 GLN A 11 0.341 6.763 10.570 1.00 0.00 N ATOM 0 H GLN A 11 3.128 7.157 6.329 1.00 0.00 H new ATOM 0 HA GLN A 11 2.697 5.182 8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.581 7.325 8.413 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.909 7.102 6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.861 5.955 7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.144 4.911 8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.270 6.353 10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.084 7.237 11.436 1.00 0.00 H new ATOM 203 N ALA A 12 1.493 4.646 5.312 1.00 0.00 N ATOM 204 CA ALA A 12 0.964 3.620 4.424 1.00 0.00 C ATOM 205 C ALA A 12 1.989 2.515 4.213 1.00 0.00 C ATOM 206 O ALA A 12 1.668 1.329 4.294 1.00 0.00 O ATOM 207 CB ALA A 12 0.555 4.231 3.093 1.00 0.00 C ATOM 0 H ALA A 12 1.662 5.546 4.863 1.00 0.00 H new ATOM 0 HA ALA A 12 0.081 3.182 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.162 3.452 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.213 4.986 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.423 4.694 2.623 1.00 0.00 H new ATOM 213 N LYS A 13 3.232 2.912 3.948 1.00 0.00 N ATOM 214 CA LYS A 13 4.308 1.953 3.734 1.00 0.00 C ATOM 215 C LYS A 13 4.534 1.113 4.987 1.00 0.00 C ATOM 216 O LYS A 13 4.556 -0.118 4.929 1.00 0.00 O ATOM 217 CB LYS A 13 5.598 2.678 3.351 1.00 0.00 C ATOM 218 CG LYS A 13 5.428 3.657 2.200 1.00 0.00 C ATOM 219 CD LYS A 13 6.707 3.797 1.387 1.00 0.00 C ATOM 220 CE LYS A 13 7.265 5.210 1.459 1.00 0.00 C ATOM 221 NZ LYS A 13 7.784 5.672 0.142 1.00 0.00 N ATOM 0 H LYS A 13 3.516 3.889 3.877 1.00 0.00 H new ATOM 0 HA LYS A 13 4.019 1.291 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.975 3.215 4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.353 1.940 3.081 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.620 3.319 1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.137 4.632 2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.452 3.092 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.508 3.536 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.485 5.891 1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.066 5.246 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.155 6.639 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.546 5.038 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.014 5.662 -0.557 1.00 0.00 H new ATOM 235 N GLU A 14 4.694 1.787 6.122 1.00 0.00 N ATOM 236 CA GLU A 14 4.912 1.096 7.394 1.00 0.00 C ATOM 237 C GLU A 14 3.708 0.229 7.741 1.00 0.00 C ATOM 238 O GLU A 14 3.853 -0.866 8.287 1.00 0.00 O ATOM 239 CB GLU A 14 5.181 2.087 8.537 1.00 0.00 C ATOM 240 CG GLU A 14 5.466 1.409 9.866 1.00 0.00 C ATOM 241 CD GLU A 14 5.266 2.333 11.043 1.00 0.00 C ATOM 242 OE1 GLU A 14 4.113 2.736 11.301 1.00 0.00 O ATOM 243 OE2 GLU A 14 6.270 2.664 11.719 1.00 0.00 O ATOM 0 H GLU A 14 4.677 2.805 6.190 1.00 0.00 H new ATOM 0 HA GLU A 14 5.792 0.464 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.029 2.718 8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.318 2.744 8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.814 0.542 9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.491 1.040 9.869 1.00 0.00 H new ATOM 250 N GLU A 15 2.518 0.721 7.413 1.00 0.00 N ATOM 251 CA GLU A 15 1.289 -0.012 7.682 1.00 0.00 C ATOM 252 C GLU A 15 1.154 -1.193 6.728 1.00 0.00 C ATOM 253 O GLU A 15 0.620 -2.240 7.092 1.00 0.00 O ATOM 254 CB GLU A 15 0.076 0.910 7.550 1.00 0.00 C ATOM 255 CG GLU A 15 -1.225 0.272 8.010 1.00 0.00 C ATOM 256 CD GLU A 15 -2.093 1.226 8.807 1.00 0.00 C ATOM 257 OE1 GLU A 15 -1.533 2.126 9.467 1.00 0.00 O ATOM 258 OE2 GLU A 15 -3.332 1.072 8.772 1.00 0.00 O ATOM 0 H GLU A 15 2.380 1.625 6.960 1.00 0.00 H new ATOM 0 HA GLU A 15 1.332 -0.390 8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.253 1.815 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.027 1.215 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.781 -0.078 7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.000 -0.604 8.619 1.00 0.00 H new ATOM 265 N ALA A 16 1.648 -1.017 5.505 1.00 0.00 N ATOM 266 CA ALA A 16 1.590 -2.070 4.500 1.00 0.00 C ATOM 267 C ALA A 16 2.306 -3.323 4.991 1.00 0.00 C ATOM 268 O ALA A 16 1.764 -4.426 4.930 1.00 0.00 O ATOM 269 CB ALA A 16 2.197 -1.589 3.192 1.00 0.00 C ATOM 0 H ALA A 16 2.092 -0.155 5.188 1.00 0.00 H new ATOM 0 HA ALA A 16 0.544 -2.320 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.146 -2.387 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.643 -0.723 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.238 -1.311 3.355 1.00 0.00 H new ATOM 275 N ILE A 17 3.527 -3.143 5.488 1.00 0.00 N ATOM 276 CA ILE A 17 4.312 -4.258 6.001 1.00 0.00 C ATOM 277 C ILE A 17 3.631 -4.869 7.224 1.00 0.00 C ATOM 278 O ILE A 17 3.496 -6.087 7.336 1.00 0.00 O ATOM 279 CB ILE A 17 5.754 -3.827 6.373 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.497 -4.983 7.060 1.00 0.00 C ATOM 281 CG2 ILE A 17 5.736 -2.600 7.274 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.360 -6.294 6.323 1.00 0.00 C ATOM 0 H ILE A 17 3.992 -2.237 5.546 1.00 0.00 H new ATOM 0 HA ILE A 17 4.375 -5.001 5.206 1.00 0.00 H new ATOM 0 HB ILE A 17 6.281 -3.569 5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.554 -4.729 7.145 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.115 -5.101 8.074 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.759 -2.316 7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.246 -1.776 6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.191 -2.829 8.190 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.907 -7.071 6.858 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.307 -6.568 6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.768 -6.190 5.317 1.00 0.00 H new ATOM 294 N LYS A 18 3.198 -4.000 8.127 1.00 0.00 N ATOM 295 CA LYS A 18 2.516 -4.409 9.350 1.00 0.00 C ATOM 296 C LYS A 18 1.305 -5.264 9.023 1.00 0.00 C ATOM 297 O LYS A 18 1.127 -6.341 9.588 1.00 0.00 O ATOM 298 CB LYS A 18 2.085 -3.179 10.153 1.00 0.00 C ATOM 299 CG LYS A 18 1.337 -3.515 11.433 1.00 0.00 C ATOM 300 CD LYS A 18 2.267 -3.520 12.636 1.00 0.00 C ATOM 301 CE LYS A 18 1.950 -4.669 13.581 1.00 0.00 C ATOM 302 NZ LYS A 18 2.848 -5.835 13.357 1.00 0.00 N ATOM 0 H LYS A 18 3.309 -2.990 8.033 1.00 0.00 H new ATOM 0 HA LYS A 18 3.209 -4.999 9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.968 -2.591 10.403 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.451 -2.551 9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.540 -2.789 11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.864 -4.492 11.333 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.300 -3.600 12.298 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.178 -2.574 13.170 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.047 -4.329 14.612 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.914 -4.977 13.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.339 -6.714 13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.150 -5.854 12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.683 -5.753 13.971 1.00 0.00 H new ATOM 316 N GLU A 19 0.482 -4.792 8.090 1.00 0.00 N ATOM 317 CA GLU A 19 -0.696 -5.545 7.686 1.00 0.00 C ATOM 318 C GLU A 19 -0.264 -6.926 7.234 1.00 0.00 C ATOM 319 O GLU A 19 -0.844 -7.934 7.636 1.00 0.00 O ATOM 320 CB GLU A 19 -1.452 -4.824 6.568 1.00 0.00 C ATOM 321 CG GLU A 19 -1.993 -3.465 6.981 1.00 0.00 C ATOM 322 CD GLU A 19 -3.412 -3.538 7.512 1.00 0.00 C ATOM 323 OE1 GLU A 19 -3.600 -4.049 8.635 1.00 0.00 O ATOM 324 OE2 GLU A 19 -4.336 -3.084 6.803 1.00 0.00 O ATOM 0 H GLU A 19 0.609 -3.903 7.606 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.374 -5.633 8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.787 -4.697 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.280 -5.451 6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.345 -3.037 7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.964 -2.791 6.125 1.00 0.00 H new ATOM 331 N LEU A 20 0.797 -6.967 6.433 1.00 0.00 N ATOM 332 CA LEU A 20 1.341 -8.227 5.978 1.00 0.00 C ATOM 333 C LEU A 20 1.835 -9.013 7.184 1.00 0.00 C ATOM 334 O LEU A 20 1.748 -10.240 7.228 1.00 0.00 O ATOM 335 CB LEU A 20 2.490 -7.977 5.011 1.00 0.00 C ATOM 336 CG LEU A 20 2.430 -8.808 3.737 1.00 0.00 C ATOM 337 CD1 LEU A 20 1.619 -8.071 2.687 1.00 0.00 C ATOM 338 CD2 LEU A 20 3.831 -9.108 3.232 1.00 0.00 C ATOM 0 H LEU A 20 1.290 -6.142 6.091 1.00 0.00 H new ATOM 0 HA LEU A 20 0.569 -8.797 5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.499 -6.921 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.430 -8.184 5.522 1.00 0.00 H new ATOM 0 HG LEU A 20 1.943 -9.759 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.577 -8.667 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.608 -7.905 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.089 -7.111 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.770 -9.703 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.350 -8.173 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.380 -9.664 3.992 1.00 0.00 H new ATOM 350 N VAL A 21 2.344 -8.275 8.171 1.00 0.00 N ATOM 351 CA VAL A 21 2.850 -8.876 9.399 1.00 0.00 C ATOM 352 C VAL A 21 1.704 -9.423 10.246 1.00 0.00 C ATOM 353 O VAL A 21 1.849 -10.449 10.912 1.00 0.00 O ATOM 354 CB VAL A 21 3.676 -7.885 10.252 1.00 0.00 C ATOM 355 CG1 VAL A 21 4.288 -8.598 11.446 1.00 0.00 C ATOM 356 CG2 VAL A 21 4.759 -7.225 9.409 1.00 0.00 C ATOM 0 H VAL A 21 2.416 -7.258 8.141 1.00 0.00 H new ATOM 0 HA VAL A 21 3.509 -9.688 9.090 1.00 0.00 H new ATOM 0 HB VAL A 21 3.008 -7.106 10.620 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.866 -7.888 12.037 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.495 -9.022 12.062 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.942 -9.397 11.097 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.329 -6.531 10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.427 -7.989 9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.298 -6.681 8.585 1.00 0.00 H new ATOM 366 N ASP A 22 0.567 -8.731 10.222 1.00 0.00 N ATOM 367 CA ASP A 22 -0.598 -9.151 10.995 1.00 0.00 C ATOM 368 C ASP A 22 -1.304 -10.329 10.334 1.00 0.00 C ATOM 369 O ASP A 22 -1.968 -11.122 11.003 1.00 0.00 O ATOM 370 CB ASP A 22 -1.572 -7.983 11.159 1.00 0.00 C ATOM 371 CG ASP A 22 -1.076 -6.953 12.156 1.00 0.00 C ATOM 372 OD1 ASP A 22 0.069 -6.481 11.998 1.00 0.00 O ATOM 373 OD2 ASP A 22 -1.833 -6.622 13.092 1.00 0.00 O ATOM 0 H ASP A 22 0.428 -7.880 9.677 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.251 -9.471 11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.727 -7.504 10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.540 -8.364 11.485 1.00 0.00 H new ATOM 378 N ALA A 23 -1.162 -10.443 9.017 1.00 0.00 N ATOM 379 CA ALA A 23 -1.790 -11.527 8.273 1.00 0.00 C ATOM 380 C ALA A 23 -0.756 -12.536 7.786 1.00 0.00 C ATOM 381 O ALA A 23 -0.585 -13.601 8.380 1.00 0.00 O ATOM 382 CB ALA A 23 -2.584 -10.970 7.100 1.00 0.00 C ATOM 0 H ALA A 23 -0.618 -9.798 8.444 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.472 -12.047 8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.048 -11.790 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.358 -10.298 7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.916 -10.423 6.435 1.00 0.00 H new ATOM 388 N GLY A 24 -0.069 -12.196 6.699 1.00 0.00 N ATOM 389 CA GLY A 24 0.938 -13.084 6.149 1.00 0.00 C ATOM 390 C GLY A 24 0.591 -13.551 4.750 1.00 0.00 C ATOM 391 O GLY A 24 0.462 -14.750 4.500 1.00 0.00 O ATOM 0 H GLY A 24 -0.192 -11.321 6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.900 -12.572 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.051 -13.950 6.801 1.00 0.00 H new ATOM 395 N THR A 25 0.434 -12.601 3.837 1.00 0.00 N ATOM 396 CA THR A 25 0.092 -12.909 2.453 1.00 0.00 C ATOM 397 C THR A 25 1.285 -12.686 1.533 1.00 0.00 C ATOM 398 O THR A 25 2.341 -12.222 1.966 1.00 0.00 O ATOM 399 CB THR A 25 -1.087 -12.046 1.999 1.00 0.00 C ATOM 400 OG1 THR A 25 -1.583 -12.486 0.745 1.00 0.00 O ATOM 401 CG2 THR A 25 -0.738 -10.576 1.873 1.00 0.00 C ATOM 0 H THR A 25 0.539 -11.605 4.031 1.00 0.00 H new ATOM 0 HA THR A 25 -0.190 -13.960 2.398 1.00 0.00 H new ATOM 0 HB THR A 25 -1.842 -12.157 2.777 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.522 -12.750 0.839 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.617 -10.020 1.548 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.406 -10.197 2.839 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.060 -10.453 1.141 1.00 0.00 H new ATOM 409 N ALA A 26 1.105 -13.017 0.259 1.00 0.00 N ATOM 410 CA ALA A 26 2.154 -12.855 -0.739 1.00 0.00 C ATOM 411 C ALA A 26 2.846 -11.504 -0.604 1.00 0.00 C ATOM 412 O ALA A 26 2.343 -10.486 -1.077 1.00 0.00 O ATOM 413 CB ALA A 26 1.563 -13.011 -2.129 1.00 0.00 C ATOM 0 H ALA A 26 0.235 -13.402 -0.108 1.00 0.00 H new ATOM 0 HA ALA A 26 2.906 -13.627 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.349 -12.889 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.120 -14.002 -2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.795 -12.253 -2.285 1.00 0.00 H new ATOM 419 N GLU A 27 4.004 -11.504 0.048 1.00 0.00 N ATOM 420 CA GLU A 27 4.768 -10.278 0.251 1.00 0.00 C ATOM 421 C GLU A 27 5.024 -9.572 -1.077 1.00 0.00 C ATOM 422 O GLU A 27 5.145 -8.351 -1.124 1.00 0.00 O ATOM 423 CB GLU A 27 6.099 -10.574 0.947 1.00 0.00 C ATOM 424 CG GLU A 27 6.013 -11.657 2.008 1.00 0.00 C ATOM 425 CD GLU A 27 7.106 -11.541 3.049 1.00 0.00 C ATOM 426 OE1 GLU A 27 7.470 -10.406 3.413 1.00 0.00 O ATOM 427 OE2 GLU A 27 7.610 -12.595 3.504 1.00 0.00 O ATOM 0 H GLU A 27 4.434 -12.339 0.445 1.00 0.00 H new ATOM 0 HA GLU A 27 4.177 -9.621 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.831 -10.872 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.469 -9.657 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.041 -11.603 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.074 -12.635 1.530 1.00 0.00 H new ATOM 434 N LYS A 28 5.103 -10.348 -2.156 1.00 0.00 N ATOM 435 CA LYS A 28 5.337 -9.783 -3.484 1.00 0.00 C ATOM 436 C LYS A 28 4.482 -8.537 -3.688 1.00 0.00 C ATOM 437 O LYS A 28 4.899 -7.577 -4.342 1.00 0.00 O ATOM 438 CB LYS A 28 5.023 -10.819 -4.565 1.00 0.00 C ATOM 439 CG LYS A 28 6.234 -11.602 -5.028 1.00 0.00 C ATOM 440 CD LYS A 28 6.747 -12.524 -3.935 1.00 0.00 C ATOM 441 CE LYS A 28 6.018 -13.859 -3.944 1.00 0.00 C ATOM 442 NZ LYS A 28 6.010 -14.480 -5.297 1.00 0.00 N ATOM 0 H LYS A 28 5.009 -11.364 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 28 6.388 -9.503 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.276 -11.515 -4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.579 -10.313 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.975 -12.189 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.024 -10.912 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.816 -12.691 -4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.620 -12.045 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.495 -14.537 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.992 -13.714 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.992 -15.516 -5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.168 -14.164 -5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.865 -14.194 -5.815 1.00 0.00 H new ATOM 456 N TYR A 29 3.288 -8.555 -3.104 1.00 0.00 N ATOM 457 CA TYR A 29 2.377 -7.426 -3.203 1.00 0.00 C ATOM 458 C TYR A 29 2.879 -6.266 -2.348 1.00 0.00 C ATOM 459 O TYR A 29 2.877 -5.115 -2.788 1.00 0.00 O ATOM 460 CB TYR A 29 0.970 -7.841 -2.773 1.00 0.00 C ATOM 461 CG TYR A 29 -0.068 -7.642 -3.838 1.00 0.00 C ATOM 462 CD1 TYR A 29 -0.299 -6.398 -4.404 1.00 0.00 C ATOM 463 CD2 TYR A 29 -0.822 -8.715 -4.277 1.00 0.00 C ATOM 464 CE1 TYR A 29 -1.257 -6.231 -5.383 1.00 0.00 C ATOM 465 CE2 TYR A 29 -1.777 -8.562 -5.251 1.00 0.00 C ATOM 466 CZ TYR A 29 -1.995 -7.317 -5.805 1.00 0.00 C ATOM 467 OH TYR A 29 -2.952 -7.160 -6.781 1.00 0.00 O ATOM 0 H TYR A 29 2.931 -9.339 -2.558 1.00 0.00 H new ATOM 0 HA TYR A 29 2.337 -7.097 -4.242 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.983 -8.891 -2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.686 -7.269 -1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.279 -5.547 -4.074 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.656 -9.691 -3.846 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.428 -5.256 -5.816 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.355 -9.412 -5.582 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.379 -8.023 -6.962 1.00 0.00 H new ATOM 477 N ILE A 30 3.327 -6.573 -1.130 1.00 0.00 N ATOM 478 CA ILE A 30 3.847 -5.547 -0.236 1.00 0.00 C ATOM 479 C ILE A 30 5.047 -4.863 -0.887 1.00 0.00 C ATOM 480 O ILE A 30 5.272 -3.668 -0.709 1.00 0.00 O ATOM 481 CB ILE A 30 4.230 -6.127 1.158 1.00 0.00 C ATOM 482 CG1 ILE A 30 4.324 -5.019 2.217 1.00 0.00 C ATOM 483 CG2 ILE A 30 5.535 -6.917 1.109 1.00 0.00 C ATOM 484 CD1 ILE A 30 5.398 -3.992 1.937 1.00 0.00 C ATOM 0 H ILE A 30 3.339 -7.518 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 30 3.059 -4.813 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 30 3.432 -6.813 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.361 -4.513 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.515 -5.474 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.764 -7.303 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.431 -7.748 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.343 -6.265 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.401 -3.244 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.370 -4.483 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.198 -3.508 0.981 1.00 0.00 H new ATOM 496 N LYS A 31 5.798 -5.631 -1.672 1.00 0.00 N ATOM 497 CA LYS A 31 6.952 -5.096 -2.376 1.00 0.00 C ATOM 498 C LYS A 31 6.490 -4.099 -3.430 1.00 0.00 C ATOM 499 O LYS A 31 7.177 -3.120 -3.722 1.00 0.00 O ATOM 500 CB LYS A 31 7.750 -6.225 -3.031 1.00 0.00 C ATOM 501 CG LYS A 31 9.121 -5.791 -3.529 1.00 0.00 C ATOM 502 CD LYS A 31 9.029 -5.099 -4.879 1.00 0.00 C ATOM 503 CE LYS A 31 10.159 -5.527 -5.801 1.00 0.00 C ATOM 504 NZ LYS A 31 10.312 -4.604 -6.952 1.00 0.00 N ATOM 0 H LYS A 31 5.626 -6.623 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 31 7.599 -4.589 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.873 -7.036 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.178 -6.625 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.576 -5.117 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.773 -6.661 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.071 -5.331 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.062 -4.019 -4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.092 -5.564 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.967 -6.536 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.093 -4.930 -7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.430 -4.587 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.521 -3.646 -6.604 1.00 0.00 H new ATOM 518 N LEU A 32 5.307 -4.353 -3.985 1.00 0.00 N ATOM 519 CA LEU A 32 4.731 -3.476 -4.995 1.00 0.00 C ATOM 520 C LEU A 32 4.384 -2.118 -4.391 1.00 0.00 C ATOM 521 O LEU A 32 4.441 -1.093 -5.070 1.00 0.00 O ATOM 522 CB LEU A 32 3.476 -4.119 -5.598 1.00 0.00 C ATOM 523 CG LEU A 32 3.481 -4.241 -7.123 1.00 0.00 C ATOM 524 CD1 LEU A 32 3.800 -2.901 -7.768 1.00 0.00 C ATOM 525 CD2 LEU A 32 4.479 -5.299 -7.568 1.00 0.00 C ATOM 0 H LEU A 32 4.730 -5.161 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 32 5.468 -3.327 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.354 -5.114 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.607 -3.534 -5.298 1.00 0.00 H new ATOM 0 HG LEU A 32 2.486 -4.547 -7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.799 -3.010 -8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.048 -2.168 -7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.783 -2.563 -7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.470 -5.373 -8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.478 -5.021 -7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.205 -6.262 -7.136 1.00 0.00 H new ATOM 537 N ILE A 33 4.021 -2.121 -3.111 1.00 0.00 N ATOM 538 CA ILE A 33 3.659 -0.890 -2.415 1.00 0.00 C ATOM 539 C ILE A 33 4.897 -0.066 -2.061 1.00 0.00 C ATOM 540 O ILE A 33 4.831 1.161 -1.983 1.00 0.00 O ATOM 541 CB ILE A 33 2.824 -1.173 -1.136 1.00 0.00 C ATOM 542 CG1 ILE A 33 3.722 -1.456 0.075 1.00 0.00 C ATOM 543 CG2 ILE A 33 1.874 -2.336 -1.373 1.00 0.00 C ATOM 544 CD1 ILE A 33 3.820 -0.291 1.035 1.00 0.00 C ATOM 0 H ILE A 33 3.970 -2.961 -2.535 1.00 0.00 H new ATOM 0 HA ILE A 33 3.041 -0.312 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 33 2.243 -0.278 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.337 -2.325 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.721 -1.714 -0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.295 -2.523 -0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.198 -2.092 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.447 -3.228 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.470 -0.559 1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.233 0.574 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.827 -0.047 1.414 1.00 0.00 H new ATOM 556 N ALA A 34 6.024 -0.752 -1.846 1.00 0.00 N ATOM 557 CA ALA A 34 7.284 -0.092 -1.497 1.00 0.00 C ATOM 558 C ALA A 34 7.444 1.235 -2.234 1.00 0.00 C ATOM 559 O ALA A 34 7.825 2.246 -1.643 1.00 0.00 O ATOM 560 CB ALA A 34 8.459 -1.010 -1.802 1.00 0.00 C ATOM 0 H ALA A 34 6.088 -1.768 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 34 7.265 0.122 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.390 -0.509 -1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.364 -1.928 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.465 -1.252 -2.865 1.00 0.00 H new ATOM 566 N ASN A 35 7.136 1.224 -3.526 1.00 0.00 N ATOM 567 CA ASN A 35 7.228 2.428 -4.343 1.00 0.00 C ATOM 568 C ASN A 35 5.835 2.940 -4.689 1.00 0.00 C ATOM 569 O ASN A 35 5.623 4.143 -4.842 1.00 0.00 O ATOM 570 CB ASN A 35 8.020 2.145 -5.624 1.00 0.00 C ATOM 571 CG ASN A 35 9.076 3.194 -5.888 1.00 0.00 C ATOM 572 OD1 ASN A 35 8.773 4.384 -5.979 1.00 0.00 O ATOM 573 ND2 ASN A 35 10.326 2.761 -6.015 1.00 0.00 N ATOM 0 H ASN A 35 6.821 0.395 -4.030 1.00 0.00 H new ATOM 0 HA ASN A 35 7.751 3.195 -3.772 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.494 1.167 -5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.335 2.101 -6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.080 3.424 -6.195 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.532 1.765 -5.932 1.00 0.00 H new ATOM 580 N ALA A 36 4.884 2.011 -4.800 1.00 0.00 N ATOM 581 CA ALA A 36 3.497 2.344 -5.117 1.00 0.00 C ATOM 582 C ALA A 36 3.403 3.445 -6.182 1.00 0.00 C ATOM 583 O ALA A 36 3.790 3.236 -7.330 1.00 0.00 O ATOM 584 CB ALA A 36 2.756 2.736 -3.843 1.00 0.00 C ATOM 0 H ALA A 36 5.053 1.013 -4.673 1.00 0.00 H new ATOM 0 HA ALA A 36 3.021 1.460 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.722 2.983 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.775 1.903 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.240 3.602 -3.392 1.00 0.00 H new ATOM 590 N LYS A 37 2.888 4.614 -5.795 1.00 0.00 N ATOM 591 CA LYS A 37 2.744 5.738 -6.716 1.00 0.00 C ATOM 592 C LYS A 37 2.090 6.917 -6.005 1.00 0.00 C ATOM 593 O LYS A 37 2.469 8.070 -6.207 1.00 0.00 O ATOM 594 CB LYS A 37 1.909 5.335 -7.932 1.00 0.00 C ATOM 595 CG LYS A 37 2.343 6.015 -9.220 1.00 0.00 C ATOM 596 CD LYS A 37 1.145 6.497 -10.021 1.00 0.00 C ATOM 597 CE LYS A 37 1.569 7.016 -11.387 1.00 0.00 C ATOM 598 NZ LYS A 37 0.443 7.674 -12.109 1.00 0.00 N ATOM 0 H LYS A 37 2.564 4.805 -4.847 1.00 0.00 H new ATOM 0 HA LYS A 37 3.736 6.032 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.971 4.255 -8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.863 5.574 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.991 6.860 -8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.929 5.320 -9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.434 5.680 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.631 7.287 -9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.387 7.726 -11.267 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.950 6.189 -11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.775 8.013 -13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.328 6.990 -12.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.095 8.479 -11.550 1.00 0.00 H new ATOM 612 N THR A 38 1.107 6.609 -5.166 1.00 0.00 N ATOM 613 CA THR A 38 0.389 7.627 -4.410 1.00 0.00 C ATOM 614 C THR A 38 -0.078 7.062 -3.072 1.00 0.00 C ATOM 615 O THR A 38 0.031 5.862 -2.826 1.00 0.00 O ATOM 616 CB THR A 38 -0.809 8.140 -5.210 1.00 0.00 C ATOM 617 OG1 THR A 38 -1.311 7.129 -6.065 1.00 0.00 O ATOM 618 CG2 THR A 38 -0.486 9.346 -6.065 1.00 0.00 C ATOM 0 H THR A 38 0.788 5.656 -4.992 1.00 0.00 H new ATOM 0 HA THR A 38 1.067 8.460 -4.223 1.00 0.00 H new ATOM 0 HB THR A 38 -1.550 8.431 -4.465 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.078 7.476 -6.567 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.379 9.658 -6.606 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.143 10.162 -5.429 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.298 9.088 -6.777 1.00 0.00 H new ATOM 626 N VAL A 39 -0.595 7.931 -2.212 1.00 0.00 N ATOM 627 CA VAL A 39 -1.075 7.511 -0.900 1.00 0.00 C ATOM 628 C VAL A 39 -2.108 6.392 -1.020 1.00 0.00 C ATOM 629 O VAL A 39 -1.957 5.328 -0.421 1.00 0.00 O ATOM 630 CB VAL A 39 -1.700 8.687 -0.128 1.00 0.00 C ATOM 631 CG1 VAL A 39 -2.019 8.281 1.303 1.00 0.00 C ATOM 632 CG2 VAL A 39 -0.774 9.895 -0.153 1.00 0.00 C ATOM 0 H VAL A 39 -0.693 8.929 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.208 7.143 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.634 8.962 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.460 9.126 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.724 7.449 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.102 7.976 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.233 10.716 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.177 9.634 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.603 10.201 -1.185 1.00 0.00 H new ATOM 642 N GLU A 40 -3.154 6.643 -1.799 1.00 0.00 N ATOM 643 CA GLU A 40 -4.213 5.660 -1.996 1.00 0.00 C ATOM 644 C GLU A 40 -3.677 4.403 -2.675 1.00 0.00 C ATOM 645 O GLU A 40 -4.038 3.285 -2.308 1.00 0.00 O ATOM 646 CB GLU A 40 -5.348 6.261 -2.828 1.00 0.00 C ATOM 647 CG GLU A 40 -6.732 5.941 -2.287 1.00 0.00 C ATOM 648 CD GLU A 40 -7.660 7.139 -2.314 1.00 0.00 C ATOM 649 OE1 GLU A 40 -8.150 7.485 -3.409 1.00 0.00 O ATOM 650 OE2 GLU A 40 -7.897 7.733 -1.241 1.00 0.00 O ATOM 0 H GLU A 40 -3.291 7.518 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.599 5.381 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.224 7.343 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.272 5.892 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.170 5.134 -2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.643 5.578 -1.263 1.00 0.00 H new ATOM 657 N GLY A 41 -2.813 4.593 -3.668 1.00 0.00 N ATOM 658 CA GLY A 41 -2.243 3.464 -4.384 1.00 0.00 C ATOM 659 C GLY A 41 -1.606 2.448 -3.455 1.00 0.00 C ATOM 660 O GLY A 41 -1.630 1.246 -3.726 1.00 0.00 O ATOM 0 H GLY A 41 -2.497 5.508 -3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.024 2.977 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.495 3.826 -5.089 1.00 0.00 H new ATOM 664 N VAL A 42 -1.037 2.930 -2.356 1.00 0.00 N ATOM 665 CA VAL A 42 -0.392 2.055 -1.386 1.00 0.00 C ATOM 666 C VAL A 42 -1.426 1.369 -0.499 1.00 0.00 C ATOM 667 O VAL A 42 -1.408 0.147 -0.335 1.00 0.00 O ATOM 668 CB VAL A 42 0.603 2.827 -0.490 1.00 0.00 C ATOM 669 CG1 VAL A 42 1.656 1.888 0.082 1.00 0.00 C ATOM 670 CG2 VAL A 42 1.261 3.965 -1.263 1.00 0.00 C ATOM 0 H VAL A 42 -1.010 3.921 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 42 0.157 1.306 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 42 0.043 3.259 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.345 2.453 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.170 1.117 0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.208 1.420 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.957 4.493 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.802 3.559 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.495 4.657 -1.613 1.00 0.00 H new ATOM 680 N TRP A 43 -2.329 2.163 0.069 1.00 0.00 N ATOM 681 CA TRP A 43 -3.375 1.632 0.938 1.00 0.00 C ATOM 682 C TRP A 43 -4.206 0.581 0.209 1.00 0.00 C ATOM 683 O TRP A 43 -4.676 -0.384 0.814 1.00 0.00 O ATOM 684 CB TRP A 43 -4.284 2.761 1.430 1.00 0.00 C ATOM 685 CG TRP A 43 -3.592 3.741 2.325 1.00 0.00 C ATOM 686 CD1 TRP A 43 -3.292 5.043 2.050 1.00 0.00 C ATOM 687 CD2 TRP A 43 -3.119 3.490 3.646 1.00 0.00 C ATOM 688 NE1 TRP A 43 -2.655 5.615 3.125 1.00 0.00 N ATOM 689 CE2 TRP A 43 -2.537 4.679 4.118 1.00 0.00 C ATOM 690 CE3 TRP A 43 -3.133 2.369 4.471 1.00 0.00 C ATOM 691 CZ2 TRP A 43 -1.972 4.776 5.388 1.00 0.00 C ATOM 692 CZ3 TRP A 43 -2.574 2.462 5.731 1.00 0.00 C ATOM 693 CH2 TRP A 43 -2.000 3.660 6.180 1.00 0.00 C ATOM 0 H TRP A 43 -2.358 3.175 -0.056 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.894 1.162 1.795 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.689 3.292 0.568 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.130 2.328 1.964 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -3.521 5.550 1.124 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.324 6.579 3.175 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.573 1.443 4.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.528 5.698 5.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.579 1.599 6.380 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.571 3.703 7.170 1.00 0.00 H new ATOM 704 N THR A 44 -4.389 0.776 -1.094 1.00 0.00 N ATOM 705 CA THR A 44 -5.170 -0.155 -1.900 1.00 0.00 C ATOM 706 C THR A 44 -4.387 -1.437 -2.173 1.00 0.00 C ATOM 707 O THR A 44 -4.965 -2.517 -2.234 1.00 0.00 O ATOM 708 CB THR A 44 -5.591 0.498 -3.219 1.00 0.00 C ATOM 709 OG1 THR A 44 -6.514 -0.324 -3.911 1.00 0.00 O ATOM 710 CG2 THR A 44 -4.434 0.772 -4.154 1.00 0.00 C ATOM 0 H THR A 44 -4.008 1.568 -1.612 1.00 0.00 H new ATOM 0 HA THR A 44 -6.065 -0.416 -1.335 1.00 0.00 H new ATOM 0 HB THR A 44 -6.039 1.451 -2.936 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.028 -1.010 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.806 1.235 -5.068 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.726 1.444 -3.669 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.935 -0.165 -4.400 1.00 0.00 H new ATOM 718 N LEU A 45 -3.073 -1.313 -2.339 1.00 0.00 N ATOM 719 CA LEU A 45 -2.232 -2.479 -2.607 1.00 0.00 C ATOM 720 C LEU A 45 -2.314 -3.493 -1.463 1.00 0.00 C ATOM 721 O LEU A 45 -2.610 -4.670 -1.687 1.00 0.00 O ATOM 722 CB LEU A 45 -0.777 -2.060 -2.855 1.00 0.00 C ATOM 723 CG LEU A 45 -0.553 -1.243 -4.128 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.839 -0.632 -4.136 1.00 0.00 C ATOM 725 CD2 LEU A 45 -0.773 -2.104 -5.363 1.00 0.00 C ATOM 0 H LEU A 45 -2.570 -0.427 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.608 -2.959 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.431 -1.478 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.158 -2.956 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.280 -0.431 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.978 -0.055 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.954 0.023 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.585 -1.426 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.609 -1.505 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.074 -2.940 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.794 -2.485 -5.364 1.00 0.00 H new ATOM 736 N LYS A 46 -2.071 -3.036 -0.233 1.00 0.00 N ATOM 737 CA LYS A 46 -2.138 -3.919 0.930 1.00 0.00 C ATOM 738 C LYS A 46 -3.549 -4.481 1.089 1.00 0.00 C ATOM 739 O LYS A 46 -3.740 -5.696 1.199 1.00 0.00 O ATOM 740 CB LYS A 46 -1.722 -3.178 2.208 1.00 0.00 C ATOM 741 CG LYS A 46 -2.158 -1.722 2.259 1.00 0.00 C ATOM 742 CD LYS A 46 -2.756 -1.364 3.610 1.00 0.00 C ATOM 743 CE LYS A 46 -4.215 -1.781 3.703 1.00 0.00 C ATOM 744 NZ LYS A 46 -4.364 -3.173 4.210 1.00 0.00 N ATOM 0 H LYS A 46 -1.828 -2.069 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.443 -4.743 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.140 -3.700 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.637 -3.223 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.302 -1.078 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.891 -1.533 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.186 -1.851 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.673 -0.289 3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.747 -1.096 4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.679 -1.701 2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.370 -3.436 4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.836 -3.825 3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.990 -3.231 5.179 1.00 0.00 H new ATOM 758 N ASP A 47 -4.536 -3.590 1.085 1.00 0.00 N ATOM 759 CA ASP A 47 -5.931 -3.990 1.217 1.00 0.00 C ATOM 760 C ASP A 47 -6.353 -4.866 0.042 1.00 0.00 C ATOM 761 O ASP A 47 -7.225 -5.724 0.176 1.00 0.00 O ATOM 762 CB ASP A 47 -6.833 -2.759 1.302 1.00 0.00 C ATOM 763 CG ASP A 47 -8.288 -3.121 1.520 1.00 0.00 C ATOM 764 OD1 ASP A 47 -8.847 -3.864 0.686 1.00 0.00 O ATOM 765 OD2 ASP A 47 -8.871 -2.663 2.526 1.00 0.00 O ATOM 0 H ASP A 47 -4.394 -2.584 0.992 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.034 -4.567 2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.495 -2.120 2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.740 -2.180 0.383 1.00 0.00 H new ATOM 770 N GLU A 48 -5.724 -4.644 -1.109 1.00 0.00 N ATOM 771 CA GLU A 48 -6.030 -5.416 -2.307 1.00 0.00 C ATOM 772 C GLU A 48 -5.763 -6.894 -2.065 1.00 0.00 C ATOM 773 O GLU A 48 -6.502 -7.755 -2.540 1.00 0.00 O ATOM 774 CB GLU A 48 -5.199 -4.922 -3.494 1.00 0.00 C ATOM 775 CG GLU A 48 -5.942 -3.946 -4.392 1.00 0.00 C ATOM 776 CD GLU A 48 -5.026 -3.257 -5.384 1.00 0.00 C ATOM 777 OE1 GLU A 48 -4.392 -2.250 -5.006 1.00 0.00 O ATOM 778 OE2 GLU A 48 -4.943 -3.725 -6.540 1.00 0.00 O ATOM 0 H GLU A 48 -5.000 -3.936 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.086 -5.280 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.295 -4.442 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.882 -5.780 -4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.724 -4.479 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.436 -3.195 -3.776 1.00 0.00 H new ATOM 785 N ILE A 49 -4.704 -7.180 -1.317 1.00 0.00 N ATOM 786 CA ILE A 49 -4.349 -8.559 -1.007 1.00 0.00 C ATOM 787 C ILE A 49 -5.308 -9.141 0.023 1.00 0.00 C ATOM 788 O ILE A 49 -5.629 -10.329 -0.016 1.00 0.00 O ATOM 789 CB ILE A 49 -2.912 -8.680 -0.465 1.00 0.00 C ATOM 790 CG1 ILE A 49 -1.953 -7.773 -1.241 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.450 -10.127 -0.535 1.00 0.00 C ATOM 792 CD1 ILE A 49 -1.135 -6.868 -0.350 1.00 0.00 C ATOM 0 H ILE A 49 -4.080 -6.480 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.417 -9.116 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.909 -8.357 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.280 -8.391 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.526 -7.163 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.433 -10.203 -0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.113 -10.750 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.472 -10.466 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.477 -6.252 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.801 -6.225 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.536 -7.473 0.331 1.00 0.00 H new ATOM 804 N LYS A 50 -5.760 -8.298 0.947 1.00 0.00 N ATOM 805 CA LYS A 50 -6.683 -8.736 1.989 1.00 0.00 C ATOM 806 C LYS A 50 -8.010 -9.198 1.391 1.00 0.00 C ATOM 807 O LYS A 50 -8.670 -10.084 1.931 1.00 0.00 O ATOM 808 CB LYS A 50 -6.932 -7.609 2.993 1.00 0.00 C ATOM 809 CG LYS A 50 -5.661 -6.944 3.493 1.00 0.00 C ATOM 810 CD LYS A 50 -4.688 -7.961 4.068 1.00 0.00 C ATOM 811 CE LYS A 50 -3.523 -7.284 4.775 1.00 0.00 C ATOM 812 NZ LYS A 50 -3.244 -7.894 6.104 1.00 0.00 N ATOM 0 H LYS A 50 -5.503 -7.312 0.996 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.224 -9.579 2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.568 -6.855 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.482 -8.009 3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.184 -6.406 2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.911 -6.207 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.212 -8.611 4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.309 -8.596 3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.632 -7.352 4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.743 -6.224 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.448 -7.202 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.845 -8.733 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.244 -8.174 6.154 1.00 0.00 H new ATOM 826 N THR A 51 -8.398 -8.586 0.276 1.00 0.00 N ATOM 827 CA THR A 51 -9.650 -8.934 -0.389 1.00 0.00 C ATOM 828 C THR A 51 -9.402 -9.821 -1.605 1.00 0.00 C ATOM 829 O THR A 51 -10.206 -10.699 -1.919 1.00 0.00 O ATOM 830 CB THR A 51 -10.394 -7.667 -0.812 1.00 0.00 C ATOM 831 OG1 THR A 51 -10.292 -6.668 0.186 1.00 0.00 O ATOM 832 CG2 THR A 51 -11.864 -7.897 -1.083 1.00 0.00 C ATOM 0 H THR A 51 -7.865 -7.849 -0.185 1.00 0.00 H new ATOM 0 HA THR A 51 -10.262 -9.491 0.320 1.00 0.00 H new ATOM 0 HB THR A 51 -9.917 -7.349 -1.739 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.395 -6.275 0.164 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.331 -6.957 -1.378 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.976 -8.626 -1.886 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.346 -8.274 -0.181 1.00 0.00 H new ATOM 840 N PHE A 52 -8.287 -9.586 -2.289 1.00 0.00 N ATOM 841 CA PHE A 52 -7.937 -10.361 -3.473 1.00 0.00 C ATOM 842 C PHE A 52 -6.962 -11.483 -3.128 1.00 0.00 C ATOM 843 O PHE A 52 -6.144 -11.884 -3.957 1.00 0.00 O ATOM 844 CB PHE A 52 -7.318 -9.452 -4.534 1.00 0.00 C ATOM 845 CG PHE A 52 -7.485 -9.968 -5.936 1.00 0.00 C ATOM 846 CD1 PHE A 52 -8.735 -10.000 -6.532 1.00 0.00 C ATOM 847 CD2 PHE A 52 -6.390 -10.418 -6.657 1.00 0.00 C ATOM 848 CE1 PHE A 52 -8.892 -10.472 -7.821 1.00 0.00 C ATOM 849 CE2 PHE A 52 -6.541 -10.892 -7.946 1.00 0.00 C ATOM 850 CZ PHE A 52 -7.793 -10.920 -8.528 1.00 0.00 C ATOM 0 H PHE A 52 -7.610 -8.864 -2.043 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.852 -10.806 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.771 -8.463 -4.463 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.255 -9.332 -4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.597 -9.652 -5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.409 -10.398 -6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.872 -10.491 -8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.681 -11.240 -8.498 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.913 -11.292 -9.535 1.00 0.00 H new ATOM 860 N THR A 53 -7.055 -11.986 -1.901 1.00 0.00 N ATOM 861 CA THR A 53 -6.182 -13.064 -1.442 1.00 0.00 C ATOM 862 C THR A 53 -6.094 -14.182 -2.476 1.00 0.00 C ATOM 863 O THR A 53 -7.112 -14.644 -2.993 1.00 0.00 O ATOM 864 CB THR A 53 -6.690 -13.624 -0.111 1.00 0.00 C ATOM 865 OG1 THR A 53 -8.087 -13.852 -0.163 1.00 0.00 O ATOM 866 CG2 THR A 53 -6.416 -12.713 1.066 1.00 0.00 C ATOM 0 H THR A 53 -7.727 -11.664 -1.204 1.00 0.00 H new ATOM 0 HA THR A 53 -5.183 -12.650 -1.302 1.00 0.00 H new ATOM 0 HB THR A 53 -6.144 -14.555 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.329 -14.197 -1.048 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.802 -13.170 1.977 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.341 -12.559 1.164 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.907 -11.753 0.905 1.00 0.00 H new ATOM 874 N VAL A 54 -4.873 -14.609 -2.777 1.00 0.00 N ATOM 875 CA VAL A 54 -4.648 -15.669 -3.752 1.00 0.00 C ATOM 876 C VAL A 54 -5.399 -16.944 -3.379 1.00 0.00 C ATOM 877 O VAL A 54 -5.670 -17.786 -4.234 1.00 0.00 O ATOM 878 CB VAL A 54 -3.148 -15.993 -3.893 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.435 -14.896 -4.666 1.00 0.00 C ATOM 880 CG2 VAL A 54 -2.514 -16.190 -2.524 1.00 0.00 C ATOM 0 H VAL A 54 -4.021 -14.236 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.027 -15.300 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.047 -16.923 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.377 -15.143 -4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.872 -14.809 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.543 -13.949 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.455 -16.418 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.625 -15.278 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.007 -17.015 -2.010 1.00 0.00 H new ATOM 890 N THR A 55 -5.732 -17.083 -2.099 1.00 0.00 N ATOM 891 CA THR A 55 -6.450 -18.260 -1.621 1.00 0.00 C ATOM 892 C THR A 55 -7.843 -18.340 -2.242 1.00 0.00 C ATOM 893 O THR A 55 -8.835 -17.968 -1.615 1.00 0.00 O ATOM 894 CB THR A 55 -6.562 -18.233 -0.096 1.00 0.00 C ATOM 895 OG1 THR A 55 -5.327 -17.860 0.489 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.966 -19.566 0.497 1.00 0.00 C ATOM 0 H THR A 55 -5.517 -16.397 -1.376 1.00 0.00 H new ATOM 0 HA THR A 55 -5.886 -19.143 -1.922 1.00 0.00 H new ATOM 0 HB THR A 55 -7.341 -17.504 0.125 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.418 -17.846 1.465 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.027 -19.478 1.582 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.938 -19.861 0.101 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.224 -20.320 0.235 1.00 0.00 H new ATOM 904 N GLU A 56 -7.907 -18.829 -3.476 1.00 0.00 N ATOM 905 CA GLU A 56 -9.177 -18.960 -4.183 1.00 0.00 C ATOM 906 C GLU A 56 -9.900 -17.618 -4.265 1.00 0.00 C ATOM 907 O GLU A 56 -9.219 -16.574 -4.184 1.00 0.00 O ATOM 908 CB GLU A 56 -10.068 -19.990 -3.486 1.00 0.00 C ATOM 909 CG GLU A 56 -9.449 -21.376 -3.408 1.00 0.00 C ATOM 910 CD GLU A 56 -10.291 -22.346 -2.604 1.00 0.00 C ATOM 911 OE1 GLU A 56 -11.087 -21.884 -1.759 1.00 0.00 O ATOM 912 OE2 GLU A 56 -10.155 -23.570 -2.818 1.00 0.00 O ATOM 913 OXT GLU A 56 -11.140 -17.623 -4.413 1.00 0.00 O ATOM 0 H GLU A 56 -7.094 -19.141 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.964 -19.298 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.290 -19.643 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.018 -20.055 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.314 -21.767 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.458 -21.303 -2.960 1.00 0.00 H new TER 920 GLU A 56