USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 585 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 11 SER OG : rot -23:sc= 0.31 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -89:sc= 0.928 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 23 MET CE :methyl 162:sc= -0.159 (180deg=-0.849) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0727) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 30 GLN : amide:sc=-0.00794 K(o=-0.0079,f=-0.97) USER MOD Single : A 38 MET CE :methyl -158:sc= -0.165 (180deg=-0.732) USER MOD Single : A 40 ASN : amide:sc= 1.07 K(o=1.1,f=-0.13) USER MOD Single : A 42 SER OG : rot -116:sc= 1.45 USER MOD Single : A 45 SER OG : rot -45:sc= 1.21 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.0265 F(o=-1.2!,f=-0.026) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -59:sc= 0.0892 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 1.2 (180deg=1.01) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 1.18 K(o=1.2,f=-0.24) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.214 F(o=-3.2!,f=-0.21) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl 139:sc= -0.23 (180deg=-0.843) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 83 THR OG1 : rot 68:sc= 0.577 USER MOD Single : A 84 MET CE :methyl 135:sc= -0.0115 (180deg=-0.168) USER MOD ----------------------------------------------------------------- ATOM 55 N SER A 11 7.388 -10.825 -6.697 1.00 0.00 N ATOM 56 CA SER A 11 8.308 -10.594 -5.587 1.00 0.00 C ATOM 57 C SER A 11 8.189 -9.151 -5.067 1.00 0.00 C ATOM 58 O SER A 11 8.595 -8.842 -3.948 1.00 0.00 O ATOM 59 CB SER A 11 9.739 -10.881 -6.043 1.00 0.00 C ATOM 60 OG SER A 11 10.002 -10.266 -7.296 1.00 0.00 O ATOM 0 HA SER A 11 8.049 -11.266 -4.769 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.444 -10.513 -5.297 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.891 -11.957 -6.122 1.00 0.00 H new ATOM 0 HG SER A 11 9.158 -10.117 -7.771 1.00 0.00 H new ATOM 66 N GLU A 12 7.594 -8.296 -5.888 1.00 0.00 N ATOM 67 CA GLU A 12 7.425 -6.876 -5.582 1.00 0.00 C ATOM 68 C GLU A 12 6.494 -6.645 -4.382 1.00 0.00 C ATOM 69 O GLU A 12 6.466 -5.562 -3.815 1.00 0.00 O ATOM 70 CB GLU A 12 6.874 -6.167 -6.810 1.00 0.00 C ATOM 71 CG GLU A 12 7.712 -6.392 -8.054 1.00 0.00 C ATOM 72 CD GLU A 12 6.992 -6.009 -9.321 1.00 0.00 C ATOM 73 OE1 GLU A 12 6.016 -6.691 -9.679 1.00 0.00 O ATOM 74 OE2 GLU A 12 7.419 -5.050 -9.988 1.00 0.00 O ATOM 0 H GLU A 12 7.211 -8.568 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 12 8.400 -6.470 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.858 -6.514 -6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.814 -5.098 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.633 -5.814 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.999 -7.442 -8.108 1.00 0.00 H new ATOM 81 N THR A 13 5.746 -7.669 -3.995 1.00 0.00 N ATOM 82 CA THR A 13 4.823 -7.540 -2.877 1.00 0.00 C ATOM 83 C THR A 13 5.528 -7.819 -1.553 1.00 0.00 C ATOM 84 O THR A 13 4.990 -7.552 -0.481 1.00 0.00 O ATOM 85 CB THR A 13 3.632 -8.504 -3.023 1.00 0.00 C ATOM 86 OG1 THR A 13 4.113 -9.841 -3.204 1.00 0.00 O ATOM 87 CG2 THR A 13 2.760 -8.114 -4.205 1.00 0.00 C ATOM 0 H THR A 13 5.760 -8.590 -4.434 1.00 0.00 H new ATOM 0 HA THR A 13 4.455 -6.514 -2.882 1.00 0.00 H new ATOM 0 HB THR A 13 3.031 -8.447 -2.115 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.353 -10.453 -3.295 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.925 -8.810 -4.287 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.377 -7.104 -4.057 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.351 -8.147 -5.120 1.00 0.00 H new ATOM 95 N TYR A 14 6.734 -8.352 -1.642 1.00 0.00 N ATOM 96 CA TYR A 14 7.503 -8.709 -0.471 1.00 0.00 C ATOM 97 C TYR A 14 8.362 -7.533 0.010 1.00 0.00 C ATOM 98 O TYR A 14 8.868 -7.538 1.134 1.00 0.00 O ATOM 99 CB TYR A 14 8.388 -9.928 -0.789 1.00 0.00 C ATOM 100 CG TYR A 14 9.403 -10.250 0.280 1.00 0.00 C ATOM 101 CD1 TYR A 14 9.065 -11.022 1.381 1.00 0.00 C ATOM 102 CD2 TYR A 14 10.704 -9.766 0.190 1.00 0.00 C ATOM 103 CE1 TYR A 14 9.991 -11.303 2.363 1.00 0.00 C ATOM 104 CE2 TYR A 14 11.632 -10.040 1.162 1.00 0.00 C ATOM 105 CZ TYR A 14 11.273 -10.808 2.251 1.00 0.00 C ATOM 106 OH TYR A 14 12.198 -11.086 3.231 1.00 0.00 O ATOM 0 H TYR A 14 7.203 -8.548 -2.526 1.00 0.00 H new ATOM 0 HA TYR A 14 6.813 -8.963 0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.749 -10.798 -0.941 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.911 -9.748 -1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.061 -11.409 1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.988 -9.164 -0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.714 -11.907 3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.638 -9.657 1.076 1.00 0.00 H new ATOM 0 HH TYR A 14 13.053 -10.665 3.003 1.00 0.00 H new ATOM 116 N ILE A 15 8.485 -6.511 -0.817 1.00 0.00 N ATOM 117 CA ILE A 15 9.353 -5.389 -0.500 1.00 0.00 C ATOM 118 C ILE A 15 8.673 -4.469 0.531 1.00 0.00 C ATOM 119 O ILE A 15 7.515 -4.684 0.884 1.00 0.00 O ATOM 120 CB ILE A 15 9.728 -4.598 -1.792 1.00 0.00 C ATOM 121 CG1 ILE A 15 11.075 -3.888 -1.629 1.00 0.00 C ATOM 122 CG2 ILE A 15 8.634 -3.607 -2.178 1.00 0.00 C ATOM 123 CD1 ILE A 15 12.253 -4.833 -1.527 1.00 0.00 C ATOM 0 H ILE A 15 7.998 -6.433 -1.710 1.00 0.00 H new ATOM 0 HA ILE A 15 10.276 -5.773 -0.065 1.00 0.00 H new ATOM 0 HB ILE A 15 9.821 -5.320 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.229 -3.220 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.042 -3.265 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.929 -3.074 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.704 -4.145 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.487 -2.893 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 15 13.172 -4.258 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 15 12.123 -5.484 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.313 -5.438 -2.431 1.00 0.00 H new ATOM 135 N THR A 16 9.383 -3.465 1.020 1.00 0.00 N ATOM 136 CA THR A 16 8.814 -2.563 1.999 1.00 0.00 C ATOM 137 C THR A 16 8.171 -1.368 1.318 1.00 0.00 C ATOM 138 O THR A 16 8.521 -1.013 0.190 1.00 0.00 O ATOM 139 CB THR A 16 9.877 -2.050 2.992 1.00 0.00 C ATOM 140 OG1 THR A 16 10.926 -1.392 2.281 1.00 0.00 O ATOM 141 CG2 THR A 16 10.450 -3.188 3.821 1.00 0.00 C ATOM 0 H THR A 16 10.346 -3.258 0.756 1.00 0.00 H new ATOM 0 HA THR A 16 8.062 -3.130 2.548 1.00 0.00 H new ATOM 0 HB THR A 16 9.397 -1.345 3.670 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.610 -2.046 2.028 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.196 -2.795 4.511 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.649 -3.666 4.386 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.916 -3.920 3.161 1.00 0.00 H new ATOM 149 N CYS A 17 7.244 -0.745 2.006 1.00 0.00 N ATOM 150 CA CYS A 17 6.571 0.435 1.499 1.00 0.00 C ATOM 151 C CYS A 17 7.528 1.623 1.455 1.00 0.00 C ATOM 152 O CYS A 17 7.340 2.557 0.677 1.00 0.00 O ATOM 153 CB CYS A 17 5.376 0.736 2.375 1.00 0.00 C ATOM 154 SG CYS A 17 5.504 -0.031 4.014 1.00 0.00 S ATOM 0 H CYS A 17 6.933 -1.038 2.932 1.00 0.00 H new ATOM 0 HA CYS A 17 6.231 0.250 0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.276 1.815 2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.470 0.383 1.882 1.00 0.00 H new ATOM 159 N ALA A 18 8.563 1.569 2.291 1.00 0.00 N ATOM 160 CA ALA A 18 9.585 2.603 2.310 1.00 0.00 C ATOM 161 C ALA A 18 10.382 2.562 1.019 1.00 0.00 C ATOM 162 O ALA A 18 10.635 3.596 0.391 1.00 0.00 O ATOM 163 CB ALA A 18 10.505 2.411 3.505 1.00 0.00 C ATOM 0 H ALA A 18 8.712 0.817 2.964 1.00 0.00 H new ATOM 0 HA ALA A 18 9.104 3.577 2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.266 3.192 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.923 2.468 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.987 1.435 3.440 1.00 0.00 H new ATOM 169 N GLU A 19 10.767 1.356 0.620 1.00 0.00 N ATOM 170 CA GLU A 19 11.505 1.154 -0.614 1.00 0.00 C ATOM 171 C GLU A 19 10.602 1.355 -1.827 1.00 0.00 C ATOM 172 O GLU A 19 11.074 1.706 -2.911 1.00 0.00 O ATOM 173 CB GLU A 19 12.131 -0.235 -0.633 1.00 0.00 C ATOM 174 CG GLU A 19 13.182 -0.433 0.445 1.00 0.00 C ATOM 175 CD GLU A 19 13.691 -1.848 0.511 1.00 0.00 C ATOM 176 OE1 GLU A 19 14.659 -2.168 -0.208 1.00 0.00 O ATOM 177 OE2 GLU A 19 13.133 -2.650 1.294 1.00 0.00 O ATOM 0 H GLU A 19 10.577 0.499 1.140 1.00 0.00 H new ATOM 0 HA GLU A 19 12.303 1.895 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.347 -0.982 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.584 -0.409 -1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.018 0.241 0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.760 -0.158 1.412 1.00 0.00 H new ATOM 184 N ALA A 20 9.298 1.135 -1.638 1.00 0.00 N ATOM 185 CA ALA A 20 8.327 1.340 -2.696 1.00 0.00 C ATOM 186 C ALA A 20 8.311 2.805 -3.114 1.00 0.00 C ATOM 187 O ALA A 20 8.129 3.121 -4.281 1.00 0.00 O ATOM 188 CB ALA A 20 6.943 0.896 -2.248 1.00 0.00 C ATOM 0 H ALA A 20 8.898 0.814 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 20 8.615 0.734 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.230 1.058 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.966 -0.163 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.640 1.474 -1.375 1.00 0.00 H new ATOM 194 N ASN A 21 8.517 3.696 -2.141 1.00 0.00 N ATOM 195 CA ASN A 21 8.589 5.135 -2.407 1.00 0.00 C ATOM 196 C ASN A 21 9.793 5.435 -3.290 1.00 0.00 C ATOM 197 O ASN A 21 9.691 6.150 -4.286 1.00 0.00 O ATOM 198 CB ASN A 21 8.699 5.917 -1.092 1.00 0.00 C ATOM 199 CG ASN A 21 8.898 7.411 -1.307 1.00 0.00 C ATOM 200 OD1 ASN A 21 8.400 7.988 -2.274 1.00 0.00 O ATOM 201 ND2 ASN A 21 9.641 8.040 -0.414 1.00 0.00 N ATOM 0 H ASN A 21 8.637 3.445 -1.160 1.00 0.00 H new ATOM 0 HA ASN A 21 7.679 5.443 -2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.796 5.757 -0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.533 5.524 -0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.820 9.039 -0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.036 7.526 0.374 1.00 0.00 H new ATOM 208 N GLU A 22 10.940 4.897 -2.891 1.00 0.00 N ATOM 209 CA GLU A 22 12.166 5.019 -3.670 1.00 0.00 C ATOM 210 C GLU A 22 11.933 4.563 -5.110 1.00 0.00 C ATOM 211 O GLU A 22 12.409 5.195 -6.057 1.00 0.00 O ATOM 212 CB GLU A 22 13.286 4.209 -3.030 1.00 0.00 C ATOM 213 CG GLU A 22 13.481 4.508 -1.555 1.00 0.00 C ATOM 214 CD GLU A 22 14.739 3.895 -0.995 1.00 0.00 C ATOM 215 OE1 GLU A 22 14.812 2.654 -0.891 1.00 0.00 O ATOM 216 OE2 GLU A 22 15.661 4.655 -0.641 1.00 0.00 O ATOM 0 H GLU A 22 11.046 4.368 -2.025 1.00 0.00 H new ATOM 0 HA GLU A 22 12.462 6.068 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.072 3.147 -3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.217 4.409 -3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.513 5.588 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.622 4.136 -0.997 1.00 0.00 H new ATOM 223 N MET A 23 11.196 3.467 -5.263 1.00 0.00 N ATOM 224 CA MET A 23 10.842 2.953 -6.582 1.00 0.00 C ATOM 225 C MET A 23 9.859 3.882 -7.283 1.00 0.00 C ATOM 226 O MET A 23 9.963 4.107 -8.478 1.00 0.00 O ATOM 227 CB MET A 23 10.228 1.555 -6.473 1.00 0.00 C ATOM 228 CG MET A 23 11.210 0.466 -6.078 1.00 0.00 C ATOM 229 SD MET A 23 10.413 -1.139 -5.865 1.00 0.00 S ATOM 230 CE MET A 23 9.595 -1.337 -7.452 1.00 0.00 C ATOM 0 H MET A 23 10.831 2.916 -4.486 1.00 0.00 H new ATOM 0 HA MET A 23 11.759 2.897 -7.169 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.421 1.582 -5.741 1.00 0.00 H new ATOM 0 HB3 MET A 23 9.780 1.293 -7.431 1.00 0.00 H new ATOM 0 HG2 MET A 23 11.984 0.385 -6.841 1.00 0.00 H new ATOM 0 HG3 MET A 23 11.706 0.748 -5.149 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.336 -2.386 -7.600 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.688 -0.733 -7.472 1.00 0.00 H new ATOM 0 HE3 MET A 23 10.264 -1.013 -8.249 1.00 0.00 H new ATOM 240 N ALA A 24 8.904 4.416 -6.515 1.00 0.00 N ATOM 241 CA ALA A 24 7.858 5.323 -7.030 1.00 0.00 C ATOM 242 C ALA A 24 8.432 6.467 -7.863 1.00 0.00 C ATOM 243 O ALA A 24 7.779 6.966 -8.772 1.00 0.00 O ATOM 244 CB ALA A 24 7.017 5.877 -5.888 1.00 0.00 C ATOM 0 H ALA A 24 8.829 4.234 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 24 7.225 4.729 -7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.253 6.543 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.539 5.054 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.656 6.431 -5.201 1.00 0.00 H new ATOM 250 N LYS A 25 9.650 6.876 -7.543 1.00 0.00 N ATOM 251 CA LYS A 25 10.337 7.930 -8.294 1.00 0.00 C ATOM 252 C LYS A 25 10.508 7.546 -9.777 1.00 0.00 C ATOM 253 O LYS A 25 10.789 8.397 -10.619 1.00 0.00 O ATOM 254 CB LYS A 25 11.706 8.210 -7.667 1.00 0.00 C ATOM 255 CG LYS A 25 11.641 8.652 -6.211 1.00 0.00 C ATOM 256 CD LYS A 25 13.033 8.778 -5.611 1.00 0.00 C ATOM 257 CE LYS A 25 12.977 9.190 -4.145 1.00 0.00 C ATOM 258 NZ LYS A 25 12.425 10.556 -3.967 1.00 0.00 N ATOM 0 H LYS A 25 10.190 6.496 -6.766 1.00 0.00 H new ATOM 0 HA LYS A 25 9.723 8.830 -8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.317 7.310 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.210 8.982 -8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.124 9.609 -6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.058 7.933 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.557 7.826 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.607 9.513 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.364 8.478 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.979 9.147 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.531 10.846 -2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.940 11.221 -4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.417 10.559 -4.223 1.00 0.00 H new ATOM 272 N THR A 26 10.337 6.266 -10.078 1.00 0.00 N ATOM 273 CA THR A 26 10.452 5.767 -11.438 1.00 0.00 C ATOM 274 C THR A 26 9.236 4.902 -11.805 1.00 0.00 C ATOM 275 O THR A 26 8.741 4.949 -12.934 1.00 0.00 O ATOM 276 CB THR A 26 11.734 4.920 -11.602 1.00 0.00 C ATOM 277 OG1 THR A 26 12.855 5.619 -11.036 1.00 0.00 O ATOM 278 CG2 THR A 26 12.011 4.633 -13.073 1.00 0.00 C ATOM 0 H THR A 26 10.116 5.548 -9.388 1.00 0.00 H new ATOM 0 HA THR A 26 10.498 6.630 -12.102 1.00 0.00 H new ATOM 0 HB THR A 26 11.586 3.974 -11.082 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.665 5.077 -11.141 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.918 4.036 -13.163 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.172 4.085 -13.501 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.141 5.573 -13.609 1.00 0.00 H new ATOM 286 N ASP A 27 8.753 4.138 -10.835 1.00 0.00 N ATOM 287 CA ASP A 27 7.649 3.205 -11.038 1.00 0.00 C ATOM 288 C ASP A 27 6.473 3.570 -10.137 1.00 0.00 C ATOM 289 O ASP A 27 5.925 2.713 -9.437 1.00 0.00 O ATOM 290 CB ASP A 27 8.104 1.772 -10.708 1.00 0.00 C ATOM 291 CG ASP A 27 9.319 1.321 -11.496 1.00 0.00 C ATOM 292 OD1 ASP A 27 10.459 1.552 -11.034 1.00 0.00 O ATOM 293 OD2 ASP A 27 9.146 0.706 -12.564 1.00 0.00 O ATOM 0 H ASP A 27 9.116 4.146 -9.882 1.00 0.00 H new ATOM 0 HA ASP A 27 7.338 3.263 -12.081 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.328 1.708 -9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.280 1.085 -10.902 1.00 0.00 H new ATOM 298 N SER A 28 6.071 4.830 -10.168 1.00 0.00 N ATOM 299 CA SER A 28 4.995 5.326 -9.313 1.00 0.00 C ATOM 300 C SER A 28 3.676 4.595 -9.557 1.00 0.00 C ATOM 301 O SER A 28 2.974 4.234 -8.613 1.00 0.00 O ATOM 302 CB SER A 28 4.817 6.833 -9.521 1.00 0.00 C ATOM 303 OG SER A 28 4.871 7.164 -10.902 1.00 0.00 O ATOM 0 H SER A 28 6.476 5.537 -10.781 1.00 0.00 H new ATOM 0 HA SER A 28 5.280 5.131 -8.279 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.862 7.151 -9.104 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.596 7.373 -8.983 1.00 0.00 H new ATOM 0 HG SER A 28 4.753 8.131 -11.012 1.00 0.00 H new ATOM 309 N ALA A 29 3.353 4.357 -10.813 1.00 0.00 N ATOM 310 CA ALA A 29 2.103 3.708 -11.164 1.00 0.00 C ATOM 311 C ALA A 29 2.094 2.245 -10.742 1.00 0.00 C ATOM 312 O ALA A 29 1.055 1.709 -10.367 1.00 0.00 O ATOM 313 CB ALA A 29 1.846 3.833 -12.654 1.00 0.00 C ATOM 0 H ALA A 29 3.940 4.604 -11.610 1.00 0.00 H new ATOM 0 HA ALA A 29 1.302 4.212 -10.623 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.905 3.342 -12.903 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.788 4.887 -12.926 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.659 3.360 -13.204 1.00 0.00 H new ATOM 319 N GLN A 30 3.256 1.610 -10.782 1.00 0.00 N ATOM 320 CA GLN A 30 3.359 0.195 -10.439 1.00 0.00 C ATOM 321 C GLN A 30 3.213 -0.027 -8.942 1.00 0.00 C ATOM 322 O GLN A 30 2.573 -0.978 -8.510 1.00 0.00 O ATOM 323 CB GLN A 30 4.685 -0.390 -10.919 1.00 0.00 C ATOM 324 CG GLN A 30 4.923 -0.248 -12.412 1.00 0.00 C ATOM 325 CD GLN A 30 6.145 -1.009 -12.875 1.00 0.00 C ATOM 326 OE1 GLN A 30 6.492 -2.054 -12.323 1.00 0.00 O ATOM 327 NE2 GLN A 30 6.819 -0.486 -13.871 1.00 0.00 N ATOM 0 H GLN A 30 4.138 2.048 -11.047 1.00 0.00 H new ATOM 0 HA GLN A 30 2.542 -0.318 -10.946 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.500 0.098 -10.384 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.720 -1.447 -10.656 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.048 -0.608 -12.953 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.040 0.807 -12.660 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.500 0.381 -14.303 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.662 -0.947 -14.214 1.00 0.00 H new ATOM 336 N VAL A 31 3.760 0.881 -8.153 1.00 0.00 N ATOM 337 CA VAL A 31 3.729 0.725 -6.708 1.00 0.00 C ATOM 338 C VAL A 31 2.383 1.162 -6.154 1.00 0.00 C ATOM 339 O VAL A 31 1.950 0.692 -5.111 1.00 0.00 O ATOM 340 CB VAL A 31 4.872 1.498 -6.000 1.00 0.00 C ATOM 341 CG1 VAL A 31 6.229 0.993 -6.465 1.00 0.00 C ATOM 342 CG2 VAL A 31 4.749 2.994 -6.229 1.00 0.00 C ATOM 0 H VAL A 31 4.227 1.726 -8.483 1.00 0.00 H new ATOM 0 HA VAL A 31 3.880 -0.335 -6.503 1.00 0.00 H new ATOM 0 HB VAL A 31 4.785 1.316 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.017 1.548 -5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.323 -0.067 -6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.321 1.136 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.564 3.508 -5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.798 3.204 -7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.796 3.345 -5.834 1.00 0.00 H new ATOM 352 N ALA A 32 1.711 2.036 -6.887 1.00 0.00 N ATOM 353 CA ALA A 32 0.408 2.522 -6.483 1.00 0.00 C ATOM 354 C ALA A 32 -0.664 1.511 -6.848 1.00 0.00 C ATOM 355 O ALA A 32 -1.690 1.409 -6.185 1.00 0.00 O ATOM 356 CB ALA A 32 0.114 3.867 -7.133 1.00 0.00 C ATOM 0 H ALA A 32 2.051 2.422 -7.768 1.00 0.00 H new ATOM 0 HA ALA A 32 0.407 2.657 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.869 4.216 -6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.871 4.591 -6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.130 3.758 -8.217 1.00 0.00 H new ATOM 362 N GLU A 33 -0.411 0.753 -7.905 1.00 0.00 N ATOM 363 CA GLU A 33 -1.355 -0.241 -8.369 1.00 0.00 C ATOM 364 C GLU A 33 -1.289 -1.506 -7.516 1.00 0.00 C ATOM 365 O GLU A 33 -2.321 -2.067 -7.158 1.00 0.00 O ATOM 366 CB GLU A 33 -1.102 -0.572 -9.840 1.00 0.00 C ATOM 367 CG GLU A 33 -2.183 -1.429 -10.476 1.00 0.00 C ATOM 368 CD GLU A 33 -1.993 -1.582 -11.965 1.00 0.00 C ATOM 369 OE1 GLU A 33 -2.289 -0.625 -12.708 1.00 0.00 O ATOM 370 OE2 GLU A 33 -1.554 -2.660 -12.409 1.00 0.00 O ATOM 0 H GLU A 33 0.445 0.811 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.357 0.176 -8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.014 0.358 -10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.146 -1.088 -9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.184 -2.414 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.158 -0.983 -10.281 1.00 0.00 H new ATOM 377 N ILE A 34 -0.077 -1.940 -7.167 1.00 0.00 N ATOM 378 CA ILE A 34 0.101 -3.158 -6.380 1.00 0.00 C ATOM 379 C ILE A 34 -0.560 -3.016 -5.022 1.00 0.00 C ATOM 380 O ILE A 34 -1.267 -3.919 -4.559 1.00 0.00 O ATOM 381 CB ILE A 34 1.606 -3.507 -6.195 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.240 -3.853 -7.547 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.776 -4.665 -5.212 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.728 -4.133 -7.473 1.00 0.00 C ATOM 0 H ILE A 34 0.792 -1.467 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.373 -3.971 -6.930 1.00 0.00 H new ATOM 0 HB ILE A 34 2.114 -2.635 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.736 -4.726 -7.961 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.069 -3.028 -8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.836 -4.892 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.358 -4.386 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.255 -5.544 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.104 -4.370 -8.468 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.245 -3.253 -7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.907 -4.977 -6.807 1.00 0.00 H new ATOM 396 N VAL A 35 -0.354 -1.871 -4.398 1.00 0.00 N ATOM 397 CA VAL A 35 -0.938 -1.608 -3.097 1.00 0.00 C ATOM 398 C VAL A 35 -2.453 -1.437 -3.201 1.00 0.00 C ATOM 399 O VAL A 35 -3.181 -1.667 -2.240 1.00 0.00 O ATOM 400 CB VAL A 35 -0.318 -0.363 -2.431 1.00 0.00 C ATOM 401 CG1 VAL A 35 1.176 -0.540 -2.245 1.00 0.00 C ATOM 402 CG2 VAL A 35 -0.617 0.896 -3.222 1.00 0.00 C ATOM 0 H VAL A 35 0.213 -1.109 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.719 -2.473 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.775 -0.252 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.592 0.350 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.364 -1.407 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.648 -0.691 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.165 1.754 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.205 0.801 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.696 1.039 -3.284 1.00 0.00 H new ATOM 412 N ALA A 36 -2.914 -1.047 -4.377 1.00 0.00 N ATOM 413 CA ALA A 36 -4.327 -0.834 -4.612 1.00 0.00 C ATOM 414 C ALA A 36 -5.059 -2.147 -4.808 1.00 0.00 C ATOM 415 O ALA A 36 -6.060 -2.400 -4.148 1.00 0.00 O ATOM 416 CB ALA A 36 -4.536 0.062 -5.819 1.00 0.00 C ATOM 0 H ALA A 36 -2.322 -0.871 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.738 -0.344 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.604 0.211 -5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.057 1.025 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.098 -0.406 -6.700 1.00 0.00 H new ATOM 422 N VAL A 37 -4.544 -2.979 -5.716 1.00 0.00 N ATOM 423 CA VAL A 37 -5.169 -4.266 -6.050 1.00 0.00 C ATOM 424 C VAL A 37 -5.501 -5.084 -4.804 1.00 0.00 C ATOM 425 O VAL A 37 -6.674 -5.314 -4.503 1.00 0.00 O ATOM 426 CB VAL A 37 -4.276 -5.112 -7.000 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.922 -6.461 -7.295 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.012 -4.361 -8.294 1.00 0.00 C ATOM 0 H VAL A 37 -3.689 -2.784 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.099 -4.023 -6.564 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.324 -5.289 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.278 -7.035 -7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.060 -7.010 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.890 -6.305 -7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.385 -4.969 -8.946 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.958 -4.151 -8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.503 -3.423 -8.073 1.00 0.00 H new ATOM 438 N MET A 38 -4.483 -5.514 -4.079 1.00 0.00 N ATOM 439 CA MET A 38 -4.691 -6.320 -2.884 1.00 0.00 C ATOM 440 C MET A 38 -5.212 -5.468 -1.735 1.00 0.00 C ATOM 441 O MET A 38 -6.099 -5.886 -1.002 1.00 0.00 O ATOM 442 CB MET A 38 -3.373 -7.023 -2.494 1.00 0.00 C ATOM 443 CG MET A 38 -3.513 -8.140 -1.450 1.00 0.00 C ATOM 444 SD MET A 38 -3.791 -7.538 0.235 1.00 0.00 S ATOM 445 CE MET A 38 -2.273 -6.638 0.545 1.00 0.00 C ATOM 0 H MET A 38 -3.505 -5.320 -4.295 1.00 0.00 H new ATOM 0 HA MET A 38 -5.445 -7.078 -3.099 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.923 -7.443 -3.394 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.680 -6.274 -2.111 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.341 -8.789 -1.735 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.611 -8.751 -1.463 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.116 -6.549 1.620 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.435 -7.174 0.099 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.343 -5.643 0.105 1.00 0.00 H new ATOM 455 N GLY A 39 -4.674 -4.260 -1.605 1.00 0.00 N ATOM 456 CA GLY A 39 -5.068 -3.373 -0.520 1.00 0.00 C ATOM 457 C GLY A 39 -6.561 -3.121 -0.476 1.00 0.00 C ATOM 458 O GLY A 39 -7.205 -3.345 0.554 1.00 0.00 O ATOM 0 H GLY A 39 -3.969 -3.876 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.750 -3.805 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.547 -2.422 -0.628 1.00 0.00 H new ATOM 462 N ASN A 40 -7.117 -2.667 -1.591 1.00 0.00 N ATOM 463 CA ASN A 40 -8.546 -2.385 -1.665 1.00 0.00 C ATOM 464 C ASN A 40 -9.363 -3.668 -1.476 1.00 0.00 C ATOM 465 O ASN A 40 -10.422 -3.656 -0.850 1.00 0.00 O ATOM 466 CB ASN A 40 -8.905 -1.678 -2.995 1.00 0.00 C ATOM 467 CG ASN A 40 -9.456 -2.607 -4.069 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.664 -2.834 -4.155 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.583 -3.132 -4.900 1.00 0.00 N ATOM 0 H ASN A 40 -6.604 -2.486 -2.454 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.801 -1.704 -0.853 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.640 -0.899 -2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.014 -1.182 -3.382 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.898 -3.750 -5.647 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.590 -2.921 -4.797 1.00 0.00 H new ATOM 476 N ALA A 41 -8.843 -4.777 -1.996 1.00 0.00 N ATOM 477 CA ALA A 41 -9.507 -6.069 -1.878 1.00 0.00 C ATOM 478 C ALA A 41 -9.501 -6.580 -0.438 1.00 0.00 C ATOM 479 O ALA A 41 -10.391 -7.334 -0.035 1.00 0.00 O ATOM 480 CB ALA A 41 -8.856 -7.085 -2.801 1.00 0.00 C ATOM 0 H ALA A 41 -7.960 -4.805 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.547 -5.932 -2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.363 -8.045 -2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.931 -6.740 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.806 -7.200 -2.533 1.00 0.00 H new ATOM 486 N SER A 42 -8.511 -6.168 0.339 1.00 0.00 N ATOM 487 CA SER A 42 -8.405 -6.605 1.713 1.00 0.00 C ATOM 488 C SER A 42 -9.262 -5.722 2.618 1.00 0.00 C ATOM 489 O SER A 42 -9.933 -6.211 3.521 1.00 0.00 O ATOM 490 CB SER A 42 -6.940 -6.603 2.175 1.00 0.00 C ATOM 491 OG SER A 42 -6.807 -7.164 3.477 1.00 0.00 O ATOM 0 H SER A 42 -7.773 -5.532 0.037 1.00 0.00 H new ATOM 0 HA SER A 42 -8.775 -7.628 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.333 -7.170 1.469 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.558 -5.582 2.176 1.00 0.00 H new ATOM 0 HG SER A 42 -6.476 -6.480 4.096 1.00 0.00 H new ATOM 497 N VAL A 43 -9.262 -4.423 2.363 1.00 0.00 N ATOM 498 CA VAL A 43 -10.052 -3.517 3.175 1.00 0.00 C ATOM 499 C VAL A 43 -11.551 -3.705 2.909 1.00 0.00 C ATOM 500 O VAL A 43 -12.365 -3.671 3.837 1.00 0.00 O ATOM 501 CB VAL A 43 -9.642 -2.029 2.989 1.00 0.00 C ATOM 502 CG1 VAL A 43 -9.861 -1.565 1.562 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.388 -1.136 3.969 1.00 0.00 C ATOM 0 H VAL A 43 -8.732 -3.980 1.612 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.846 -3.773 4.214 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.575 -1.953 3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.564 -0.520 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.262 -2.174 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.915 -1.666 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.085 -0.100 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.461 -1.228 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.153 -1.440 4.989 1.00 0.00 H new ATOM 513 N ALA A 44 -11.922 -3.959 1.650 1.00 0.00 N ATOM 514 CA ALA A 44 -13.317 -4.141 1.290 1.00 0.00 C ATOM 515 C ALA A 44 -13.827 -5.504 1.728 1.00 0.00 C ATOM 516 O ALA A 44 -15.015 -5.765 1.693 1.00 0.00 O ATOM 517 CB ALA A 44 -13.503 -3.974 -0.210 1.00 0.00 C ATOM 0 H ALA A 44 -11.271 -4.042 0.869 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.897 -3.378 1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.554 -4.113 -0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.188 -2.974 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.901 -4.715 -0.736 1.00 0.00 H new ATOM 523 N SER A 45 -12.923 -6.363 2.150 1.00 0.00 N ATOM 524 CA SER A 45 -13.318 -7.703 2.549 1.00 0.00 C ATOM 525 C SER A 45 -13.726 -7.710 4.012 1.00 0.00 C ATOM 526 O SER A 45 -14.284 -8.688 4.516 1.00 0.00 O ATOM 527 CB SER A 45 -12.208 -8.732 2.282 1.00 0.00 C ATOM 528 OG SER A 45 -11.084 -8.512 3.105 1.00 0.00 O ATOM 0 H SER A 45 -11.925 -6.165 2.226 1.00 0.00 H new ATOM 0 HA SER A 45 -14.174 -7.996 1.941 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.594 -9.737 2.454 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.908 -8.681 1.235 1.00 0.00 H new ATOM 0 HG SER A 45 -10.868 -7.556 3.115 1.00 0.00 H new ATOM 534 N ARG A 46 -13.452 -6.600 4.696 1.00 0.00 N ATOM 535 CA ARG A 46 -13.773 -6.496 6.110 1.00 0.00 C ATOM 536 C ARG A 46 -14.799 -5.399 6.348 1.00 0.00 C ATOM 537 O ARG A 46 -15.519 -5.422 7.342 1.00 0.00 O ATOM 538 CB ARG A 46 -12.502 -6.192 6.923 1.00 0.00 C ATOM 539 CG ARG A 46 -11.304 -7.059 6.557 1.00 0.00 C ATOM 540 CD ARG A 46 -11.590 -8.533 6.773 1.00 0.00 C ATOM 541 NE ARG A 46 -10.562 -9.379 6.171 1.00 0.00 N ATOM 542 CZ ARG A 46 -10.804 -10.562 5.608 1.00 0.00 C ATOM 543 NH1 ARG A 46 -12.037 -11.056 5.598 1.00 0.00 N ATOM 544 NH2 ARG A 46 -9.810 -11.248 5.053 1.00 0.00 N ATOM 0 H ARG A 46 -13.013 -5.771 4.295 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.191 -7.449 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.235 -5.145 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.722 -6.324 7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.037 -6.889 5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.444 -6.763 7.158 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.650 -8.739 7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.561 -8.781 6.345 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.599 -9.043 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.801 -10.529 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.220 -11.962 5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.863 -10.869 5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.994 -12.154 4.622 1.00 0.00 H new ATOM 558 N ASP A 47 -14.878 -4.455 5.424 1.00 0.00 N ATOM 559 CA ASP A 47 -15.797 -3.333 5.558 1.00 0.00 C ATOM 560 C ASP A 47 -16.912 -3.373 4.509 1.00 0.00 C ATOM 561 O ASP A 47 -18.077 -3.132 4.829 1.00 0.00 O ATOM 562 CB ASP A 47 -15.027 -2.030 5.454 1.00 0.00 C ATOM 563 CG ASP A 47 -15.928 -0.836 5.564 1.00 0.00 C ATOM 564 OD1 ASP A 47 -16.387 -0.529 6.687 1.00 0.00 O ATOM 565 OD2 ASP A 47 -16.195 -0.213 4.532 1.00 0.00 O ATOM 0 H ASP A 47 -14.317 -4.442 4.572 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.272 -3.405 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.274 -1.990 6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.496 -1.997 4.503 1.00 0.00 H new ATOM 570 N LEU A 48 -16.528 -3.654 3.256 1.00 0.00 N ATOM 571 CA LEU A 48 -17.470 -3.787 2.120 1.00 0.00 C ATOM 572 C LEU A 48 -17.982 -2.447 1.572 1.00 0.00 C ATOM 573 O LEU A 48 -18.640 -2.421 0.534 1.00 0.00 O ATOM 574 CB LEU A 48 -18.649 -4.712 2.465 1.00 0.00 C ATOM 575 CG LEU A 48 -18.314 -6.198 2.604 1.00 0.00 C ATOM 576 CD1 LEU A 48 -19.492 -6.951 3.185 1.00 0.00 C ATOM 577 CD2 LEU A 48 -17.928 -6.790 1.255 1.00 0.00 C ATOM 0 H LEU A 48 -15.553 -3.797 2.994 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.885 -4.242 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -19.092 -4.370 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -19.410 -4.602 1.693 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.465 -6.295 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -19.239 -8.007 3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -19.732 -6.548 4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -20.354 -6.841 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.693 -7.848 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.759 -6.680 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.055 -6.267 0.865 1.00 0.00 H new ATOM 589 N LYS A 49 -17.678 -1.339 2.241 1.00 0.00 N ATOM 590 CA LYS A 49 -18.127 -0.030 1.751 1.00 0.00 C ATOM 591 C LYS A 49 -17.112 0.570 0.788 1.00 0.00 C ATOM 592 O LYS A 49 -17.249 1.712 0.344 1.00 0.00 O ATOM 593 CB LYS A 49 -18.395 0.933 2.903 1.00 0.00 C ATOM 594 CG LYS A 49 -19.473 0.462 3.863 1.00 0.00 C ATOM 595 CD LYS A 49 -19.669 1.446 5.005 1.00 0.00 C ATOM 596 CE LYS A 49 -18.377 1.665 5.779 1.00 0.00 C ATOM 597 NZ LYS A 49 -18.582 2.520 6.966 1.00 0.00 N ATOM 0 H LYS A 49 -17.136 -1.314 3.105 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.063 -0.187 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.470 1.086 3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.685 1.901 2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -20.412 0.336 3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.203 -0.515 4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.024 2.398 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.440 1.074 5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.974 0.702 6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.636 2.124 5.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.678 2.644 7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.943 3.448 6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.270 2.070 7.603 1.00 0.00 H new ATOM 611 N ILE A 50 -16.088 -0.198 0.476 1.00 0.00 N ATOM 612 CA ILE A 50 -15.085 0.222 -0.475 1.00 0.00 C ATOM 613 C ILE A 50 -15.502 -0.230 -1.872 1.00 0.00 C ATOM 614 O ILE A 50 -15.621 -1.429 -2.139 1.00 0.00 O ATOM 615 CB ILE A 50 -13.662 -0.331 -0.122 1.00 0.00 C ATOM 616 CG1 ILE A 50 -13.074 0.396 1.101 1.00 0.00 C ATOM 617 CG2 ILE A 50 -12.713 -0.207 -1.310 1.00 0.00 C ATOM 618 CD1 ILE A 50 -13.708 0.017 2.421 1.00 0.00 C ATOM 0 H ILE A 50 -15.930 -1.124 0.873 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.016 1.309 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.774 -1.387 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.005 0.188 1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.182 1.471 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.733 -0.599 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.108 -0.775 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.619 0.842 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.233 0.576 3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.772 0.252 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.577 -1.051 2.594 1.00 0.00 H new ATOM 630 N GLU A 51 -15.745 0.734 -2.744 1.00 0.00 N ATOM 631 CA GLU A 51 -16.212 0.428 -4.086 1.00 0.00 C ATOM 632 C GLU A 51 -15.815 1.494 -5.103 1.00 0.00 C ATOM 633 O GLU A 51 -16.102 2.681 -4.926 1.00 0.00 O ATOM 634 CB GLU A 51 -17.736 0.227 -4.089 1.00 0.00 C ATOM 635 CG GLU A 51 -18.526 1.458 -3.667 1.00 0.00 C ATOM 636 CD GLU A 51 -20.004 1.190 -3.548 1.00 0.00 C ATOM 637 OE1 GLU A 51 -20.613 0.716 -4.529 1.00 0.00 O ATOM 638 OE2 GLU A 51 -20.573 1.457 -2.474 1.00 0.00 O ATOM 0 H GLU A 51 -15.628 1.728 -2.549 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.724 -0.498 -4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.051 -0.068 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -17.984 -0.598 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.148 1.816 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.363 2.255 -4.392 1.00 0.00 H new ATOM 645 N GLN A 52 -15.121 1.052 -6.152 1.00 0.00 N ATOM 646 CA GLN A 52 -14.746 1.900 -7.299 1.00 0.00 C ATOM 647 C GLN A 52 -13.894 3.119 -6.931 1.00 0.00 C ATOM 648 O GLN A 52 -13.694 3.984 -7.766 1.00 0.00 O ATOM 649 CB GLN A 52 -15.999 2.359 -8.045 1.00 0.00 C ATOM 650 CG GLN A 52 -16.711 1.253 -8.798 1.00 0.00 C ATOM 651 CD GLN A 52 -18.017 1.711 -9.421 1.00 0.00 C ATOM 652 OE1 GLN A 52 -18.710 2.620 -8.754 1.00 0.00 O flip ATOM 653 NE2 GLN A 52 -18.408 1.237 -10.490 1.00 0.00 N flip ATOM 0 H GLN A 52 -14.798 0.088 -6.236 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.123 1.273 -7.937 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.692 2.802 -7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -15.723 3.144 -8.749 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -16.055 0.872 -9.580 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.909 0.425 -8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -17.845 0.538 -10.974 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.295 1.544 -10.890 1.00 0.00 H new ATOM 662 N SER A 53 -13.433 3.199 -5.693 1.00 0.00 N ATOM 663 CA SER A 53 -12.604 4.320 -5.238 1.00 0.00 C ATOM 664 C SER A 53 -11.180 4.299 -5.839 1.00 0.00 C ATOM 665 O SER A 53 -10.328 3.512 -5.412 1.00 0.00 O ATOM 666 CB SER A 53 -12.530 4.307 -3.710 1.00 0.00 C ATOM 667 OG SER A 53 -13.831 4.258 -3.138 1.00 0.00 O ATOM 0 H SER A 53 -13.617 2.498 -4.975 1.00 0.00 H new ATOM 0 HA SER A 53 -13.076 5.238 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.950 3.446 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.008 5.198 -3.360 1.00 0.00 H new ATOM 0 HG SER A 53 -13.759 4.249 -2.161 1.00 0.00 H new ATOM 673 N PRO A 54 -10.903 5.168 -6.850 1.00 0.00 N ATOM 674 CA PRO A 54 -9.585 5.291 -7.451 1.00 0.00 C ATOM 675 C PRO A 54 -8.684 6.182 -6.605 1.00 0.00 C ATOM 676 O PRO A 54 -7.470 6.185 -6.758 1.00 0.00 O ATOM 677 CB PRO A 54 -9.859 5.952 -8.822 1.00 0.00 C ATOM 678 CG PRO A 54 -11.346 6.147 -8.891 1.00 0.00 C ATOM 679 CD PRO A 54 -11.842 6.096 -7.478 1.00 0.00 C ATOM 0 HA PRO A 54 -9.075 4.331 -7.536 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.335 6.904 -8.909 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.509 5.320 -9.638 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.592 7.102 -9.355 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.813 5.369 -9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.821 7.078 -7.004 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.869 5.736 -7.421 1.00 0.00 H new ATOM 687 N GLU A 55 -9.301 6.918 -5.688 1.00 0.00 N ATOM 688 CA GLU A 55 -8.580 7.842 -4.828 1.00 0.00 C ATOM 689 C GLU A 55 -8.034 7.102 -3.616 1.00 0.00 C ATOM 690 O GLU A 55 -7.076 7.543 -2.976 1.00 0.00 O ATOM 691 CB GLU A 55 -9.504 8.973 -4.372 1.00 0.00 C ATOM 692 CG GLU A 55 -8.797 10.078 -3.607 1.00 0.00 C ATOM 693 CD GLU A 55 -9.762 11.036 -2.954 1.00 0.00 C ATOM 694 OE1 GLU A 55 -10.276 11.930 -3.647 1.00 0.00 O ATOM 695 OE2 GLU A 55 -10.004 10.903 -1.738 1.00 0.00 O ATOM 0 H GLU A 55 -10.307 6.890 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.751 8.270 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.991 9.405 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.290 8.555 -3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.157 9.635 -2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.148 10.629 -4.287 1.00 0.00 H new ATOM 702 N LEU A 56 -8.647 5.962 -3.310 1.00 0.00 N ATOM 703 CA LEU A 56 -8.246 5.156 -2.168 1.00 0.00 C ATOM 704 C LEU A 56 -6.795 4.714 -2.337 1.00 0.00 C ATOM 705 O LEU A 56 -6.026 4.726 -1.385 1.00 0.00 O ATOM 706 CB LEU A 56 -9.186 3.936 -2.025 1.00 0.00 C ATOM 707 CG LEU A 56 -9.301 3.288 -0.623 1.00 0.00 C ATOM 708 CD1 LEU A 56 -8.020 2.572 -0.224 1.00 0.00 C ATOM 709 CD2 LEU A 56 -9.679 4.331 0.424 1.00 0.00 C ATOM 0 H LEU A 56 -9.427 5.577 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.322 5.750 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.184 4.241 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.853 3.169 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.093 2.541 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.142 2.131 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.802 1.786 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.196 3.285 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.754 3.855 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.915 5.107 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.638 4.777 0.163 1.00 0.00 H new ATOM 721 N SER A 57 -6.427 4.374 -3.568 1.00 0.00 N ATOM 722 CA SER A 57 -5.069 3.920 -3.866 1.00 0.00 C ATOM 723 C SER A 57 -4.044 5.033 -3.600 1.00 0.00 C ATOM 724 O SER A 57 -3.093 4.848 -2.843 1.00 0.00 O ATOM 725 CB SER A 57 -4.980 3.446 -5.317 1.00 0.00 C ATOM 726 OG SER A 57 -5.438 4.447 -6.211 1.00 0.00 O ATOM 0 H SER A 57 -7.048 4.403 -4.376 1.00 0.00 H new ATOM 0 HA SER A 57 -4.835 3.084 -3.207 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.949 3.186 -5.555 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.574 2.541 -5.444 1.00 0.00 H new ATOM 0 HG SER A 57 -6.369 4.671 -6.002 1.00 0.00 H new ATOM 732 N ALA A 58 -4.247 6.175 -4.248 1.00 0.00 N ATOM 733 CA ALA A 58 -3.385 7.347 -4.075 1.00 0.00 C ATOM 734 C ALA A 58 -3.111 7.652 -2.596 1.00 0.00 C ATOM 735 O ALA A 58 -1.979 7.938 -2.214 1.00 0.00 O ATOM 736 CB ALA A 58 -4.005 8.559 -4.757 1.00 0.00 C ATOM 0 H ALA A 58 -5.012 6.318 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.427 7.119 -4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.356 9.424 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.123 8.357 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.980 8.765 -4.316 1.00 0.00 H new ATOM 742 N LYS A 59 -4.142 7.570 -1.771 1.00 0.00 N ATOM 743 CA LYS A 59 -4.003 7.871 -0.351 1.00 0.00 C ATOM 744 C LYS A 59 -3.401 6.696 0.431 1.00 0.00 C ATOM 745 O LYS A 59 -2.559 6.896 1.314 1.00 0.00 O ATOM 746 CB LYS A 59 -5.357 8.275 0.235 1.00 0.00 C ATOM 747 CG LYS A 59 -5.966 9.491 -0.452 1.00 0.00 C ATOM 748 CD LYS A 59 -7.308 9.883 0.149 1.00 0.00 C ATOM 749 CE LYS A 59 -8.347 8.782 -0.005 1.00 0.00 C ATOM 750 NZ LYS A 59 -9.710 9.265 0.336 1.00 0.00 N ATOM 0 H LYS A 59 -5.083 7.299 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.309 8.706 -0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.047 7.435 0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.238 8.487 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.277 10.332 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.094 9.280 -1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.178 10.113 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.669 10.792 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.337 8.413 -1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.086 7.942 0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.284 8.469 0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.645 9.992 1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.156 9.672 -0.511 1.00 0.00 H new ATOM 764 N VAL A 60 -3.833 5.476 0.101 1.00 0.00 N ATOM 765 CA VAL A 60 -3.351 4.262 0.785 1.00 0.00 C ATOM 766 C VAL A 60 -1.830 4.084 0.643 1.00 0.00 C ATOM 767 O VAL A 60 -1.219 3.380 1.425 1.00 0.00 O ATOM 768 CB VAL A 60 -4.085 2.971 0.304 1.00 0.00 C ATOM 769 CG1 VAL A 60 -3.517 2.450 -1.007 1.00 0.00 C ATOM 770 CG2 VAL A 60 -4.040 1.892 1.377 1.00 0.00 C ATOM 0 H VAL A 60 -4.516 5.297 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.585 4.408 1.840 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.126 3.238 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.056 1.551 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.626 3.212 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.461 2.213 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.558 1.002 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.002 1.644 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.528 2.257 2.281 1.00 0.00 H new ATOM 780 N VAL A 61 -1.231 4.732 -0.353 1.00 0.00 N ATOM 781 CA VAL A 61 0.214 4.645 -0.547 1.00 0.00 C ATOM 782 C VAL A 61 0.901 5.911 -0.014 1.00 0.00 C ATOM 783 O VAL A 61 2.053 5.871 0.432 1.00 0.00 O ATOM 784 CB VAL A 61 0.604 4.407 -2.037 1.00 0.00 C ATOM 785 CG1 VAL A 61 0.284 5.618 -2.904 1.00 0.00 C ATOM 786 CG2 VAL A 61 2.080 4.015 -2.161 1.00 0.00 C ATOM 0 H VAL A 61 -1.718 5.317 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 61 0.560 3.779 0.017 1.00 0.00 H new ATOM 0 HB VAL A 61 0.000 3.577 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.570 5.413 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.785 5.826 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.837 6.483 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.327 3.855 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.704 4.814 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.261 3.097 -1.601 1.00 0.00 H new ATOM 796 N GLU A 62 0.160 7.018 -0.039 1.00 0.00 N ATOM 797 CA GLU A 62 0.653 8.319 0.410 1.00 0.00 C ATOM 798 C GLU A 62 1.014 8.293 1.894 1.00 0.00 C ATOM 799 O GLU A 62 2.135 8.626 2.277 1.00 0.00 O ATOM 800 CB GLU A 62 -0.414 9.386 0.144 1.00 0.00 C ATOM 801 CG GLU A 62 -0.024 10.791 0.565 1.00 0.00 C ATOM 802 CD GLU A 62 -1.106 11.801 0.256 1.00 0.00 C ATOM 803 OE1 GLU A 62 -2.007 11.996 1.098 1.00 0.00 O ATOM 804 OE2 GLU A 62 -1.061 12.411 -0.830 1.00 0.00 O ATOM 0 H GLU A 62 -0.804 7.037 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 62 1.559 8.558 -0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.645 9.391 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.328 9.105 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.187 10.803 1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.896 11.079 0.056 1.00 0.00 H new ATOM 811 N LYS A 63 0.069 7.886 2.720 1.00 0.00 N ATOM 812 CA LYS A 63 0.295 7.836 4.155 1.00 0.00 C ATOM 813 C LYS A 63 1.124 6.607 4.518 1.00 0.00 C ATOM 814 O LYS A 63 1.896 6.623 5.472 1.00 0.00 O ATOM 815 CB LYS A 63 -1.041 7.829 4.902 1.00 0.00 C ATOM 816 CG LYS A 63 -1.955 8.988 4.523 1.00 0.00 C ATOM 817 CD LYS A 63 -3.204 9.027 5.387 1.00 0.00 C ATOM 818 CE LYS A 63 -4.132 10.152 4.959 1.00 0.00 C ATOM 819 NZ LYS A 63 -5.234 10.362 5.929 1.00 0.00 N ATOM 0 H LYS A 63 -0.860 7.586 2.425 1.00 0.00 H new ATOM 0 HA LYS A 63 0.851 8.724 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.556 6.890 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.849 7.864 5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.412 9.928 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.241 8.898 3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.728 8.074 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.923 9.161 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.560 11.074 4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.550 9.924 3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.843 11.138 5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.796 9.491 6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.836 10.605 6.859 1.00 0.00 H new ATOM 833 N LEU A 64 0.966 5.562 3.721 1.00 0.00 N ATOM 834 CA LEU A 64 1.671 4.297 3.920 1.00 0.00 C ATOM 835 C LEU A 64 3.186 4.488 3.959 1.00 0.00 C ATOM 836 O LEU A 64 3.832 4.180 4.959 1.00 0.00 O ATOM 837 CB LEU A 64 1.303 3.323 2.806 1.00 0.00 C ATOM 838 CG LEU A 64 2.013 1.975 2.815 1.00 0.00 C ATOM 839 CD1 LEU A 64 1.620 1.181 4.037 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.695 1.197 1.547 1.00 0.00 C ATOM 0 H LEU A 64 0.343 5.563 2.913 1.00 0.00 H new ATOM 0 HA LEU A 64 1.363 3.894 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.229 3.142 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.504 3.807 1.850 1.00 0.00 H new ATOM 0 HG LEU A 64 3.088 2.151 2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.136 0.221 4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.897 1.734 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.543 1.014 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.210 0.237 1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.620 1.030 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.027 1.766 0.678 1.00 0.00 H new ATOM 852 N ASN A 65 3.748 5.015 2.871 1.00 0.00 N ATOM 853 CA ASN A 65 5.193 5.191 2.773 1.00 0.00 C ATOM 854 C ASN A 65 5.706 6.152 3.830 1.00 0.00 C ATOM 855 O ASN A 65 6.868 6.107 4.191 1.00 0.00 O ATOM 856 CB ASN A 65 5.615 5.669 1.372 1.00 0.00 C ATOM 857 CG ASN A 65 5.394 7.158 1.143 1.00 0.00 C ATOM 858 OD1 ASN A 65 6.258 7.976 1.449 1.00 0.00 O ATOM 859 ND2 ASN A 65 4.253 7.517 0.597 1.00 0.00 N ATOM 0 H ASN A 65 3.227 5.325 2.051 1.00 0.00 H new ATOM 0 HA ASN A 65 5.642 4.213 2.947 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.670 5.440 1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.057 5.108 0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.063 8.502 0.415 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.558 6.810 0.356 1.00 0.00 H new ATOM 866 N GLN A 66 4.828 7.013 4.329 1.00 0.00 N ATOM 867 CA GLN A 66 5.204 7.960 5.355 1.00 0.00 C ATOM 868 C GLN A 66 5.466 7.219 6.659 1.00 0.00 C ATOM 869 O GLN A 66 6.471 7.448 7.325 1.00 0.00 O ATOM 870 CB GLN A 66 4.105 9.008 5.544 1.00 0.00 C ATOM 871 CG GLN A 66 4.631 10.424 5.748 1.00 0.00 C ATOM 872 CD GLN A 66 5.122 11.078 4.454 1.00 0.00 C ATOM 873 OE1 GLN A 66 5.571 10.278 3.503 1.00 0.00 O flip ATOM 874 NE2 GLN A 66 5.078 12.301 4.312 1.00 0.00 N flip ATOM 0 H GLN A 66 3.853 7.070 4.036 1.00 0.00 H new ATOM 0 HA GLN A 66 6.114 8.476 5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.451 8.996 4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.495 8.730 6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.842 11.039 6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.449 10.401 6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.725 12.890 5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.394 12.725 3.440 1.00 0.00 H new ATOM 883 N VAL A 67 4.547 6.333 7.014 1.00 0.00 N ATOM 884 CA VAL A 67 4.705 5.498 8.200 1.00 0.00 C ATOM 885 C VAL A 67 5.939 4.604 8.052 1.00 0.00 C ATOM 886 O VAL A 67 6.773 4.518 8.957 1.00 0.00 O ATOM 887 CB VAL A 67 3.467 4.598 8.436 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.572 3.882 9.770 1.00 0.00 C ATOM 889 CG2 VAL A 67 2.178 5.404 8.360 1.00 0.00 C ATOM 0 H VAL A 67 3.682 6.172 6.498 1.00 0.00 H new ATOM 0 HA VAL A 67 4.820 6.166 9.053 1.00 0.00 H new ATOM 0 HB VAL A 67 3.442 3.850 7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.693 3.255 9.917 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.467 3.260 9.780 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.632 4.616 10.573 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.326 4.745 8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.191 6.184 9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.092 5.861 7.374 1.00 0.00 H new ATOM 899 N CYS A 68 6.053 3.965 6.895 1.00 0.00 N ATOM 900 CA CYS A 68 7.171 3.071 6.594 1.00 0.00 C ATOM 901 C CYS A 68 8.487 3.838 6.469 1.00 0.00 C ATOM 902 O CYS A 68 9.561 3.246 6.439 1.00 0.00 O ATOM 903 CB CYS A 68 6.886 2.319 5.309 1.00 0.00 C ATOM 904 SG CYS A 68 5.261 1.504 5.296 1.00 0.00 S ATOM 0 H CYS A 68 5.375 4.050 6.137 1.00 0.00 H new ATOM 0 HA CYS A 68 7.275 2.367 7.420 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.943 3.013 4.470 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.662 1.569 5.156 1.00 0.00 H new ATOM 909 N ALA A 69 8.396 5.155 6.418 1.00 0.00 N ATOM 910 CA ALA A 69 9.582 5.991 6.331 1.00 0.00 C ATOM 911 C ALA A 69 10.196 6.144 7.710 1.00 0.00 C ATOM 912 O ALA A 69 11.353 6.542 7.855 1.00 0.00 O ATOM 913 CB ALA A 69 9.244 7.353 5.745 1.00 0.00 C ATOM 0 H ALA A 69 7.515 5.669 6.435 1.00 0.00 H new ATOM 0 HA ALA A 69 10.302 5.512 5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.148 7.960 5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.831 7.226 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.511 7.850 6.380 1.00 0.00 H new ATOM 919 N LYS A 70 9.403 5.825 8.725 1.00 0.00 N ATOM 920 CA LYS A 70 9.844 5.896 10.104 1.00 0.00 C ATOM 921 C LYS A 70 10.295 4.527 10.586 1.00 0.00 C ATOM 922 O LYS A 70 11.037 4.415 11.569 1.00 0.00 O ATOM 923 CB LYS A 70 8.710 6.395 10.997 1.00 0.00 C ATOM 924 CG LYS A 70 8.092 7.702 10.541 1.00 0.00 C ATOM 925 CD LYS A 70 6.942 8.105 11.441 1.00 0.00 C ATOM 926 CE LYS A 70 6.241 9.340 10.916 1.00 0.00 C ATOM 927 NZ LYS A 70 5.105 9.740 11.781 1.00 0.00 N ATOM 0 H LYS A 70 8.439 5.511 8.612 1.00 0.00 H new ATOM 0 HA LYS A 70 10.681 6.592 10.159 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.932 5.633 11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.089 6.519 12.012 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.850 8.486 10.541 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.737 7.602 9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.230 7.283 11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.314 8.295 12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.954 10.162 10.850 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.879 9.150 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.651 10.589 11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.412 8.966 11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.454 9.946 12.739 1.00 0.00 H new ATOM 941 N ASP A 71 9.863 3.485 9.884 1.00 0.00 N ATOM 942 CA ASP A 71 10.194 2.112 10.255 1.00 0.00 C ATOM 943 C ASP A 71 10.442 1.269 9.012 1.00 0.00 C ATOM 944 O ASP A 71 9.499 0.847 8.344 1.00 0.00 O ATOM 945 CB ASP A 71 9.079 1.471 11.096 1.00 0.00 C ATOM 946 CG ASP A 71 9.159 1.823 12.565 1.00 0.00 C ATOM 947 OD1 ASP A 71 9.996 1.222 13.277 1.00 0.00 O ATOM 948 OD2 ASP A 71 8.381 2.688 13.023 1.00 0.00 O ATOM 0 H ASP A 71 9.280 3.565 9.051 1.00 0.00 H new ATOM 0 HA ASP A 71 11.102 2.147 10.857 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.112 1.788 10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.128 0.388 10.986 1.00 0.00 H new ATOM 953 N PRO A 72 11.719 1.014 8.680 1.00 0.00 N ATOM 954 CA PRO A 72 12.091 0.210 7.503 1.00 0.00 C ATOM 955 C PRO A 72 11.638 -1.243 7.633 1.00 0.00 C ATOM 956 O PRO A 72 11.568 -1.971 6.650 1.00 0.00 O ATOM 957 CB PRO A 72 13.629 0.285 7.482 1.00 0.00 C ATOM 958 CG PRO A 72 13.975 1.438 8.365 1.00 0.00 C ATOM 959 CD PRO A 72 12.902 1.497 9.406 1.00 0.00 C ATOM 0 HA PRO A 72 11.621 0.583 6.593 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.074 -0.640 7.849 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.002 0.438 6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.955 1.299 8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.018 2.366 7.796 1.00 0.00 H new ATOM 0 HD2 PRO A 72 13.136 0.867 10.264 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.760 2.510 9.784 1.00 0.00 H new ATOM 967 N GLN A 73 11.331 -1.652 8.859 1.00 0.00 N ATOM 968 CA GLN A 73 10.887 -3.017 9.142 1.00 0.00 C ATOM 969 C GLN A 73 9.467 -3.280 8.631 1.00 0.00 C ATOM 970 O GLN A 73 8.984 -4.411 8.692 1.00 0.00 O ATOM 971 CB GLN A 73 10.942 -3.280 10.646 1.00 0.00 C ATOM 972 CG GLN A 73 12.331 -3.182 11.244 1.00 0.00 C ATOM 973 CD GLN A 73 12.321 -3.344 12.748 1.00 0.00 C ATOM 974 OE1 GLN A 73 12.417 -4.454 13.265 1.00 0.00 O ATOM 975 NE2 GLN A 73 12.209 -2.238 13.460 1.00 0.00 N ATOM 0 H GLN A 73 11.382 -1.052 9.683 1.00 0.00 H new ATOM 0 HA GLN A 73 11.561 -3.693 8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.290 -2.568 11.152 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.543 -4.275 10.844 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.969 -3.948 10.803 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.767 -2.217 10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.132 -1.335 12.991 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.200 -2.286 14.479 1.00 0.00 H new ATOM 984 N MET A 74 8.807 -2.245 8.145 1.00 0.00 N ATOM 985 CA MET A 74 7.440 -2.376 7.662 1.00 0.00 C ATOM 986 C MET A 74 7.395 -2.856 6.215 1.00 0.00 C ATOM 987 O MET A 74 7.659 -2.088 5.282 1.00 0.00 O ATOM 988 CB MET A 74 6.683 -1.053 7.805 1.00 0.00 C ATOM 989 CG MET A 74 6.548 -0.573 9.242 1.00 0.00 C ATOM 990 SD MET A 74 5.606 0.960 9.388 1.00 0.00 S ATOM 991 CE MET A 74 4.010 0.439 8.759 1.00 0.00 C ATOM 0 H MET A 74 9.193 -1.304 8.073 1.00 0.00 H new ATOM 0 HA MET A 74 6.951 -3.130 8.279 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.196 -0.287 7.223 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.688 -1.167 7.375 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.063 -1.349 9.834 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.542 -0.424 9.664 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.219 0.872 9.371 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.898 0.776 7.728 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.942 -0.648 8.795 1.00 0.00 H new ATOM 1001 N LEU A 75 7.078 -4.132 6.033 1.00 0.00 N ATOM 1002 CA LEU A 75 6.939 -4.706 4.702 1.00 0.00 C ATOM 1003 C LEU A 75 5.630 -4.249 4.084 1.00 0.00 C ATOM 1004 O LEU A 75 4.708 -3.877 4.797 1.00 0.00 O ATOM 1005 CB LEU A 75 7.003 -6.243 4.740 1.00 0.00 C ATOM 1006 CG LEU A 75 8.406 -6.870 4.861 1.00 0.00 C ATOM 1007 CD1 LEU A 75 9.049 -6.541 6.198 1.00 0.00 C ATOM 1008 CD2 LEU A 75 8.333 -8.376 4.657 1.00 0.00 C ATOM 0 H LEU A 75 6.912 -4.790 6.794 1.00 0.00 H new ATOM 0 HA LEU A 75 7.772 -4.357 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.401 -6.589 5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.535 -6.627 3.833 1.00 0.00 H new ATOM 0 HG LEU A 75 9.033 -6.441 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.037 -6.999 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.144 -5.460 6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.428 -6.928 7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.332 -8.804 4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.682 -8.814 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.933 -8.590 3.666 1.00 0.00 H new ATOM 1020 N LEU A 76 5.554 -4.289 2.764 1.00 0.00 N ATOM 1021 CA LEU A 76 4.380 -3.818 2.035 1.00 0.00 C ATOM 1022 C LEU A 76 3.095 -4.481 2.529 1.00 0.00 C ATOM 1023 O LEU A 76 2.178 -3.802 2.979 1.00 0.00 O ATOM 1024 CB LEU A 76 4.555 -4.075 0.539 1.00 0.00 C ATOM 1025 CG LEU A 76 3.617 -3.301 -0.385 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.907 -1.809 -0.304 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.747 -3.798 -1.816 1.00 0.00 C ATOM 0 H LEU A 76 6.299 -4.647 2.166 1.00 0.00 H new ATOM 0 HA LEU A 76 4.290 -2.747 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.583 -3.834 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.418 -5.140 0.355 1.00 0.00 H new ATOM 0 HG LEU A 76 2.591 -3.470 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.231 -1.270 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.761 -1.465 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.937 -1.622 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.071 -3.235 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.773 -3.660 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.490 -4.857 -1.858 1.00 0.00 H new ATOM 1039 N ILE A 77 3.049 -5.809 2.454 1.00 0.00 N ATOM 1040 CA ILE A 77 1.863 -6.576 2.854 1.00 0.00 C ATOM 1041 C ILE A 77 1.402 -6.227 4.274 1.00 0.00 C ATOM 1042 O ILE A 77 0.231 -5.902 4.492 1.00 0.00 O ATOM 1043 CB ILE A 77 2.116 -8.104 2.759 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.458 -8.509 1.316 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.905 -8.891 3.263 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.360 -8.209 0.313 1.00 0.00 C ATOM 0 H ILE A 77 3.823 -6.383 2.118 1.00 0.00 H new ATOM 0 HA ILE A 77 1.073 -6.300 2.156 1.00 0.00 H new ATOM 0 HB ILE A 77 2.967 -8.344 3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.367 -7.991 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.676 -9.577 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.108 -9.959 3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.711 -8.633 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.033 -8.643 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.679 -8.524 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.455 -8.749 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.156 -7.138 0.306 1.00 0.00 H new ATOM 1058 N THR A 78 2.321 -6.274 5.224 1.00 0.00 N ATOM 1059 CA THR A 78 1.992 -6.007 6.610 1.00 0.00 C ATOM 1060 C THR A 78 1.574 -4.550 6.821 1.00 0.00 C ATOM 1061 O THR A 78 0.580 -4.270 7.493 1.00 0.00 O ATOM 1062 CB THR A 78 3.175 -6.360 7.531 1.00 0.00 C ATOM 1063 OG1 THR A 78 4.383 -5.822 6.985 1.00 0.00 O ATOM 1064 CG2 THR A 78 3.314 -7.866 7.669 1.00 0.00 C ATOM 0 H THR A 78 3.303 -6.495 5.058 1.00 0.00 H new ATOM 0 HA THR A 78 1.143 -6.640 6.869 1.00 0.00 H new ATOM 0 HB THR A 78 2.989 -5.932 8.516 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.135 -6.045 7.572 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.155 -8.095 8.323 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.400 -8.278 8.095 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.487 -8.307 6.687 1.00 0.00 H new ATOM 1072 N ALA A 79 2.348 -3.634 6.270 1.00 0.00 N ATOM 1073 CA ALA A 79 2.038 -2.214 6.360 1.00 0.00 C ATOM 1074 C ALA A 79 0.647 -1.890 5.809 1.00 0.00 C ATOM 1075 O ALA A 79 -0.105 -1.128 6.424 1.00 0.00 O ATOM 1076 CB ALA A 79 3.092 -1.407 5.652 1.00 0.00 C ATOM 0 H ALA A 79 3.201 -3.846 5.752 1.00 0.00 H new ATOM 0 HA ALA A 79 2.032 -1.945 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.849 -0.347 5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.062 -1.590 6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.129 -1.698 4.602 1.00 0.00 H new ATOM 1082 N ILE A 80 0.302 -2.467 4.653 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.022 -2.254 4.065 1.00 0.00 C ATOM 1084 C ILE A 80 -2.104 -2.716 5.039 1.00 0.00 C ATOM 1085 O ILE A 80 -3.122 -2.043 5.217 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.188 -2.995 2.707 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.182 -2.464 1.680 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -2.613 -2.841 2.177 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.224 -3.193 0.353 1.00 0.00 C ATOM 0 H ILE A 80 0.914 -3.078 4.112 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.125 -1.186 3.873 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.994 -4.055 2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.376 -1.405 1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.823 -2.541 2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.707 -3.367 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.316 -3.262 2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.834 -1.784 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.515 -2.762 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.000 -4.248 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.217 -3.094 -0.085 1.00 0.00 H new ATOM 1101 N ASP A 81 -1.847 -3.848 5.690 1.00 0.00 N ATOM 1102 CA ASP A 81 -2.759 -4.416 6.693 1.00 0.00 C ATOM 1103 C ASP A 81 -3.063 -3.409 7.805 1.00 0.00 C ATOM 1104 O ASP A 81 -4.199 -3.292 8.262 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.147 -5.692 7.290 1.00 0.00 C ATOM 1106 CG ASP A 81 -2.863 -6.172 8.538 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -3.871 -6.887 8.411 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -2.405 -5.847 9.658 1.00 0.00 O ATOM 0 H ASP A 81 -1.003 -4.401 5.541 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.698 -4.661 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.169 -6.483 6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.100 -5.507 7.528 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.051 -2.669 8.214 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.216 -1.686 9.280 1.00 0.00 C ATOM 1115 C ASP A 82 -2.831 -0.393 8.739 1.00 0.00 C ATOM 1116 O ASP A 82 -3.484 0.347 9.470 1.00 0.00 O ATOM 1117 CB ASP A 82 -0.881 -1.393 9.968 1.00 0.00 C ATOM 1118 CG ASP A 82 -1.056 -0.622 11.267 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.319 -1.263 12.311 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -0.923 0.617 11.253 1.00 0.00 O ATOM 0 H ASP A 82 -1.108 -2.725 7.830 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.896 -2.109 10.019 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.367 -2.332 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.245 -0.822 9.292 1.00 0.00 H new ATOM 1125 N THR A 83 -2.653 -0.145 7.446 1.00 0.00 N ATOM 1126 CA THR A 83 -3.198 1.047 6.825 1.00 0.00 C ATOM 1127 C THR A 83 -4.707 0.895 6.647 1.00 0.00 C ATOM 1128 O THR A 83 -5.476 1.803 6.966 1.00 0.00 O ATOM 1129 CB THR A 83 -2.529 1.318 5.465 1.00 0.00 C ATOM 1130 OG1 THR A 83 -1.107 1.357 5.636 1.00 0.00 O ATOM 1131 CG2 THR A 83 -2.999 2.646 4.884 1.00 0.00 C ATOM 0 H THR A 83 -2.136 -0.755 6.812 1.00 0.00 H new ATOM 0 HA THR A 83 -2.995 1.897 7.477 1.00 0.00 H new ATOM 0 HB THR A 83 -2.805 0.518 4.778 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.781 0.462 5.867 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.513 2.815 3.923 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.080 2.620 4.744 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.741 3.454 5.569 1.00 0.00 H new ATOM 1139 N MET A 84 -5.128 -0.280 6.168 1.00 0.00 N ATOM 1140 CA MET A 84 -6.554 -0.581 6.022 1.00 0.00 C ATOM 1141 C MET A 84 -7.196 -0.675 7.395 1.00 0.00 C ATOM 1142 O MET A 84 -8.400 -0.532 7.546 1.00 0.00 O ATOM 1143 CB MET A 84 -6.776 -1.886 5.243 1.00 0.00 C ATOM 1144 CG MET A 84 -5.931 -3.047 5.735 1.00 0.00 C ATOM 1145 SD MET A 84 -6.497 -4.640 5.132 1.00 0.00 S ATOM 1146 CE MET A 84 -7.897 -4.909 6.209 1.00 0.00 C ATOM 0 H MET A 84 -4.505 -1.033 5.877 1.00 0.00 H new ATOM 0 HA MET A 84 -7.018 0.226 5.455 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.828 -2.162 5.308 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.557 -1.711 4.190 1.00 0.00 H new ATOM 0 HG2 MET A 84 -4.898 -2.894 5.423 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.937 -3.056 6.825 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.744 -5.265 5.623 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.639 -5.654 6.962 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.163 -3.973 6.700 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.364 -0.926 8.391 1.00 0.00 N ATOM 1157 CA ARG A 85 -6.789 -0.976 9.773 1.00 0.00 C ATOM 1158 C ARG A 85 -7.073 0.437 10.282 1.00 0.00 C ATOM 1159 O ARG A 85 -8.086 0.684 10.926 1.00 0.00 O ATOM 1160 CB ARG A 85 -5.685 -1.625 10.610 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.901 -1.569 12.107 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.646 -2.003 12.841 1.00 0.00 C ATOM 1163 NE ARG A 85 -4.792 -1.899 14.288 1.00 0.00 N ATOM 1164 CZ ARG A 85 -3.797 -1.615 15.130 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -2.570 -1.370 14.674 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -4.029 -1.566 16.431 1.00 0.00 N ATOM 0 H ARG A 85 -5.368 -1.102 8.259 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.702 -1.565 9.856 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.589 -2.669 10.311 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.738 -1.138 10.376 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.171 -0.556 12.404 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.734 -2.215 12.385 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.409 -3.033 12.574 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.806 -1.388 12.517 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.719 -2.054 14.684 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.383 -1.398 13.672 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.817 -1.154 15.327 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.967 -1.745 16.789 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.270 -1.349 17.077 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.163 1.357 9.977 1.00 0.00 N ATOM 1181 CA ALA A 86 -6.290 2.752 10.392 1.00 0.00 C ATOM 1182 C ALA A 86 -7.493 3.434 9.740 1.00 0.00 C ATOM 1183 O ALA A 86 -8.252 4.138 10.406 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.010 3.514 10.072 1.00 0.00 C ATOM 0 H ALA A 86 -5.320 1.159 9.438 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.454 2.762 11.470 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.117 4.552 10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.173 3.059 10.602 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.823 3.477 8.999 1.00 0.00 H new ATOM 1190 N ILE A 87 -7.669 3.222 8.439 1.00 0.00 N ATOM 1191 CA ILE A 87 -8.788 3.838 7.721 1.00 0.00 C ATOM 1192 C ILE A 87 -10.034 2.954 7.761 1.00 0.00 C ATOM 1193 O ILE A 87 -11.068 3.288 7.182 1.00 0.00 O ATOM 1194 CB ILE A 87 -8.417 4.211 6.248 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -7.940 2.988 5.441 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -7.356 5.302 6.231 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -9.051 2.212 4.762 1.00 0.00 C ATOM 0 H ILE A 87 -7.062 2.637 7.864 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.015 4.768 8.242 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.323 4.582 5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.232 3.322 4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.400 2.316 6.108 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.107 5.552 5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.738 6.189 6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.462 4.948 6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.626 1.369 4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.749 1.843 5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.578 2.865 4.066 1.00 0.00 H new ATOM 1209 N GLY A 88 -9.930 1.846 8.469 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.039 0.932 8.590 1.00 0.00 C ATOM 1211 C GLY A 88 -11.774 1.128 9.893 1.00 0.00 C ATOM 1212 O GLY A 88 -11.211 0.924 10.969 1.00 0.00 O ATOM 0 H GLY A 88 -9.087 1.561 8.968 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.726 1.079 7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.676 -0.094 8.526 1.00 0.00 H new