USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 8 ASNHD21 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 8 ASNHD22 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD21 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD22 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 61 ASN : amide:sc= -0.183 K(o=-0.25,f=0.49) USER MOD Set 1.2: A 62 THR OG1 : rot -130:sc= -0.0691 USER MOD Set 2.1: A 23 GLN : amide:sc= -0.658 K(o=0.012,f=-9.5!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 175:sc= 0.67 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -2.5! K(o=-2.5!,f=-1.2) USER MOD Single : A 2 THR OG1 : rot -64:sc= 1.21 USER MOD Single : A -2 SER OG : rot 45:sc= 0.0975 USER MOD Single : A -3 GLY N :NH3+ -132:sc= 0.0631 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.423 K(o=0.42,f=-7.5!) USER MOD Single : A 20 MET CE :methyl -155:sc= -0.42 (180deg=-0.904) USER MOD Single : A 21 MET CE :methyl -114:sc= -1.84 (180deg=-2.69) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0377 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.9) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 1.29 (180deg=1.22) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.000293 X(o=-0.00029,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 11.805 3.224 10.590 1.00 0.00 N ATOM 2 CA GLY A -3 10.792 3.747 11.498 1.00 0.00 C ATOM 3 C GLY A -3 11.216 3.583 12.926 1.00 0.00 C ATOM 4 O GLY A -3 12.417 3.590 13.221 1.00 0.00 O ATOM 0 H1 GLY A -3 11.993 3.921 9.841 1.00 0.00 H new ATOM 0 H2 GLY A -3 12.682 3.038 11.118 1.00 0.00 H new ATOM 0 H3 GLY A -3 11.464 2.339 10.162 1.00 0.00 H new ATOM 0 HA2 GLY A -3 10.617 4.802 11.285 1.00 0.00 H new ATOM 0 HA3 GLY A -3 9.848 3.228 11.333 1.00 0.00 H new ATOM 10 N SER A -2 10.260 3.437 13.818 1.00 0.00 N ATOM 11 CA SER A -2 10.547 3.263 15.213 1.00 0.00 C ATOM 12 C SER A -2 9.693 2.131 15.820 1.00 0.00 C ATOM 13 O SER A -2 8.515 2.334 16.131 1.00 0.00 O ATOM 14 CB SER A -2 10.349 4.607 15.942 1.00 0.00 C ATOM 15 OG SER A -2 9.091 5.194 15.602 1.00 0.00 O ATOM 0 H SER A -2 9.266 3.437 13.590 1.00 0.00 H new ATOM 0 HA SER A -2 11.586 2.958 15.338 1.00 0.00 H new ATOM 0 HB2 SER A -2 10.402 4.452 17.020 1.00 0.00 H new ATOM 0 HB3 SER A -2 11.156 5.290 15.678 1.00 0.00 H new ATOM 0 HG SER A -2 8.391 4.509 15.633 1.00 0.00 H new ATOM 21 N ALA A -1 10.289 0.921 15.895 1.00 0.00 N ATOM 22 CA ALA A -1 9.671 -0.310 16.462 1.00 0.00 C ATOM 23 C ALA A -1 8.497 -0.828 15.616 1.00 0.00 C ATOM 24 O ALA A -1 8.611 -1.841 14.918 1.00 0.00 O ATOM 25 CB ALA A -1 9.281 -0.133 17.940 1.00 0.00 C ATOM 0 H ALA A -1 11.238 0.763 15.556 1.00 0.00 H new ATOM 0 HA ALA A -1 10.440 -1.082 16.424 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.834 -1.055 18.311 1.00 0.00 H new ATOM 0 HB2 ALA A -1 10.170 0.101 18.525 1.00 0.00 H new ATOM 0 HB3 ALA A -1 8.562 0.681 18.032 1.00 0.00 H new ATOM 31 N SER A 0 7.408 -0.135 15.665 1.00 0.00 N ATOM 32 CA SER A 0 6.247 -0.462 14.905 1.00 0.00 C ATOM 33 C SER A 0 5.878 0.752 14.081 1.00 0.00 C ATOM 34 O SER A 0 5.472 1.787 14.621 1.00 0.00 O ATOM 35 CB SER A 0 5.106 -0.882 15.833 1.00 0.00 C ATOM 36 OG SER A 0 5.501 -1.986 16.643 1.00 0.00 O ATOM 0 H SER A 0 7.298 0.694 16.249 1.00 0.00 H new ATOM 0 HA SER A 0 6.442 -1.305 14.242 1.00 0.00 H new ATOM 0 HB2 SER A 0 4.818 -0.043 16.467 1.00 0.00 H new ATOM 0 HB3 SER A 0 4.230 -1.152 15.243 1.00 0.00 H new ATOM 0 HG SER A 0 4.760 -2.241 17.232 1.00 0.00 H new ATOM 42 N ASN A 1 6.094 0.651 12.802 1.00 0.00 N ATOM 43 CA ASN A 1 5.839 1.725 11.891 1.00 0.00 C ATOM 44 C ASN A 1 5.077 1.177 10.730 1.00 0.00 C ATOM 45 O ASN A 1 5.657 0.650 9.779 1.00 0.00 O ATOM 46 CB ASN A 1 7.177 2.404 11.444 1.00 0.00 C ATOM 47 CG ASN A 1 7.065 3.629 10.469 1.00 0.00 C ATOM 48 OD1 ASN A 1 7.839 4.579 10.587 1.00 0.00 O ATOM 49 ND2 ASN A 1 6.213 3.583 9.468 1.00 0.00 N ATOM 0 H ASN A 1 6.457 -0.192 12.358 1.00 0.00 H new ATOM 0 HA ASN A 1 5.246 2.501 12.375 1.00 0.00 H new ATOM 0 HB2 ASN A 1 7.706 2.731 12.339 1.00 0.00 H new ATOM 0 HB3 ASN A 1 7.798 1.646 10.966 1.00 0.00 H new ATOM 0 HD21 ASN A 1 6.190 4.338 8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 1 5.575 2.792 9.377 1.00 0.00 H new ATOM 56 N THR A 2 3.799 1.223 10.842 1.00 0.00 N ATOM 57 CA THR A 2 2.951 0.856 9.773 1.00 0.00 C ATOM 58 C THR A 2 2.872 2.002 8.788 1.00 0.00 C ATOM 59 O THR A 2 2.419 3.102 9.112 1.00 0.00 O ATOM 60 CB THR A 2 1.551 0.471 10.259 1.00 0.00 C ATOM 61 OG1 THR A 2 1.656 -0.678 11.126 1.00 0.00 O ATOM 62 CG2 THR A 2 0.661 0.135 9.077 1.00 0.00 C ATOM 0 H THR A 2 3.310 1.519 11.687 1.00 0.00 H new ATOM 0 HA THR A 2 3.372 -0.024 9.287 1.00 0.00 H new ATOM 0 HB THR A 2 1.113 1.309 10.801 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.998 -1.442 10.617 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.332 -0.137 9.435 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.585 1.002 8.421 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.090 -0.701 8.525 1.00 0.00 H new ATOM 70 N ILE A 3 3.353 1.743 7.630 1.00 0.00 N ATOM 71 CA ILE A 3 3.377 2.680 6.568 1.00 0.00 C ATOM 72 C ILE A 3 2.595 2.095 5.406 1.00 0.00 C ATOM 73 O ILE A 3 3.011 1.109 4.806 1.00 0.00 O ATOM 74 CB ILE A 3 4.850 3.055 6.186 1.00 0.00 C ATOM 75 CG1 ILE A 3 4.927 3.823 4.847 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.776 1.832 6.232 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.326 4.262 4.458 1.00 0.00 C ATOM 0 H ILE A 3 3.756 0.839 7.385 1.00 0.00 H new ATOM 0 HA ILE A 3 2.905 3.615 6.869 1.00 0.00 H new ATOM 0 HB ILE A 3 5.217 3.746 6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.524 3.191 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.287 4.703 4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.788 2.132 5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.778 1.415 7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.420 1.079 5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.289 4.793 3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.727 4.922 5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.968 3.387 4.360 1.00 0.00 H new ATOM 89 N LEU A 4 1.412 2.649 5.171 1.00 0.00 N ATOM 90 CA LEU A 4 0.513 2.180 4.132 1.00 0.00 C ATOM 91 C LEU A 4 1.184 2.217 2.779 1.00 0.00 C ATOM 92 O LEU A 4 1.612 3.273 2.315 1.00 0.00 O ATOM 93 CB LEU A 4 -0.765 3.017 4.108 1.00 0.00 C ATOM 94 CG LEU A 4 -1.571 3.073 5.408 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.867 3.835 5.208 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.830 1.681 5.957 1.00 0.00 C ATOM 0 H LEU A 4 1.050 3.442 5.701 1.00 0.00 H new ATOM 0 HA LEU A 4 0.251 1.146 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.500 4.036 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.412 2.628 3.322 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.977 3.611 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.422 3.861 6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.645 4.853 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.467 3.339 4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.404 1.755 6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.392 1.100 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.880 1.187 6.160 1.00 0.00 H new ATOM 108 N GLY A 5 1.307 1.070 2.180 1.00 0.00 N ATOM 109 CA GLY A 5 1.961 0.981 0.918 1.00 0.00 C ATOM 110 C GLY A 5 3.275 0.261 1.034 1.00 0.00 C ATOM 111 O GLY A 5 3.798 -0.241 0.049 1.00 0.00 O ATOM 0 H GLY A 5 0.961 0.184 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.319 0.458 0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.126 1.982 0.520 1.00 0.00 H new ATOM 115 N ASP A 6 3.830 0.202 2.226 1.00 0.00 N ATOM 116 CA ASP A 6 5.051 -0.491 2.392 1.00 0.00 C ATOM 117 C ASP A 6 4.821 -1.725 3.217 1.00 0.00 C ATOM 118 O ASP A 6 4.837 -1.704 4.443 1.00 0.00 O ATOM 119 CB ASP A 6 6.098 0.359 3.005 1.00 0.00 C ATOM 120 CG ASP A 6 7.409 -0.099 2.572 1.00 0.00 C ATOM 121 OD1 ASP A 6 7.862 -1.181 2.907 1.00 0.00 O ATOM 122 OD2 ASP A 6 7.984 0.524 1.770 1.00 0.00 O ATOM 0 H ASP A 6 3.448 0.625 3.072 1.00 0.00 H new ATOM 0 HA ASP A 6 5.413 -0.774 1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.951 1.400 2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.026 0.316 4.092 1.00 0.00 H new ATOM 127 N LEU A 7 4.588 -2.774 2.523 1.00 0.00 N ATOM 128 CA LEU A 7 4.196 -4.041 3.080 1.00 0.00 C ATOM 129 C LEU A 7 5.366 -4.811 3.648 1.00 0.00 C ATOM 130 O LEU A 7 5.242 -5.506 4.654 1.00 0.00 O ATOM 131 CB LEU A 7 3.487 -4.879 2.022 1.00 0.00 C ATOM 132 CG LEU A 7 2.076 -4.439 1.579 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.052 -3.111 0.858 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.496 -5.472 0.705 1.00 0.00 C ATOM 0 H LEU A 7 4.665 -2.789 1.506 1.00 0.00 H new ATOM 0 HA LEU A 7 3.515 -3.832 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.122 -4.907 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.417 -5.900 2.396 1.00 0.00 H new ATOM 0 HG LEU A 7 1.490 -4.313 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.027 -2.868 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.443 -2.334 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.669 -3.173 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.499 -5.164 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.129 -5.604 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.430 -6.414 1.249 1.00 0.00 H new ATOM 146 N ASN A 8 6.500 -4.691 2.996 1.00 0.00 N ATOM 147 CA ASN A 8 7.696 -5.425 3.400 1.00 0.00 C ATOM 148 C ASN A 8 8.526 -4.633 4.385 1.00 0.00 C ATOM 149 O ASN A 8 9.533 -5.132 4.893 1.00 0.00 O ATOM 150 CB ASN A 8 8.542 -5.887 2.185 1.00 0.00 C ATOM 151 CG ASN A 8 9.152 -4.767 1.356 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.637 -3.648 1.284 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.215 -5.069 0.689 1.00 0.00 N ATOM 0 H ASN A 8 6.628 -4.092 2.180 1.00 0.00 H new ATOM 0 HA ASN A 8 7.355 -6.328 3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.345 -6.529 2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.913 -6.497 1.536 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.651 -4.374 0.083 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.619 -6.002 0.768 1.00 0.00 H new ATOM 160 N ASP A 9 8.080 -3.413 4.656 1.00 0.00 N ATOM 161 CA ASP A 9 8.698 -2.497 5.621 1.00 0.00 C ATOM 162 C ASP A 9 10.147 -2.194 5.283 1.00 0.00 C ATOM 163 O ASP A 9 11.097 -2.681 5.917 1.00 0.00 O ATOM 164 CB ASP A 9 8.493 -2.904 7.085 1.00 0.00 C ATOM 165 CG ASP A 9 9.126 -1.933 8.079 1.00 0.00 C ATOM 166 OD1 ASP A 9 9.578 -2.384 9.167 1.00 0.00 O ATOM 167 OD2 ASP A 9 9.195 -0.715 7.803 1.00 0.00 O ATOM 0 H ASP A 9 7.257 -3.018 4.201 1.00 0.00 H new ATOM 0 HA ASP A 9 8.155 -1.558 5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.424 -2.975 7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.914 -3.897 7.241 1.00 0.00 H new ATOM 172 N ASP A 10 10.310 -1.560 4.167 1.00 0.00 N ATOM 173 CA ASP A 10 11.620 -1.138 3.710 1.00 0.00 C ATOM 174 C ASP A 10 11.685 0.393 3.570 1.00 0.00 C ATOM 175 O ASP A 10 12.747 0.970 3.301 1.00 0.00 O ATOM 176 CB ASP A 10 12.058 -1.889 2.416 1.00 0.00 C ATOM 177 CG ASP A 10 11.192 -1.633 1.204 1.00 0.00 C ATOM 178 OD1 ASP A 10 11.162 -2.456 0.273 1.00 0.00 O ATOM 179 OD2 ASP A 10 10.454 -0.682 1.183 1.00 0.00 O ATOM 0 H ASP A 10 9.546 -1.314 3.537 1.00 0.00 H new ATOM 0 HA ASP A 10 12.349 -1.417 4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.083 -1.604 2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.064 -2.960 2.620 1.00 0.00 H new ATOM 184 N GLY A 11 10.534 1.035 3.754 1.00 0.00 N ATOM 185 CA GLY A 11 10.451 2.493 3.748 1.00 0.00 C ATOM 186 C GLY A 11 10.252 3.123 2.375 1.00 0.00 C ATOM 187 O GLY A 11 10.328 4.354 2.238 1.00 0.00 O ATOM 0 H GLY A 11 9.642 0.566 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.627 2.797 4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.364 2.895 4.186 1.00 0.00 H new ATOM 191 N VAL A 12 9.960 2.320 1.387 1.00 0.00 N ATOM 192 CA VAL A 12 9.800 2.784 0.025 1.00 0.00 C ATOM 193 C VAL A 12 8.835 1.862 -0.760 1.00 0.00 C ATOM 194 O VAL A 12 9.015 0.617 -0.807 1.00 0.00 O ATOM 195 CB VAL A 12 11.193 2.933 -0.688 1.00 0.00 C ATOM 196 CG1 VAL A 12 12.026 1.665 -0.576 1.00 0.00 C ATOM 197 CG2 VAL A 12 11.048 3.360 -2.144 1.00 0.00 C ATOM 0 H VAL A 12 9.824 1.315 1.501 1.00 0.00 H new ATOM 0 HA VAL A 12 9.349 3.776 0.049 1.00 0.00 H new ATOM 0 HB VAL A 12 11.724 3.727 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.980 1.811 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.203 1.438 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.492 0.836 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.035 3.450 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.467 2.614 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.537 4.322 -2.192 1.00 0.00 H new ATOM 207 N VAL A 13 7.800 2.447 -1.330 1.00 0.00 N ATOM 208 CA VAL A 13 6.822 1.708 -2.082 1.00 0.00 C ATOM 209 C VAL A 13 7.434 1.220 -3.417 1.00 0.00 C ATOM 210 O VAL A 13 7.617 1.986 -4.361 1.00 0.00 O ATOM 211 CB VAL A 13 5.504 2.543 -2.308 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.783 2.774 -0.990 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.775 3.897 -2.975 1.00 0.00 C ATOM 0 H VAL A 13 7.619 3.450 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 13 6.534 0.832 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 13 4.877 1.955 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.876 3.352 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.520 1.814 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.435 3.322 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.835 4.432 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.442 4.486 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.242 3.737 -3.947 1.00 0.00 H new ATOM 223 N ASN A 14 7.867 -0.015 -3.434 1.00 0.00 N ATOM 224 CA ASN A 14 8.482 -0.577 -4.617 1.00 0.00 C ATOM 225 C ASN A 14 7.806 -1.876 -5.019 1.00 0.00 C ATOM 226 O ASN A 14 6.803 -2.272 -4.428 1.00 0.00 O ATOM 227 CB ASN A 14 10.010 -0.743 -4.464 1.00 0.00 C ATOM 228 CG ASN A 14 10.427 -1.795 -3.480 1.00 0.00 C ATOM 229 OD1 ASN A 14 10.611 -2.934 -3.832 1.00 0.00 O ATOM 230 ND2 ASN A 14 10.557 -1.415 -2.262 1.00 0.00 N ATOM 0 H ASN A 14 7.806 -0.655 -2.642 1.00 0.00 H new ATOM 0 HA ASN A 14 8.334 0.137 -5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.435 -0.986 -5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.437 0.212 -4.158 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.827 -2.087 -1.544 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.391 -0.440 -2.011 1.00 0.00 H new ATOM 237 N GLY A 15 8.403 -2.557 -5.969 1.00 0.00 N ATOM 238 CA GLY A 15 7.856 -3.784 -6.532 1.00 0.00 C ATOM 239 C GLY A 15 7.784 -4.940 -5.561 1.00 0.00 C ATOM 240 O GLY A 15 6.959 -5.834 -5.732 1.00 0.00 O ATOM 0 H GLY A 15 9.293 -2.277 -6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.854 -3.580 -6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.465 -4.080 -7.386 1.00 0.00 H new ATOM 244 N ARG A 16 8.623 -4.923 -4.527 1.00 0.00 N ATOM 245 CA ARG A 16 8.623 -5.982 -3.510 1.00 0.00 C ATOM 246 C ARG A 16 7.320 -5.961 -2.737 1.00 0.00 C ATOM 247 O ARG A 16 6.834 -6.990 -2.297 1.00 0.00 O ATOM 248 CB ARG A 16 9.781 -5.810 -2.529 1.00 0.00 C ATOM 249 CG ARG A 16 11.159 -5.840 -3.157 1.00 0.00 C ATOM 250 CD ARG A 16 11.467 -7.168 -3.789 1.00 0.00 C ATOM 251 NE ARG A 16 12.743 -7.138 -4.494 1.00 0.00 N ATOM 252 CZ ARG A 16 13.128 -8.004 -5.429 1.00 0.00 C ATOM 253 NH1 ARG A 16 12.364 -9.058 -5.729 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.289 -7.827 -6.049 1.00 0.00 N ATOM 0 H ARG A 16 9.313 -4.189 -4.368 1.00 0.00 H new ATOM 0 HA ARG A 16 8.737 -6.935 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.657 -4.862 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.722 -6.598 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.230 -5.056 -3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.908 -5.619 -2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.492 -7.941 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.671 -7.435 -4.485 1.00 0.00 H new ATOM 0 HE ARG A 16 13.394 -6.392 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.480 -9.203 -5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.664 -9.718 -6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.880 -7.031 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.590 -8.487 -6.766 1.00 0.00 H new ATOM 268 N ASP A 17 6.738 -4.779 -2.625 1.00 0.00 N ATOM 269 CA ASP A 17 5.494 -4.578 -1.906 1.00 0.00 C ATOM 270 C ASP A 17 4.370 -5.228 -2.658 1.00 0.00 C ATOM 271 O ASP A 17 3.524 -5.885 -2.065 1.00 0.00 O ATOM 272 CB ASP A 17 5.224 -3.094 -1.717 1.00 0.00 C ATOM 273 CG ASP A 17 6.301 -2.424 -0.896 1.00 0.00 C ATOM 274 OD1 ASP A 17 7.275 -1.869 -1.450 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.273 -2.467 0.329 1.00 0.00 O ATOM 0 H ASP A 17 7.119 -3.926 -3.034 1.00 0.00 H new ATOM 0 HA ASP A 17 5.572 -5.035 -0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.157 -2.610 -2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.259 -2.960 -1.228 1.00 0.00 H new ATOM 280 N ILE A 18 4.398 -5.057 -3.984 1.00 0.00 N ATOM 281 CA ILE A 18 3.463 -5.692 -4.933 1.00 0.00 C ATOM 282 C ILE A 18 3.408 -7.205 -4.703 1.00 0.00 C ATOM 283 O ILE A 18 2.331 -7.815 -4.699 1.00 0.00 O ATOM 284 CB ILE A 18 3.885 -5.400 -6.439 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.530 -3.979 -6.888 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.286 -6.404 -7.430 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.143 -2.871 -6.119 1.00 0.00 C ATOM 0 H ILE A 18 5.086 -4.460 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 18 2.476 -5.264 -4.758 1.00 0.00 H new ATOM 0 HB ILE A 18 4.970 -5.509 -6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.818 -3.869 -7.933 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.447 -3.867 -6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.609 -6.154 -8.441 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.625 -7.409 -7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.198 -6.364 -7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.816 -1.917 -6.532 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.836 -2.939 -5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.229 -2.941 -6.183 1.00 0.00 H new ATOM 299 N VAL A 19 4.570 -7.776 -4.489 1.00 0.00 N ATOM 300 CA VAL A 19 4.720 -9.202 -4.254 1.00 0.00 C ATOM 301 C VAL A 19 3.995 -9.595 -2.979 1.00 0.00 C ATOM 302 O VAL A 19 3.128 -10.452 -3.000 1.00 0.00 O ATOM 303 CB VAL A 19 6.210 -9.596 -4.122 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.374 -11.096 -4.074 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.036 -9.003 -5.238 1.00 0.00 C ATOM 0 H VAL A 19 5.451 -7.262 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 19 4.292 -9.726 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 19 6.575 -9.185 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.431 -11.344 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.831 -11.494 -3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.978 -11.535 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.078 -9.299 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.666 -9.366 -6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.961 -7.916 -5.208 1.00 0.00 H new ATOM 315 N MET A 20 4.314 -8.891 -1.897 1.00 0.00 N ATOM 316 CA MET A 20 3.768 -9.159 -0.551 1.00 0.00 C ATOM 317 C MET A 20 2.247 -9.022 -0.547 1.00 0.00 C ATOM 318 O MET A 20 1.536 -9.782 0.123 1.00 0.00 O ATOM 319 CB MET A 20 4.346 -8.161 0.439 1.00 0.00 C ATOM 320 CG MET A 20 5.861 -8.076 0.443 1.00 0.00 C ATOM 321 SD MET A 20 6.679 -9.481 1.214 1.00 0.00 S ATOM 322 CE MET A 20 6.324 -9.160 2.945 1.00 0.00 C ATOM 0 H MET A 20 4.966 -8.107 -1.920 1.00 0.00 H new ATOM 0 HA MET A 20 4.038 -10.177 -0.269 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.941 -7.174 0.217 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.008 -8.426 1.441 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.211 -7.986 -0.585 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.161 -7.166 0.962 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.083 -9.635 3.566 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.329 -8.085 3.124 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.344 -9.565 3.197 1.00 0.00 H new ATOM 332 N MET A 21 1.780 -8.031 -1.298 1.00 0.00 N ATOM 333 CA MET A 21 0.364 -7.733 -1.506 1.00 0.00 C ATOM 334 C MET A 21 -0.321 -8.967 -2.035 1.00 0.00 C ATOM 335 O MET A 21 -1.232 -9.505 -1.413 1.00 0.00 O ATOM 336 CB MET A 21 0.274 -6.625 -2.560 1.00 0.00 C ATOM 337 CG MET A 21 -1.105 -6.025 -2.865 1.00 0.00 C ATOM 338 SD MET A 21 -1.636 -4.671 -1.781 1.00 0.00 S ATOM 339 CE MET A 21 -2.104 -5.481 -0.272 1.00 0.00 C ATOM 0 H MET A 21 2.397 -7.390 -1.797 1.00 0.00 H new ATOM 0 HA MET A 21 -0.109 -7.422 -0.575 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.929 -5.812 -2.245 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.680 -7.018 -3.492 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.103 -5.662 -3.893 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.847 -6.822 -2.809 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.176 -5.366 -0.115 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.859 -6.541 -0.337 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.565 -5.034 0.563 1.00 0.00 H new ATOM 349 N ARG A 22 0.208 -9.447 -3.145 1.00 0.00 N ATOM 350 CA ARG A 22 -0.304 -10.594 -3.857 1.00 0.00 C ATOM 351 C ARG A 22 -0.198 -11.878 -3.049 1.00 0.00 C ATOM 352 O ARG A 22 -0.993 -12.779 -3.238 1.00 0.00 O ATOM 353 CB ARG A 22 0.419 -10.739 -5.182 1.00 0.00 C ATOM 354 CG ARG A 22 0.050 -9.696 -6.218 1.00 0.00 C ATOM 355 CD ARG A 22 0.973 -9.787 -7.417 1.00 0.00 C ATOM 356 NE ARG A 22 0.533 -8.943 -8.537 1.00 0.00 N ATOM 357 CZ ARG A 22 1.100 -8.933 -9.755 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.174 -9.672 -9.998 1.00 0.00 N ATOM 359 NH2 ARG A 22 0.586 -8.186 -10.718 1.00 0.00 N ATOM 0 H ARG A 22 1.030 -9.034 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.366 -10.423 -4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.493 -10.690 -5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.209 -11.728 -5.590 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.983 -9.840 -6.535 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.113 -8.701 -5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.979 -9.492 -7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.030 -10.824 -7.749 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.259 -8.321 -8.378 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.573 -10.251 -9.259 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.601 -9.662 -10.924 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.241 -7.617 -10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.017 -8.179 -11.643 1.00 0.00 H new ATOM 373 N GLN A 23 0.795 -11.966 -2.171 1.00 0.00 N ATOM 374 CA GLN A 23 0.961 -13.129 -1.300 1.00 0.00 C ATOM 375 C GLN A 23 -0.234 -13.258 -0.383 1.00 0.00 C ATOM 376 O GLN A 23 -0.943 -14.265 -0.402 1.00 0.00 O ATOM 377 CB GLN A 23 2.203 -12.988 -0.432 1.00 0.00 C ATOM 378 CG GLN A 23 3.491 -12.852 -1.197 1.00 0.00 C ATOM 379 CD GLN A 23 3.863 -14.132 -1.899 1.00 0.00 C ATOM 380 OE1 GLN A 23 3.613 -15.212 -1.402 1.00 0.00 O ATOM 381 NE2 GLN A 23 4.389 -14.037 -3.060 1.00 0.00 N ATOM 0 H GLN A 23 1.502 -11.242 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 23 1.057 -14.008 -1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.084 -12.116 0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.274 -13.858 0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.396 -12.050 -1.929 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.291 -12.566 -0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.589 -13.118 -3.456 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.608 -14.880 -3.591 1.00 0.00 H new ATOM 390 N TYR A 24 -0.481 -12.210 0.384 1.00 0.00 N ATOM 391 CA TYR A 24 -1.543 -12.211 1.359 1.00 0.00 C ATOM 392 C TYR A 24 -2.898 -12.320 0.676 1.00 0.00 C ATOM 393 O TYR A 24 -3.763 -13.072 1.115 1.00 0.00 O ATOM 394 CB TYR A 24 -1.461 -10.958 2.195 1.00 0.00 C ATOM 395 CG TYR A 24 -2.396 -10.956 3.378 1.00 0.00 C ATOM 396 CD1 TYR A 24 -3.669 -10.434 3.269 1.00 0.00 C ATOM 397 CD2 TYR A 24 -2.003 -11.484 4.598 1.00 0.00 C ATOM 398 CE1 TYR A 24 -4.528 -10.434 4.324 1.00 0.00 C ATOM 399 CE2 TYR A 24 -2.862 -11.488 5.673 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.126 -10.961 5.532 1.00 0.00 C ATOM 401 OH TYR A 24 -4.989 -10.963 6.599 1.00 0.00 O ATOM 0 H TYR A 24 0.050 -11.340 0.344 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.429 -13.078 2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.438 -10.836 2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.684 -10.097 1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.990 -10.017 2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.011 -11.897 4.706 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.521 -10.023 4.215 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.547 -11.901 6.620 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.550 -11.371 7.374 1.00 0.00 H new ATOM 411 N LEU A 25 -3.049 -11.578 -0.398 1.00 0.00 N ATOM 412 CA LEU A 25 -4.274 -11.599 -1.231 1.00 0.00 C ATOM 413 C LEU A 25 -4.585 -13.000 -1.763 1.00 0.00 C ATOM 414 O LEU A 25 -5.752 -13.405 -1.815 1.00 0.00 O ATOM 415 CB LEU A 25 -4.189 -10.622 -2.409 1.00 0.00 C ATOM 416 CG LEU A 25 -4.200 -9.129 -2.087 1.00 0.00 C ATOM 417 CD1 LEU A 25 -4.036 -8.328 -3.357 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.487 -8.722 -1.390 1.00 0.00 C ATOM 0 H LEU A 25 -2.334 -10.934 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.083 -11.285 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.276 -10.840 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.024 -10.828 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.368 -8.925 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.045 -7.264 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.089 -8.586 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.856 -8.555 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.462 -7.654 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.336 -8.942 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.587 -9.277 -0.458 1.00 0.00 H new ATOM 430 N ALA A 26 -3.545 -13.739 -2.123 1.00 0.00 N ATOM 431 CA ALA A 26 -3.691 -15.112 -2.625 1.00 0.00 C ATOM 432 C ALA A 26 -4.043 -16.083 -1.502 1.00 0.00 C ATOM 433 O ALA A 26 -4.422 -17.240 -1.755 1.00 0.00 O ATOM 434 CB ALA A 26 -2.416 -15.574 -3.309 1.00 0.00 C ATOM 0 H ALA A 26 -2.579 -13.413 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.507 -15.105 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.547 -16.593 -3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.194 -14.915 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.591 -15.546 -2.597 1.00 0.00 H new ATOM 440 N GLY A 27 -3.920 -15.622 -0.276 1.00 0.00 N ATOM 441 CA GLY A 27 -4.217 -16.424 0.862 1.00 0.00 C ATOM 442 C GLY A 27 -2.987 -17.059 1.441 1.00 0.00 C ATOM 443 O GLY A 27 -3.071 -18.081 2.129 1.00 0.00 O ATOM 0 H GLY A 27 -3.609 -14.676 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.699 -15.810 1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.928 -17.201 0.582 1.00 0.00 H new ATOM 447 N LYS A 28 -1.838 -16.474 1.168 1.00 0.00 N ATOM 448 CA LYS A 28 -0.597 -16.994 1.683 1.00 0.00 C ATOM 449 C LYS A 28 -0.215 -16.247 2.935 1.00 0.00 C ATOM 450 O LYS A 28 -0.580 -15.075 3.115 1.00 0.00 O ATOM 451 CB LYS A 28 0.528 -16.877 0.652 1.00 0.00 C ATOM 452 CG LYS A 28 0.152 -17.390 -0.727 1.00 0.00 C ATOM 453 CD LYS A 28 1.296 -17.242 -1.697 1.00 0.00 C ATOM 454 CE LYS A 28 2.436 -18.195 -1.375 1.00 0.00 C ATOM 455 NZ LYS A 28 3.591 -17.973 -2.247 1.00 0.00 N ATOM 0 H LYS A 28 -1.743 -15.638 0.592 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.741 -18.050 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.827 -15.832 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.396 -17.430 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.138 -18.439 -0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.715 -16.842 -1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.940 -17.430 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.662 -16.216 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.735 -18.066 -0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.092 -19.224 -1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.377 -18.582 -1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.334 -18.203 -3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.883 -16.976 -2.190 1.00 0.00 H new ATOM 469 N THR A 29 0.484 -16.914 3.795 1.00 0.00 N ATOM 470 CA THR A 29 0.956 -16.332 5.015 1.00 0.00 C ATOM 471 C THR A 29 2.337 -15.759 4.740 1.00 0.00 C ATOM 472 O THR A 29 3.280 -16.500 4.439 1.00 0.00 O ATOM 473 CB THR A 29 1.031 -17.398 6.119 1.00 0.00 C ATOM 474 OG1 THR A 29 -0.222 -18.101 6.161 1.00 0.00 O ATOM 475 CG2 THR A 29 1.278 -16.754 7.474 1.00 0.00 C ATOM 0 H THR A 29 0.748 -17.891 3.671 1.00 0.00 H new ATOM 0 HA THR A 29 0.277 -15.550 5.355 1.00 0.00 H new ATOM 0 HB THR A 29 1.853 -18.079 5.900 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.189 -18.787 6.860 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.327 -17.527 8.241 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.220 -16.206 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.464 -16.067 7.704 1.00 0.00 H new ATOM 483 N VAL A 30 2.446 -14.466 4.793 1.00 0.00 N ATOM 484 CA VAL A 30 3.660 -13.813 4.447 1.00 0.00 C ATOM 485 C VAL A 30 4.415 -13.513 5.727 1.00 0.00 C ATOM 486 O VAL A 30 3.920 -12.782 6.585 1.00 0.00 O ATOM 487 CB VAL A 30 3.381 -12.494 3.692 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.482 -12.203 2.699 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.019 -12.491 3.007 1.00 0.00 C ATOM 0 H VAL A 30 1.693 -13.839 5.078 1.00 0.00 H new ATOM 0 HA VAL A 30 4.246 -14.459 3.793 1.00 0.00 H new ATOM 0 HB VAL A 30 3.362 -11.699 4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.265 -11.270 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.432 -12.113 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.544 -13.016 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.873 -11.542 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.973 -13.307 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.236 -12.622 3.754 1.00 0.00 H new ATOM 499 N SER A 31 5.545 -14.137 5.893 1.00 0.00 N ATOM 500 CA SER A 31 6.364 -13.937 7.059 1.00 0.00 C ATOM 501 C SER A 31 7.127 -12.606 6.992 1.00 0.00 C ATOM 502 O SER A 31 7.893 -12.363 6.044 1.00 0.00 O ATOM 503 CB SER A 31 7.288 -15.141 7.245 1.00 0.00 C ATOM 504 OG SER A 31 7.904 -15.505 6.013 1.00 0.00 O ATOM 0 H SER A 31 5.928 -14.803 5.222 1.00 0.00 H new ATOM 0 HA SER A 31 5.725 -13.865 7.939 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.054 -14.906 7.984 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.718 -15.985 7.635 1.00 0.00 H new ATOM 0 HG SER A 31 8.492 -16.276 6.156 1.00 0.00 H new ATOM 510 N GLY A 32 6.886 -11.748 7.961 1.00 0.00 N ATOM 511 CA GLY A 32 7.566 -10.480 8.027 1.00 0.00 C ATOM 512 C GLY A 32 6.836 -9.393 7.275 1.00 0.00 C ATOM 513 O GLY A 32 7.461 -8.457 6.763 1.00 0.00 O ATOM 0 H GLY A 32 6.220 -11.911 8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.676 -10.184 9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.571 -10.588 7.618 1.00 0.00 H new ATOM 517 N ILE A 33 5.525 -9.503 7.192 1.00 0.00 N ATOM 518 CA ILE A 33 4.748 -8.510 6.516 1.00 0.00 C ATOM 519 C ILE A 33 4.089 -7.614 7.554 1.00 0.00 C ATOM 520 O ILE A 33 3.737 -8.075 8.658 1.00 0.00 O ATOM 521 CB ILE A 33 3.666 -9.162 5.569 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.122 -8.131 4.583 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.497 -9.794 6.363 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.238 -8.741 3.504 1.00 0.00 C ATOM 0 H ILE A 33 4.985 -10.273 7.587 1.00 0.00 H new ATOM 0 HA ILE A 33 5.406 -7.917 5.881 1.00 0.00 H new ATOM 0 HB ILE A 33 4.166 -9.960 5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.551 -7.381 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.957 -7.614 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.779 -10.229 5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.883 -10.572 7.021 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.005 -9.026 6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.884 -7.955 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.812 -9.471 2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.384 -9.234 3.969 1.00 0.00 H new ATOM 536 N ASP A 34 3.964 -6.350 7.257 1.00 0.00 N ATOM 537 CA ASP A 34 3.238 -5.486 8.161 1.00 0.00 C ATOM 538 C ASP A 34 1.812 -5.540 7.698 1.00 0.00 C ATOM 539 O ASP A 34 1.461 -4.861 6.754 1.00 0.00 O ATOM 540 CB ASP A 34 3.731 -4.031 8.134 1.00 0.00 C ATOM 541 CG ASP A 34 3.321 -3.293 9.390 1.00 0.00 C ATOM 542 OD1 ASP A 34 2.214 -2.710 9.443 1.00 0.00 O ATOM 543 OD2 ASP A 34 4.076 -3.333 10.382 1.00 0.00 O ATOM 0 H ASP A 34 4.341 -5.900 6.423 1.00 0.00 H new ATOM 0 HA ASP A 34 3.376 -5.824 9.188 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.816 -4.013 8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.324 -3.522 7.260 1.00 0.00 H new ATOM 548 N LYS A 35 1.004 -6.397 8.327 1.00 0.00 N ATOM 549 CA LYS A 35 -0.359 -6.705 7.852 1.00 0.00 C ATOM 550 C LYS A 35 -1.252 -5.452 7.693 1.00 0.00 C ATOM 551 O LYS A 35 -2.114 -5.394 6.809 1.00 0.00 O ATOM 552 CB LYS A 35 -1.058 -7.721 8.760 1.00 0.00 C ATOM 553 CG LYS A 35 -2.307 -8.315 8.109 1.00 0.00 C ATOM 554 CD LYS A 35 -3.210 -9.044 9.098 1.00 0.00 C ATOM 555 CE LYS A 35 -2.543 -10.265 9.693 1.00 0.00 C ATOM 556 NZ LYS A 35 -3.432 -10.955 10.641 1.00 0.00 N ATOM 0 H LYS A 35 1.268 -6.897 9.176 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.224 -7.139 6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.363 -8.523 9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.334 -7.238 9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.874 -7.517 7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.005 -9.008 7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.494 -8.361 9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.129 -9.344 8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.257 -10.950 8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.626 -9.969 10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.945 -11.787 11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.684 -10.307 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.296 -11.259 10.148 1.00 0.00 H new ATOM 570 N ASN A 36 -1.025 -4.455 8.519 1.00 0.00 N ATOM 571 CA ASN A 36 -1.802 -3.226 8.482 1.00 0.00 C ATOM 572 C ASN A 36 -1.363 -2.318 7.372 1.00 0.00 C ATOM 573 O ASN A 36 -2.096 -1.425 6.984 1.00 0.00 O ATOM 574 CB ASN A 36 -1.725 -2.474 9.803 1.00 0.00 C ATOM 575 CG ASN A 36 -2.538 -3.091 10.901 1.00 0.00 C ATOM 576 OD1 ASN A 36 -3.701 -2.753 11.088 1.00 0.00 O ATOM 577 ND2 ASN A 36 -1.951 -3.983 11.630 1.00 0.00 N ATOM 0 H ASN A 36 -0.299 -4.468 9.236 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.834 -3.525 8.302 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.683 -2.422 10.120 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.062 -1.449 9.647 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.458 -4.432 12.393 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.981 -4.237 11.442 1.00 0.00 H new ATOM 584 N ALA A 37 -0.190 -2.569 6.818 1.00 0.00 N ATOM 585 CA ALA A 37 0.344 -1.700 5.776 1.00 0.00 C ATOM 586 C ALA A 37 -0.229 -2.063 4.421 1.00 0.00 C ATOM 587 O ALA A 37 0.015 -1.377 3.423 1.00 0.00 O ATOM 588 CB ALA A 37 1.855 -1.747 5.751 1.00 0.00 C ATOM 0 H ALA A 37 0.408 -3.357 7.066 1.00 0.00 H new ATOM 0 HA ALA A 37 0.043 -0.678 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.227 -1.090 4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.245 -1.417 6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.184 -2.768 5.556 1.00 0.00 H new ATOM 594 N LEU A 38 -1.003 -3.138 4.410 1.00 0.00 N ATOM 595 CA LEU A 38 -1.646 -3.640 3.217 1.00 0.00 C ATOM 596 C LEU A 38 -2.893 -2.876 2.909 1.00 0.00 C ATOM 597 O LEU A 38 -3.288 -2.809 1.773 1.00 0.00 O ATOM 598 CB LEU A 38 -2.004 -5.123 3.326 1.00 0.00 C ATOM 599 CG LEU A 38 -0.883 -6.148 3.192 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.107 -6.049 4.279 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.444 -7.530 3.128 1.00 0.00 C ATOM 0 H LEU A 38 -1.201 -3.690 5.244 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.921 -3.511 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.484 -5.279 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.749 -5.343 2.561 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.361 -5.926 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.882 -6.801 4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.558 -5.057 4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.386 -6.216 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.630 -8.249 3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.006 -7.737 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.106 -7.614 2.266 1.00 0.00 H new ATOM 613 N ASP A 39 -3.527 -2.310 3.919 1.00 0.00 N ATOM 614 CA ASP A 39 -4.736 -1.547 3.694 1.00 0.00 C ATOM 615 C ASP A 39 -4.378 -0.120 3.330 1.00 0.00 C ATOM 616 O ASP A 39 -4.391 0.795 4.143 1.00 0.00 O ATOM 617 CB ASP A 39 -5.702 -1.650 4.873 1.00 0.00 C ATOM 618 CG ASP A 39 -6.966 -0.831 4.687 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.660 -0.975 3.644 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.318 -0.047 5.593 1.00 0.00 O ATOM 0 H ASP A 39 -3.228 -2.364 4.893 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.276 -1.974 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.973 -2.695 5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.194 -1.321 5.780 1.00 0.00 H new ATOM 625 N ILE A 40 -3.979 0.011 2.103 1.00 0.00 N ATOM 626 CA ILE A 40 -3.453 1.218 1.534 1.00 0.00 C ATOM 627 C ILE A 40 -4.537 2.245 1.274 1.00 0.00 C ATOM 628 O ILE A 40 -4.330 3.430 1.483 1.00 0.00 O ATOM 629 CB ILE A 40 -2.677 0.879 0.241 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.652 -0.192 0.585 1.00 0.00 C ATOM 631 CG2 ILE A 40 -1.973 2.125 -0.305 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.018 -0.865 -0.593 1.00 0.00 C ATOM 0 H ILE A 40 -4.012 -0.759 1.435 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.770 1.669 2.254 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.363 0.521 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.867 0.260 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.135 -0.951 1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.432 1.868 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.714 2.893 -0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.272 2.502 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.303 -1.611 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.788 -1.352 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.501 -0.123 -1.201 1.00 0.00 H new ATOM 644 N ASN A 41 -5.706 1.797 0.865 1.00 0.00 N ATOM 645 CA ASN A 41 -6.781 2.741 0.560 1.00 0.00 C ATOM 646 C ASN A 41 -7.487 3.186 1.846 1.00 0.00 C ATOM 647 O ASN A 41 -8.256 4.151 1.843 1.00 0.00 O ATOM 648 CB ASN A 41 -7.798 2.157 -0.448 1.00 0.00 C ATOM 649 CG ASN A 41 -8.748 1.134 0.138 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.436 0.436 1.090 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.892 1.007 -0.443 1.00 0.00 N ATOM 0 H ASN A 41 -5.941 0.813 0.736 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.325 3.612 0.090 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.381 2.975 -0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.251 1.697 -1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.559 0.312 -0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.130 1.602 -1.237 1.00 0.00 H new ATOM 658 N GLY A 42 -7.189 2.490 2.941 1.00 0.00 N ATOM 659 CA GLY A 42 -7.787 2.798 4.225 1.00 0.00 C ATOM 660 C GLY A 42 -9.271 2.442 4.329 1.00 0.00 C ATOM 661 O GLY A 42 -10.106 3.308 4.605 1.00 0.00 O ATOM 0 H GLY A 42 -6.534 1.708 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.242 2.265 5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.666 3.863 4.423 1.00 0.00 H new ATOM 665 N ASP A 43 -9.607 1.185 4.122 1.00 0.00 N ATOM 666 CA ASP A 43 -11.004 0.733 4.270 1.00 0.00 C ATOM 667 C ASP A 43 -11.134 -0.248 5.430 1.00 0.00 C ATOM 668 O ASP A 43 -12.234 -0.540 5.891 1.00 0.00 O ATOM 669 CB ASP A 43 -11.632 0.136 2.962 1.00 0.00 C ATOM 670 CG ASP A 43 -10.899 -1.062 2.385 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.446 -1.918 3.101 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.694 -1.150 1.178 1.00 0.00 O ATOM 0 H ASP A 43 -8.950 0.453 3.853 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.581 1.632 4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.662 -0.154 3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.669 0.919 2.205 1.00 0.00 H new ATOM 677 N GLY A 44 -10.006 -0.747 5.893 1.00 0.00 N ATOM 678 CA GLY A 44 -9.969 -1.663 7.005 1.00 0.00 C ATOM 679 C GLY A 44 -9.749 -3.107 6.590 1.00 0.00 C ATOM 680 O GLY A 44 -9.445 -3.954 7.429 1.00 0.00 O ATOM 0 H GLY A 44 -9.089 -0.526 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.173 -1.363 7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.906 -1.590 7.557 1.00 0.00 H new ATOM 684 N ALA A 45 -9.846 -3.386 5.317 1.00 0.00 N ATOM 685 CA ALA A 45 -9.678 -4.732 4.812 1.00 0.00 C ATOM 686 C ALA A 45 -8.613 -4.762 3.726 1.00 0.00 C ATOM 687 O ALA A 45 -8.361 -3.765 3.062 1.00 0.00 O ATOM 688 CB ALA A 45 -10.998 -5.258 4.274 1.00 0.00 C ATOM 0 H ALA A 45 -10.043 -2.690 4.598 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.354 -5.374 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.859 -6.271 3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.739 -5.267 5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.344 -4.614 3.465 1.00 0.00 H new ATOM 694 N VAL A 46 -8.005 -5.889 3.545 1.00 0.00 N ATOM 695 CA VAL A 46 -6.985 -6.065 2.579 1.00 0.00 C ATOM 696 C VAL A 46 -7.621 -6.620 1.318 1.00 0.00 C ATOM 697 O VAL A 46 -8.022 -7.794 1.265 1.00 0.00 O ATOM 698 CB VAL A 46 -5.913 -7.032 3.094 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.836 -7.158 2.081 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.339 -6.562 4.430 1.00 0.00 C ATOM 0 H VAL A 46 -8.214 -6.731 4.082 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.503 -5.109 2.374 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.372 -8.007 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.072 -7.845 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.255 -7.541 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.389 -6.180 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.581 -7.268 4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.888 -5.578 4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.138 -6.504 5.169 1.00 0.00 H new ATOM 710 N ASN A 47 -7.751 -5.775 0.345 1.00 0.00 N ATOM 711 CA ASN A 47 -8.448 -6.088 -0.882 1.00 0.00 C ATOM 712 C ASN A 47 -7.693 -5.613 -2.109 1.00 0.00 C ATOM 713 O ASN A 47 -6.632 -5.001 -1.995 1.00 0.00 O ATOM 714 CB ASN A 47 -9.902 -5.549 -0.826 1.00 0.00 C ATOM 715 CG ASN A 47 -10.040 -4.136 -0.257 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.208 -3.245 -0.466 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.051 -3.942 0.525 1.00 0.00 N ATOM 0 H ASN A 47 -7.372 -4.828 0.372 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.501 -7.173 -0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.319 -5.562 -1.833 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.504 -6.229 -0.223 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.175 -3.040 0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.725 -4.691 0.683 1.00 0.00 H new ATOM 724 N GLY A 48 -8.249 -5.889 -3.290 1.00 0.00 N ATOM 725 CA GLY A 48 -7.612 -5.528 -4.554 1.00 0.00 C ATOM 726 C GLY A 48 -7.574 -4.035 -4.783 1.00 0.00 C ATOM 727 O GLY A 48 -6.827 -3.548 -5.621 1.00 0.00 O ATOM 0 H GLY A 48 -9.145 -6.365 -3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.595 -5.920 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.148 -6.004 -5.375 1.00 0.00 H new ATOM 731 N ARG A 49 -8.373 -3.311 -4.025 1.00 0.00 N ATOM 732 CA ARG A 49 -8.393 -1.853 -4.079 1.00 0.00 C ATOM 733 C ARG A 49 -7.068 -1.328 -3.591 1.00 0.00 C ATOM 734 O ARG A 49 -6.518 -0.392 -4.156 1.00 0.00 O ATOM 735 CB ARG A 49 -9.494 -1.309 -3.184 1.00 0.00 C ATOM 736 CG ARG A 49 -10.858 -1.848 -3.504 1.00 0.00 C ATOM 737 CD ARG A 49 -11.327 -1.388 -4.868 1.00 0.00 C ATOM 738 NE ARG A 49 -12.513 -2.112 -5.316 1.00 0.00 N ATOM 739 CZ ARG A 49 -13.219 -1.809 -6.401 1.00 0.00 C ATOM 740 NH1 ARG A 49 -12.985 -0.669 -7.056 1.00 0.00 N ATOM 741 NH2 ARG A 49 -14.175 -2.635 -6.818 1.00 0.00 N ATOM 0 H ARG A 49 -9.028 -3.711 -3.353 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.575 -1.537 -5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.255 -1.544 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.514 -0.222 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.837 -2.937 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.568 -1.521 -2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.546 -0.321 -4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.524 -1.526 -5.592 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.822 -2.907 -4.757 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.264 -0.029 -6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.528 -0.438 -7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.364 -3.497 -6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.719 -2.407 -7.650 1.00 0.00 H new ATOM 755 N ASP A 50 -6.557 -1.975 -2.547 1.00 0.00 N ATOM 756 CA ASP A 50 -5.273 -1.632 -1.946 1.00 0.00 C ATOM 757 C ASP A 50 -4.179 -1.951 -2.901 1.00 0.00 C ATOM 758 O ASP A 50 -3.248 -1.195 -3.048 1.00 0.00 O ATOM 759 CB ASP A 50 -5.031 -2.423 -0.685 1.00 0.00 C ATOM 760 CG ASP A 50 -6.081 -2.246 0.336 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.301 -1.140 0.808 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.763 -3.202 0.700 1.00 0.00 O ATOM 0 H ASP A 50 -7.026 -2.758 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.290 -0.568 -1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.957 -3.481 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.071 -2.129 -0.261 1.00 0.00 H new ATOM 767 N LEU A 51 -4.327 -3.084 -3.566 1.00 0.00 N ATOM 768 CA LEU A 51 -3.408 -3.530 -4.603 1.00 0.00 C ATOM 769 C LEU A 51 -3.313 -2.487 -5.697 1.00 0.00 C ATOM 770 O LEU A 51 -2.230 -2.101 -6.092 1.00 0.00 O ATOM 771 CB LEU A 51 -3.886 -4.883 -5.160 1.00 0.00 C ATOM 772 CG LEU A 51 -3.229 -5.426 -6.447 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.724 -5.630 -6.297 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.889 -6.730 -6.823 1.00 0.00 C ATOM 0 H LEU A 51 -5.099 -3.730 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.411 -3.662 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.749 -5.630 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.958 -4.806 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.371 -4.683 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.314 -6.013 -7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.250 -4.679 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.532 -6.344 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.431 -7.121 -7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.761 -7.449 -6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.952 -6.563 -6.996 1.00 0.00 H new ATOM 786 N MET A 52 -4.455 -1.998 -6.136 1.00 0.00 N ATOM 787 CA MET A 52 -4.508 -0.974 -7.166 1.00 0.00 C ATOM 788 C MET A 52 -3.932 0.358 -6.686 1.00 0.00 C ATOM 789 O MET A 52 -3.337 1.099 -7.472 1.00 0.00 O ATOM 790 CB MET A 52 -5.913 -0.830 -7.732 1.00 0.00 C ATOM 791 CG MET A 52 -6.350 -2.062 -8.492 1.00 0.00 C ATOM 792 SD MET A 52 -7.935 -1.900 -9.316 1.00 0.00 S ATOM 793 CE MET A 52 -7.899 -3.397 -10.301 1.00 0.00 C ATOM 0 H MET A 52 -5.369 -2.295 -5.793 1.00 0.00 H new ATOM 0 HA MET A 52 -3.867 -1.303 -7.984 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.613 -0.639 -6.919 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.950 0.035 -8.394 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.591 -2.304 -9.236 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.398 -2.903 -7.800 1.00 0.00 H new ATOM 0 HE1 MET A 52 -8.815 -3.468 -10.888 1.00 0.00 H new ATOM 0 HE2 MET A 52 -7.040 -3.371 -10.971 1.00 0.00 H new ATOM 0 HE3 MET A 52 -7.821 -4.263 -9.644 1.00 0.00 H new ATOM 803 N GLU A 53 -4.077 0.635 -5.393 1.00 0.00 N ATOM 804 CA GLU A 53 -3.458 1.800 -4.774 1.00 0.00 C ATOM 805 C GLU A 53 -1.953 1.629 -4.747 1.00 0.00 C ATOM 806 O GLU A 53 -1.224 2.558 -4.995 1.00 0.00 O ATOM 807 CB GLU A 53 -3.951 2.011 -3.346 1.00 0.00 C ATOM 808 CG GLU A 53 -5.393 2.458 -3.221 1.00 0.00 C ATOM 809 CD GLU A 53 -5.648 3.816 -3.839 1.00 0.00 C ATOM 810 OE1 GLU A 53 -6.174 3.882 -4.964 1.00 0.00 O ATOM 811 OE2 GLU A 53 -5.332 4.847 -3.208 1.00 0.00 O ATOM 0 H GLU A 53 -4.623 0.062 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.734 2.670 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.827 1.079 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.314 2.753 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.039 1.721 -3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.668 2.487 -2.167 1.00 0.00 H new ATOM 818 N LEU A 54 -1.510 0.429 -4.439 1.00 0.00 N ATOM 819 CA LEU A 54 -0.099 0.088 -4.387 1.00 0.00 C ATOM 820 C LEU A 54 0.553 0.243 -5.750 1.00 0.00 C ATOM 821 O LEU A 54 1.634 0.814 -5.868 1.00 0.00 O ATOM 822 CB LEU A 54 0.073 -1.336 -3.897 1.00 0.00 C ATOM 823 CG LEU A 54 1.498 -1.792 -3.631 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.187 -0.851 -2.663 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.480 -3.189 -3.074 1.00 0.00 C ATOM 0 H LEU A 54 -2.127 -0.351 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 54 0.388 0.773 -3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.500 -1.452 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.368 -2.007 -4.634 1.00 0.00 H new ATOM 0 HG LEU A 54 2.054 -1.783 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.206 -1.194 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.211 0.153 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.640 -0.834 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.502 -3.518 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.914 -3.202 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.011 -3.861 -3.793 1.00 0.00 H new ATOM 837 N ILE A 55 -0.116 -0.267 -6.766 1.00 0.00 N ATOM 838 CA ILE A 55 0.339 -0.142 -8.152 1.00 0.00 C ATOM 839 C ILE A 55 0.431 1.334 -8.502 1.00 0.00 C ATOM 840 O ILE A 55 1.395 1.758 -9.070 1.00 0.00 O ATOM 841 CB ILE A 55 -0.610 -0.871 -9.150 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.754 -2.349 -8.755 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.066 -0.765 -10.585 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.795 -3.113 -9.548 1.00 0.00 C ATOM 0 H ILE A 55 -0.991 -0.781 -6.662 1.00 0.00 H new ATOM 0 HA ILE A 55 1.316 -0.617 -8.238 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.588 -0.392 -9.110 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.211 -2.841 -8.878 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.008 -2.406 -7.697 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.741 -1.280 -11.269 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.008 0.285 -10.869 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.921 -1.225 -10.635 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.829 -4.146 -9.203 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.772 -2.651 -9.406 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.534 -3.092 -10.606 1.00 0.00 H new ATOM 856 N LYS A 56 -0.574 2.093 -8.092 1.00 0.00 N ATOM 857 CA LYS A 56 -0.605 3.554 -8.219 1.00 0.00 C ATOM 858 C LYS A 56 0.639 4.203 -7.580 1.00 0.00 C ATOM 859 O LYS A 56 1.294 5.042 -8.211 1.00 0.00 O ATOM 860 CB LYS A 56 -1.911 4.058 -7.581 1.00 0.00 C ATOM 861 CG LYS A 56 -1.871 5.414 -6.882 1.00 0.00 C ATOM 862 CD LYS A 56 -3.184 5.663 -6.178 1.00 0.00 C ATOM 863 CE LYS A 56 -3.126 6.862 -5.267 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.410 7.072 -4.572 1.00 0.00 N ATOM 0 H LYS A 56 -1.410 1.709 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.581 3.838 -9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.672 4.103 -8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.241 3.314 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.052 5.440 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.682 6.203 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.969 5.811 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.455 4.781 -5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.331 6.725 -4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.875 7.750 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.343 7.914 -3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.166 7.209 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.628 6.241 -3.986 1.00 0.00 H new ATOM 878 N LYS A 57 0.959 3.778 -6.357 1.00 0.00 N ATOM 879 CA LYS A 57 2.102 4.288 -5.599 1.00 0.00 C ATOM 880 C LYS A 57 3.406 4.030 -6.352 1.00 0.00 C ATOM 881 O LYS A 57 4.167 4.948 -6.631 1.00 0.00 O ATOM 882 CB LYS A 57 2.205 3.593 -4.219 1.00 0.00 C ATOM 883 CG LYS A 57 0.999 3.708 -3.291 1.00 0.00 C ATOM 884 CD LYS A 57 0.649 5.137 -2.892 1.00 0.00 C ATOM 885 CE LYS A 57 1.739 5.772 -2.028 1.00 0.00 C ATOM 886 NZ LYS A 57 1.320 7.085 -1.508 1.00 0.00 N ATOM 0 H LYS A 57 0.427 3.063 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 57 1.948 5.359 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.403 2.534 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.072 4.000 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.135 3.258 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.193 3.128 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.501 5.738 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.295 5.141 -2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.977 5.109 -1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.650 5.886 -2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.082 7.487 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.116 7.724 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.465 6.972 -0.927 1.00 0.00 H new ATOM 900 N VAL A 58 3.619 2.778 -6.702 1.00 0.00 N ATOM 901 CA VAL A 58 4.856 2.318 -7.323 1.00 0.00 C ATOM 902 C VAL A 58 4.961 2.719 -8.808 1.00 0.00 C ATOM 903 O VAL A 58 6.057 2.901 -9.340 1.00 0.00 O ATOM 904 CB VAL A 58 4.982 0.797 -7.142 1.00 0.00 C ATOM 905 CG1 VAL A 58 6.295 0.260 -7.703 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.861 0.452 -5.669 1.00 0.00 C ATOM 0 H VAL A 58 2.932 2.037 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 58 5.689 2.812 -6.822 1.00 0.00 H new ATOM 0 HB VAL A 58 4.175 0.324 -7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.341 -0.819 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.353 0.481 -8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.131 0.733 -7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.950 -0.627 -5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.654 0.951 -5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.892 0.783 -5.296 1.00 0.00 H new ATOM 916 N SER A 59 3.829 2.869 -9.469 1.00 0.00 N ATOM 917 CA SER A 59 3.807 3.357 -10.853 1.00 0.00 C ATOM 918 C SER A 59 4.369 4.788 -10.888 1.00 0.00 C ATOM 919 O SER A 59 5.047 5.190 -11.834 1.00 0.00 O ATOM 920 CB SER A 59 2.362 3.328 -11.415 1.00 0.00 C ATOM 921 OG SER A 59 2.290 3.699 -12.790 1.00 0.00 O ATOM 0 H SER A 59 2.909 2.663 -9.079 1.00 0.00 H new ATOM 0 HA SER A 59 4.423 2.709 -11.477 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.951 2.326 -11.293 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.737 4.002 -10.829 1.00 0.00 H new ATOM 0 HG SER A 59 1.358 3.662 -13.091 1.00 0.00 H new ATOM 927 N ASN A 60 4.115 5.511 -9.823 1.00 0.00 N ATOM 928 CA ASN A 60 4.560 6.874 -9.660 1.00 0.00 C ATOM 929 C ASN A 60 5.980 6.935 -9.075 1.00 0.00 C ATOM 930 O ASN A 60 6.773 7.808 -9.431 1.00 0.00 O ATOM 931 CB ASN A 60 3.560 7.608 -8.741 1.00 0.00 C ATOM 932 CG ASN A 60 3.989 9.001 -8.318 1.00 0.00 C ATOM 933 OD1 ASN A 60 3.721 9.989 -8.997 1.00 0.00 O ATOM 934 ND2 ASN A 60 4.593 9.099 -7.161 1.00 0.00 N ATOM 0 H ASN A 60 3.581 5.160 -9.028 1.00 0.00 H new ATOM 0 HA ASN A 60 4.596 7.359 -10.635 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.601 7.679 -9.254 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.400 7.005 -7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.855 10.016 -6.799 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.801 8.259 -6.622 1.00 0.00 H new ATOM 941 N ASN A 61 6.305 6.008 -8.206 1.00 0.00 N ATOM 942 CA ASN A 61 7.566 6.043 -7.486 1.00 0.00 C ATOM 943 C ASN A 61 8.212 4.655 -7.372 1.00 0.00 C ATOM 944 O ASN A 61 7.600 3.736 -6.859 1.00 0.00 O ATOM 945 CB ASN A 61 7.312 6.657 -6.089 1.00 0.00 C ATOM 946 CG ASN A 61 8.513 6.652 -5.166 1.00 0.00 C ATOM 947 OD1 ASN A 61 9.353 7.553 -5.213 1.00 0.00 O ATOM 948 ND2 ASN A 61 8.568 5.690 -4.278 1.00 0.00 N ATOM 0 H ASN A 61 5.711 5.211 -7.975 1.00 0.00 H new ATOM 0 HA ASN A 61 8.273 6.657 -8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.973 7.685 -6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.500 6.110 -5.609 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.325 5.670 -3.594 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.854 4.961 -4.270 1.00 0.00 H new ATOM 955 N THR A 62 9.471 4.555 -7.836 1.00 0.00 N ATOM 956 CA THR A 62 10.317 3.333 -7.794 1.00 0.00 C ATOM 957 C THR A 62 9.813 2.265 -8.831 1.00 0.00 C ATOM 958 O THR A 62 9.117 2.617 -9.795 1.00 0.00 O ATOM 959 CB THR A 62 10.441 2.765 -6.328 1.00 0.00 C ATOM 960 OG1 THR A 62 10.476 3.872 -5.421 1.00 0.00 O ATOM 961 CG2 THR A 62 11.766 2.017 -6.129 1.00 0.00 C ATOM 0 H THR A 62 9.950 5.346 -8.267 1.00 0.00 H new ATOM 0 HA THR A 62 11.329 3.605 -8.095 1.00 0.00 H new ATOM 0 HB THR A 62 9.600 2.094 -6.155 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.233 3.768 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.820 1.638 -5.108 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.822 1.183 -6.829 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.598 2.698 -6.308 1.00 0.00 H new ATOM 969 N SER A 63 10.205 1.016 -8.680 1.00 0.00 N ATOM 970 CA SER A 63 9.879 -0.036 -9.593 1.00 0.00 C ATOM 971 C SER A 63 9.659 -1.296 -8.784 1.00 0.00 C ATOM 972 O SER A 63 10.373 -1.474 -7.767 1.00 0.00 O ATOM 973 CB SER A 63 11.027 -0.241 -10.589 1.00 0.00 C ATOM 974 OG SER A 63 11.306 0.962 -11.302 1.00 0.00 O ATOM 975 OXT SER A 63 8.811 -2.133 -9.168 1.00 0.00 O ATOM 0 H SER A 63 10.775 0.707 -7.893 1.00 0.00 H new ATOM 0 HA SER A 63 8.981 0.213 -10.158 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.920 -0.568 -10.057 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.766 -1.032 -11.292 1.00 0.00 H new ATOM 0 HG SER A 63 12.042 0.807 -11.930 1.00 0.00 H new TER 981 SER A 63 HETATM 982 CA CA A 101 8.423 -1.401 0.497 1.00 0.00 CA HETATM 983 CA CA A 102 -8.422 -1.877 1.677 1.00 0.00 CA