USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 468 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 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.185 K(o=-0.18,f=-0.82) USER MOD Single : A 28 ASN : amide:sc= -0.0488 X(o=-0.049,f=0.29) USER MOD Single : A 30 THR OG1 : rot -47:sc= 0.177 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot -31:sc= 0.136 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00411) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 64 N VAL A 4 4.831 -14.645 -1.300 1.00 0.00 N ATOM 65 CA VAL A 4 4.473 -15.416 -0.151 1.00 0.00 C ATOM 66 C VAL A 4 3.013 -15.695 -0.052 1.00 0.00 C ATOM 67 O VAL A 4 2.604 -16.834 -0.273 1.00 0.00 O ATOM 68 CB VAL A 4 5.013 -14.874 1.140 1.00 0.00 C ATOM 69 CG1 VAL A 4 4.837 -15.909 2.263 1.00 0.00 C ATOM 70 CG2 VAL A 4 6.518 -14.620 0.957 1.00 0.00 C ATOM 0 HA VAL A 4 4.969 -16.373 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 4 4.482 -13.959 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.232 -15.505 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.778 -16.136 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.376 -16.821 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.936 -14.225 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.017 -15.556 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.670 -13.899 0.154 1.00 0.00 H new ATOM 80 N ILE A 5 2.134 -14.731 0.278 1.00 0.00 N ATOM 81 CA ILE A 5 0.741 -15.040 0.361 1.00 0.00 C ATOM 82 C ILE A 5 0.176 -14.937 -1.015 1.00 0.00 C ATOM 83 O ILE A 5 -0.164 -15.930 -1.657 1.00 0.00 O ATOM 84 CB ILE A 5 -0.026 -14.187 1.328 1.00 0.00 C ATOM 85 CG1 ILE A 5 0.443 -14.341 2.785 1.00 0.00 C ATOM 86 CG2 ILE A 5 -1.515 -14.569 1.299 1.00 0.00 C ATOM 87 CD1 ILE A 5 1.775 -13.672 3.125 1.00 0.00 C ATOM 0 H ILE A 5 2.379 -13.762 0.482 1.00 0.00 H new ATOM 0 HA ILE A 5 0.641 -16.050 0.759 1.00 0.00 H new ATOM 0 HB ILE A 5 0.145 -13.159 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.326 -13.932 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.523 -15.404 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.064 -13.945 2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.910 -14.417 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.627 -15.617 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.010 -13.842 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.564 -14.095 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.702 -12.601 2.939 1.00 0.00 H new ATOM 99 N ALA A 6 0.095 -13.703 -1.542 1.00 0.00 N ATOM 100 CA ALA A 6 -0.601 -13.466 -2.769 1.00 0.00 C ATOM 101 C ALA A 6 -0.043 -12.333 -3.558 1.00 0.00 C ATOM 102 O ALA A 6 0.538 -11.396 -3.011 1.00 0.00 O ATOM 103 CB ALA A 6 -2.074 -13.202 -2.418 1.00 0.00 C ATOM 0 H ALA A 6 0.510 -12.872 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.490 -14.344 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.638 -13.016 -3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.488 -14.071 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.142 -12.331 -1.766 1.00 0.00 H new ATOM 109 N THR A 7 -0.241 -12.377 -4.888 1.00 0.00 N ATOM 110 CA THR A 7 0.013 -11.337 -5.837 1.00 0.00 C ATOM 111 C THR A 7 -1.267 -10.801 -6.379 1.00 0.00 C ATOM 112 O THR A 7 -2.276 -11.503 -6.445 1.00 0.00 O ATOM 113 CB THR A 7 0.864 -11.772 -6.993 1.00 0.00 C ATOM 114 OG1 THR A 7 0.345 -12.916 -7.654 1.00 0.00 O ATOM 115 CG2 THR A 7 2.240 -12.196 -6.454 1.00 0.00 C ATOM 0 H THR A 7 -0.611 -13.215 -5.337 1.00 0.00 H new ATOM 0 HA THR A 7 0.560 -10.571 -5.288 1.00 0.00 H new ATOM 0 HB THR A 7 0.904 -10.933 -7.688 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.933 -13.158 -8.399 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.872 -12.516 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.707 -11.353 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.117 -13.021 -5.752 1.00 0.00 H new ATOM 123 N LYS A 8 -1.299 -9.507 -6.746 1.00 0.00 N ATOM 124 CA LYS A 8 -2.461 -8.778 -7.151 1.00 0.00 C ATOM 125 C LYS A 8 -3.609 -8.819 -6.202 1.00 0.00 C ATOM 126 O LYS A 8 -4.659 -9.412 -6.443 1.00 0.00 O ATOM 127 CB LYS A 8 -2.881 -9.042 -8.607 1.00 0.00 C ATOM 128 CG LYS A 8 -1.778 -8.670 -9.598 1.00 0.00 C ATOM 129 CD LYS A 8 -2.276 -8.606 -11.044 1.00 0.00 C ATOM 130 CE LYS A 8 -1.195 -8.084 -11.992 1.00 0.00 C ATOM 131 NZ LYS A 8 -1.718 -7.938 -13.369 1.00 0.00 N ATOM 0 H LYS A 8 -0.456 -8.933 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.123 -7.742 -7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.135 -10.095 -8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.781 -8.470 -8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.357 -7.703 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.972 -9.400 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.592 -9.599 -11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.152 -7.959 -11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.828 -7.122 -11.635 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.346 -8.768 -11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.964 -7.582 -13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.046 -8.862 -13.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.512 -7.267 -13.369 1.00 0.00 H new ATOM 145 N VAL A 9 -3.402 -8.179 -5.036 1.00 0.00 N ATOM 146 CA VAL A 9 -4.155 -8.298 -3.827 1.00 0.00 C ATOM 147 C VAL A 9 -4.712 -6.963 -3.465 1.00 0.00 C ATOM 148 O VAL A 9 -4.072 -5.939 -3.698 1.00 0.00 O ATOM 149 CB VAL A 9 -3.266 -8.725 -2.697 1.00 0.00 C ATOM 150 CG1 VAL A 9 -4.097 -9.101 -1.459 1.00 0.00 C ATOM 151 CG2 VAL A 9 -2.430 -9.937 -3.142 1.00 0.00 C ATOM 0 H VAL A 9 -2.634 -7.516 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.945 -9.032 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.611 -7.895 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.431 -9.407 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.682 -8.239 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.768 -9.923 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.782 -10.252 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.094 -10.757 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.821 -9.662 -4.003 1.00 0.00 H new ATOM 161 N LEU A 10 -5.944 -6.908 -2.927 1.00 0.00 N ATOM 162 CA LEU A 10 -6.588 -5.688 -2.552 1.00 0.00 C ATOM 163 C LEU A 10 -6.559 -5.470 -1.077 1.00 0.00 C ATOM 164 O LEU A 10 -6.571 -6.396 -0.269 1.00 0.00 O ATOM 165 CB LEU A 10 -8.038 -5.643 -3.062 1.00 0.00 C ATOM 166 CG LEU A 10 -8.231 -5.356 -4.561 1.00 0.00 C ATOM 167 CD1 LEU A 10 -7.715 -3.962 -4.956 1.00 0.00 C ATOM 168 CD2 LEU A 10 -7.607 -6.409 -5.491 1.00 0.00 C ATOM 0 H LEU A 10 -6.509 -7.738 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.025 -4.881 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.509 -6.599 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.575 -4.881 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.311 -5.399 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.873 -3.805 -6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.256 -3.201 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.651 -3.891 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.789 -6.131 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.533 -6.462 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.056 -7.382 -5.292 1.00 0.00 H new ATOM 180 N GLY A 11 -6.527 -4.194 -0.655 1.00 0.00 N ATOM 181 CA GLY A 11 -6.554 -3.804 0.720 1.00 0.00 C ATOM 182 C GLY A 11 -6.671 -2.321 0.819 1.00 0.00 C ATOM 183 O GLY A 11 -6.616 -1.612 -0.184 1.00 0.00 O ATOM 0 H GLY A 11 -6.480 -3.403 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.394 -4.279 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.647 -4.141 1.222 1.00 0.00 H new ATOM 187 N THR A 12 -6.887 -1.825 2.050 1.00 0.00 N ATOM 188 CA THR A 12 -7.348 -0.496 2.310 1.00 0.00 C ATOM 189 C THR A 12 -6.287 0.314 2.973 1.00 0.00 C ATOM 190 O THR A 12 -5.603 -0.164 3.876 1.00 0.00 O ATOM 191 CB THR A 12 -8.595 -0.486 3.143 1.00 0.00 C ATOM 192 OG1 THR A 12 -9.631 -1.197 2.482 1.00 0.00 O ATOM 193 CG2 THR A 12 -9.148 0.932 3.368 1.00 0.00 C ATOM 0 H THR A 12 -6.735 -2.371 2.898 1.00 0.00 H new ATOM 0 HA THR A 12 -7.587 -0.049 1.345 1.00 0.00 H new ATOM 0 HB THR A 12 -8.315 -0.937 4.095 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.440 -1.186 3.035 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.050 0.878 3.977 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.400 1.537 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.386 1.387 2.406 1.00 0.00 H new ATOM 201 N VAL A 13 -6.109 1.576 2.540 1.00 0.00 N ATOM 202 CA VAL A 13 -5.216 2.519 3.137 1.00 0.00 C ATOM 203 C VAL A 13 -6.015 3.482 3.944 1.00 0.00 C ATOM 204 O VAL A 13 -6.923 4.152 3.454 1.00 0.00 O ATOM 205 CB VAL A 13 -4.429 3.285 2.113 1.00 0.00 C ATOM 206 CG1 VAL A 13 -3.518 4.335 2.771 1.00 0.00 C ATOM 207 CG2 VAL A 13 -3.551 2.299 1.323 1.00 0.00 C ATOM 0 H VAL A 13 -6.611 1.955 1.737 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.509 1.967 3.756 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.131 3.800 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.964 4.870 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.126 5.041 3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.818 3.839 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.974 2.844 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.871 1.790 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.185 1.564 0.827 1.00 0.00 H new ATOM 217 N LYS A 14 -5.716 3.602 5.250 1.00 0.00 N ATOM 218 CA LYS A 14 -6.363 4.526 6.130 1.00 0.00 C ATOM 219 C LYS A 14 -5.446 4.851 7.260 1.00 0.00 C ATOM 220 O LYS A 14 -5.302 4.064 8.194 1.00 0.00 O ATOM 221 CB LYS A 14 -7.710 3.969 6.622 1.00 0.00 C ATOM 222 CG LYS A 14 -8.486 4.876 7.577 1.00 0.00 C ATOM 223 CD LYS A 14 -9.950 4.469 7.753 1.00 0.00 C ATOM 224 CE LYS A 14 -10.161 3.034 8.241 1.00 0.00 C ATOM 225 NZ LYS A 14 -11.608 2.776 8.409 1.00 0.00 N ATOM 0 H LYS A 14 -5.001 3.038 5.709 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.586 5.447 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.337 3.762 5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.530 3.016 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.996 4.869 8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.444 5.900 7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.420 5.152 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.465 4.594 6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.736 2.330 7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.641 2.880 9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.751 1.801 8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.000 3.440 9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.092 2.906 7.498 1.00 0.00 H new ATOM 239 N TRP A 15 -4.778 6.013 7.159 1.00 0.00 N ATOM 240 CA TRP A 15 -3.716 6.469 8.001 1.00 0.00 C ATOM 241 C TRP A 15 -2.397 5.840 7.706 1.00 0.00 C ATOM 242 O TRP A 15 -2.299 4.758 7.129 1.00 0.00 O ATOM 243 CB TRP A 15 -4.062 6.535 9.498 1.00 0.00 C ATOM 244 CG TRP A 15 -5.368 7.225 9.809 1.00 0.00 C ATOM 245 CD1 TRP A 15 -6.461 6.709 10.444 1.00 0.00 C ATOM 246 CD2 TRP A 15 -5.706 8.584 9.476 1.00 0.00 C ATOM 247 NE1 TRP A 15 -7.450 7.653 10.538 1.00 0.00 N ATOM 248 CE2 TRP A 15 -7.012 8.806 9.931 1.00 0.00 C ATOM 249 CE3 TRP A 15 -5.010 9.581 8.847 1.00 0.00 C ATOM 250 CZ2 TRP A 15 -7.629 10.011 9.737 1.00 0.00 C ATOM 251 CZ3 TRP A 15 -5.634 10.791 8.660 1.00 0.00 C ATOM 252 CH2 TRP A 15 -6.924 11.000 9.092 1.00 0.00 C ATOM 0 H TRP A 15 -5.000 6.688 6.428 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.592 7.515 7.721 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.098 5.520 9.895 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.258 7.053 10.021 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.536 5.699 10.819 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.358 7.522 10.983 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.998 9.421 8.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -8.639 10.181 10.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.103 11.591 8.166 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -7.391 11.959 8.921 1.00 0.00 H new ATOM 263 N PHE A 16 -1.301 6.546 8.035 1.00 0.00 N ATOM 264 CA PHE A 16 0.021 6.248 7.576 1.00 0.00 C ATOM 265 C PHE A 16 1.012 6.339 8.685 1.00 0.00 C ATOM 266 O PHE A 16 0.637 6.415 9.855 1.00 0.00 O ATOM 267 CB PHE A 16 0.348 7.238 6.445 1.00 0.00 C ATOM 268 CG PHE A 16 0.796 6.604 5.174 1.00 0.00 C ATOM 269 CD1 PHE A 16 0.005 5.675 4.542 1.00 0.00 C ATOM 270 CD2 PHE A 16 1.954 7.032 4.568 1.00 0.00 C ATOM 271 CE1 PHE A 16 0.366 5.176 3.313 1.00 0.00 C ATOM 272 CE2 PHE A 16 2.314 6.536 3.337 1.00 0.00 C ATOM 273 CZ PHE A 16 1.516 5.615 2.700 1.00 0.00 C ATOM 0 H PHE A 16 -1.337 7.361 8.648 1.00 0.00 H new ATOM 0 HA PHE A 16 0.073 5.224 7.206 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.536 7.842 6.242 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.126 7.919 6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.905 5.335 5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.582 7.760 5.060 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.255 4.438 2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.227 6.871 2.868 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.790 5.239 1.725 1.00 0.00 H new ATOM 283 N ASN A 17 2.323 6.335 8.389 1.00 0.00 N ATOM 284 CA ASN A 17 3.340 6.552 9.371 1.00 0.00 C ATOM 285 C ASN A 17 4.255 7.637 8.918 1.00 0.00 C ATOM 286 O ASN A 17 5.445 7.425 8.688 1.00 0.00 O ATOM 287 CB ASN A 17 4.102 5.245 9.650 1.00 0.00 C ATOM 288 CG ASN A 17 4.772 5.280 11.015 1.00 0.00 C ATOM 289 OD1 ASN A 17 4.133 5.024 12.034 1.00 0.00 O ATOM 290 ND2 ASN A 17 6.092 5.611 11.031 1.00 0.00 N ATOM 0 H ASN A 17 2.685 6.178 7.448 1.00 0.00 H new ATOM 0 HA ASN A 17 2.879 6.868 10.307 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.413 4.402 9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.854 5.087 8.877 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.596 5.655 11.917 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.577 5.815 10.157 1.00 0.00 H new ATOM 297 N VAL A 18 3.705 8.857 8.786 1.00 0.00 N ATOM 298 CA VAL A 18 4.337 10.034 8.274 1.00 0.00 C ATOM 299 C VAL A 18 5.434 10.596 9.113 1.00 0.00 C ATOM 300 O VAL A 18 6.272 11.369 8.653 1.00 0.00 O ATOM 301 CB VAL A 18 3.328 11.118 8.035 1.00 0.00 C ATOM 302 CG1 VAL A 18 2.608 10.846 6.703 1.00 0.00 C ATOM 303 CG2 VAL A 18 2.319 11.234 9.190 1.00 0.00 C ATOM 0 H VAL A 18 2.739 9.033 9.060 1.00 0.00 H new ATOM 0 HA VAL A 18 4.799 9.696 7.346 1.00 0.00 H new ATOM 0 HB VAL A 18 3.851 12.073 7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.872 11.629 6.521 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.336 10.836 5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.105 9.880 6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.608 12.031 8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.784 10.291 9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.849 11.462 10.115 1.00 0.00 H new ATOM 313 N ARG A 19 5.443 10.318 10.429 1.00 0.00 N ATOM 314 CA ARG A 19 6.445 10.775 11.342 1.00 0.00 C ATOM 315 C ARG A 19 7.830 10.342 11.003 1.00 0.00 C ATOM 316 O ARG A 19 8.773 11.132 10.964 1.00 0.00 O ATOM 317 CB ARG A 19 6.069 10.343 12.770 1.00 0.00 C ATOM 318 CG ARG A 19 6.811 11.108 13.868 1.00 0.00 C ATOM 319 CD ARG A 19 6.636 10.550 15.282 1.00 0.00 C ATOM 320 NE ARG A 19 5.182 10.621 15.605 1.00 0.00 N ATOM 321 CZ ARG A 19 4.632 10.113 16.746 1.00 0.00 C ATOM 322 NH1 ARG A 19 5.370 9.513 17.725 1.00 0.00 N ATOM 323 NH2 ARG A 19 3.277 10.206 16.881 1.00 0.00 N ATOM 0 H ARG A 19 4.722 9.751 10.876 1.00 0.00 H new ATOM 0 HA ARG A 19 6.464 11.862 11.266 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.996 10.478 12.909 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.273 9.278 12.882 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.874 11.118 13.627 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.473 12.144 13.859 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.993 9.522 15.337 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.219 11.128 15.999 1.00 0.00 H new ATOM 0 HE ARG A 19 4.563 11.076 14.934 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.381 9.428 17.622 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.910 9.149 18.560 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.720 10.641 16.146 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.821 9.840 17.717 1.00 0.00 H new ATOM 337 N ASN A 20 8.014 9.040 10.724 1.00 0.00 N ATOM 338 CA ASN A 20 9.255 8.519 10.240 1.00 0.00 C ATOM 339 C ASN A 20 9.278 8.470 8.750 1.00 0.00 C ATOM 340 O ASN A 20 10.301 8.745 8.125 1.00 0.00 O ATOM 341 CB ASN A 20 9.553 7.137 10.845 1.00 0.00 C ATOM 342 CG ASN A 20 9.705 7.298 12.351 1.00 0.00 C ATOM 343 OD1 ASN A 20 8.722 7.386 13.085 1.00 0.00 O ATOM 344 ND2 ASN A 20 10.969 7.396 12.844 1.00 0.00 N ATOM 0 H ASN A 20 7.286 8.334 10.837 1.00 0.00 H new ATOM 0 HA ASN A 20 10.044 9.199 10.561 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.746 6.441 10.617 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.464 6.722 10.414 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.117 7.546 13.842 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.769 7.320 12.216 1.00 0.00 H new ATOM 351 N GLY A 21 8.153 8.141 8.090 1.00 0.00 N ATOM 352 CA GLY A 21 8.036 8.208 6.666 1.00 0.00 C ATOM 353 C GLY A 21 7.885 6.871 6.027 1.00 0.00 C ATOM 354 O GLY A 21 8.655 6.467 5.157 1.00 0.00 O ATOM 0 H GLY A 21 7.305 7.821 8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.177 8.827 6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.918 8.701 6.258 1.00 0.00 H new ATOM 358 N TYR A 22 6.847 6.124 6.447 1.00 0.00 N ATOM 359 CA TYR A 22 6.524 4.827 5.939 1.00 0.00 C ATOM 360 C TYR A 22 5.042 4.739 5.803 1.00 0.00 C ATOM 361 O TYR A 22 4.297 5.566 6.328 1.00 0.00 O ATOM 362 CB TYR A 22 6.993 3.703 6.877 1.00 0.00 C ATOM 363 CG TYR A 22 8.477 3.564 6.872 1.00 0.00 C ATOM 364 CD1 TYR A 22 9.101 2.886 5.852 1.00 0.00 C ATOM 365 CD2 TYR A 22 9.233 4.075 7.902 1.00 0.00 C ATOM 366 CE1 TYR A 22 10.466 2.717 5.863 1.00 0.00 C ATOM 367 CE2 TYR A 22 10.598 3.915 7.913 1.00 0.00 C ATOM 368 CZ TYR A 22 11.215 3.228 6.895 1.00 0.00 C ATOM 369 OH TYR A 22 12.614 3.037 6.904 1.00 0.00 O ATOM 0 H TYR A 22 6.204 6.439 7.174 1.00 0.00 H new ATOM 0 HA TYR A 22 7.031 4.699 4.982 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.650 3.909 7.891 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.538 2.761 6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.516 2.484 5.038 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.750 4.606 8.709 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.950 2.182 5.059 1.00 0.00 H new ATOM 0 HE2 TYR A 22 11.185 4.328 8.720 1.00 0.00 H new ATOM 0 HH TYR A 22 12.997 3.460 7.701 1.00 0.00 H new ATOM 379 N GLY A 23 4.543 3.711 5.094 1.00 0.00 N ATOM 380 CA GLY A 23 3.143 3.444 4.984 1.00 0.00 C ATOM 381 C GLY A 23 2.840 2.028 5.341 1.00 0.00 C ATOM 382 O GLY A 23 3.705 1.156 5.311 1.00 0.00 O ATOM 0 H GLY A 23 5.128 3.049 4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.588 4.115 5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.809 3.646 3.966 1.00 0.00 H new ATOM 386 N PHE A 24 1.565 1.736 5.656 1.00 0.00 N ATOM 387 CA PHE A 24 1.097 0.395 5.818 1.00 0.00 C ATOM 388 C PHE A 24 -0.268 0.274 5.234 1.00 0.00 C ATOM 389 O PHE A 24 -1.062 1.213 5.249 1.00 0.00 O ATOM 390 CB PHE A 24 1.164 -0.130 7.262 1.00 0.00 C ATOM 391 CG PHE A 24 0.551 0.795 8.256 1.00 0.00 C ATOM 392 CD1 PHE A 24 -0.806 0.796 8.471 1.00 0.00 C ATOM 393 CD2 PHE A 24 1.334 1.680 8.962 1.00 0.00 C ATOM 394 CE1 PHE A 24 -1.382 1.681 9.353 1.00 0.00 C ATOM 395 CE2 PHE A 24 0.774 2.571 9.846 1.00 0.00 C ATOM 396 CZ PHE A 24 -0.588 2.573 10.034 1.00 0.00 C ATOM 0 H PHE A 24 0.846 2.445 5.801 1.00 0.00 H new ATOM 0 HA PHE A 24 1.783 -0.253 5.273 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.659 -1.094 7.314 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.206 -0.301 7.531 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.430 0.092 7.940 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.404 1.674 8.819 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.451 1.675 9.509 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.399 3.264 10.389 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.036 3.278 10.719 1.00 0.00 H new ATOM 406 N ILE A 25 -0.589 -0.905 4.669 1.00 0.00 N ATOM 407 CA ILE A 25 -1.854 -1.238 4.093 1.00 0.00 C ATOM 408 C ILE A 25 -2.535 -2.217 4.986 1.00 0.00 C ATOM 409 O ILE A 25 -1.875 -3.047 5.609 1.00 0.00 O ATOM 410 CB ILE A 25 -1.759 -1.838 2.721 1.00 0.00 C ATOM 411 CG1 ILE A 25 -0.517 -1.331 1.967 1.00 0.00 C ATOM 412 CG2 ILE A 25 -3.051 -1.512 1.954 1.00 0.00 C ATOM 413 CD1 ILE A 25 -0.338 -1.879 0.553 1.00 0.00 C ATOM 0 H ILE A 25 0.079 -1.674 4.612 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.410 -0.306 3.993 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.648 -2.919 2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.565 -0.243 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.369 -1.583 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.998 -1.941 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.905 -1.932 2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.167 -0.431 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.566 -1.459 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.252 -2.965 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.200 -1.605 -0.055 1.00 0.00 H new ATOM 425 N ASN A 26 -3.878 -2.189 5.060 1.00 0.00 N ATOM 426 CA ASN A 26 -4.632 -3.217 5.707 1.00 0.00 C ATOM 427 C ASN A 26 -5.216 -4.126 4.679 1.00 0.00 C ATOM 428 O ASN A 26 -6.260 -3.859 4.089 1.00 0.00 O ATOM 429 CB ASN A 26 -5.684 -2.607 6.650 1.00 0.00 C ATOM 430 CG ASN A 26 -6.062 -3.560 7.776 1.00 0.00 C ATOM 431 OD1 ASN A 26 -7.207 -3.977 7.944 1.00 0.00 O ATOM 432 ND2 ASN A 26 -5.059 -3.920 8.620 1.00 0.00 N ATOM 0 H ASN A 26 -4.449 -1.442 4.665 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.979 -3.820 6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.297 -1.680 7.074 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.576 -2.348 6.079 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.251 -4.543 9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.114 -3.567 8.469 1.00 0.00 H new ATOM 439 N ARG A 27 -4.521 -5.240 4.391 1.00 0.00 N ATOM 440 CA ARG A 27 -4.972 -6.278 3.516 1.00 0.00 C ATOM 441 C ARG A 27 -6.118 -7.074 4.035 1.00 0.00 C ATOM 442 O ARG A 27 -6.083 -7.587 5.153 1.00 0.00 O ATOM 443 CB ARG A 27 -3.759 -7.183 3.242 1.00 0.00 C ATOM 444 CG ARG A 27 -3.991 -8.223 2.145 1.00 0.00 C ATOM 445 CD ARG A 27 -4.241 -9.647 2.647 1.00 0.00 C ATOM 446 NE ARG A 27 -4.773 -10.406 1.480 1.00 0.00 N ATOM 447 CZ ARG A 27 -5.058 -11.739 1.545 1.00 0.00 C ATOM 448 NH1 ARG A 27 -4.516 -12.561 2.491 1.00 0.00 N ATOM 449 NH2 ARG A 27 -5.985 -12.262 0.690 1.00 0.00 N ATOM 0 H ARG A 27 -3.600 -5.426 4.787 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.360 -5.816 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.910 -6.559 2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.487 -7.697 4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.845 -7.911 1.544 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.123 -8.233 1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.320 -10.097 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.953 -9.651 3.472 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.930 -9.912 0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.871 -12.184 3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.756 -13.552 2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.454 -11.658 0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.209 -13.257 0.727 1.00 0.00 H new ATOM 463 N ASN A 28 -7.185 -7.228 3.231 1.00 0.00 N ATOM 464 CA ASN A 28 -8.379 -7.908 3.627 1.00 0.00 C ATOM 465 C ASN A 28 -8.261 -9.392 3.683 1.00 0.00 C ATOM 466 O ASN A 28 -8.190 -10.071 2.661 1.00 0.00 O ATOM 467 CB ASN A 28 -9.653 -7.438 2.903 1.00 0.00 C ATOM 468 CG ASN A 28 -9.576 -7.381 1.384 1.00 0.00 C ATOM 469 OD1 ASN A 28 -9.390 -8.354 0.655 1.00 0.00 O ATOM 470 ND2 ASN A 28 -9.755 -6.152 0.831 1.00 0.00 N ATOM 0 H ASN A 28 -7.218 -6.869 2.277 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.505 -7.594 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.471 -8.103 3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.911 -6.445 3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.735 -6.041 -0.183 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.910 -5.341 1.430 1.00 0.00 H new ATOM 477 N ASP A 29 -8.226 -9.949 4.908 1.00 0.00 N ATOM 478 CA ASP A 29 -8.253 -11.354 5.177 1.00 0.00 C ATOM 479 C ASP A 29 -8.518 -11.545 6.630 1.00 0.00 C ATOM 480 O ASP A 29 -9.632 -11.834 7.066 1.00 0.00 O ATOM 481 CB ASP A 29 -6.971 -12.063 4.710 1.00 0.00 C ATOM 482 CG ASP A 29 -7.141 -13.561 4.505 1.00 0.00 C ATOM 483 OD1 ASP A 29 -8.200 -14.134 4.876 1.00 0.00 O ATOM 484 OD2 ASP A 29 -6.204 -14.186 3.940 1.00 0.00 O ATOM 0 H ASP A 29 -8.176 -9.387 5.758 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.054 -11.820 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.637 -11.613 3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.184 -11.893 5.445 1.00 0.00 H new ATOM 489 N THR A 30 -7.495 -11.330 7.477 1.00 0.00 N ATOM 490 CA THR A 30 -7.575 -11.462 8.898 1.00 0.00 C ATOM 491 C THR A 30 -6.771 -10.304 9.381 1.00 0.00 C ATOM 492 O THR A 30 -5.939 -10.380 10.283 1.00 0.00 O ATOM 493 CB THR A 30 -7.105 -12.795 9.402 1.00 0.00 C ATOM 494 OG1 THR A 30 -7.143 -12.935 10.815 1.00 0.00 O ATOM 495 CG2 THR A 30 -5.681 -13.148 8.941 1.00 0.00 C ATOM 0 H THR A 30 -6.568 -11.051 7.155 1.00 0.00 H new ATOM 0 HA THR A 30 -8.598 -11.441 9.274 1.00 0.00 H new ATOM 0 HB THR A 30 -7.825 -13.484 8.961 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.740 -12.146 11.233 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.401 -14.123 9.339 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.648 -13.177 7.852 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.983 -12.394 9.305 1.00 0.00 H new ATOM 503 N LYS A 31 -6.995 -9.150 8.725 1.00 0.00 N ATOM 504 CA LYS A 31 -6.332 -7.899 8.926 1.00 0.00 C ATOM 505 C LYS A 31 -4.844 -7.988 8.903 1.00 0.00 C ATOM 506 O LYS A 31 -4.202 -7.919 9.950 1.00 0.00 O ATOM 507 CB LYS A 31 -6.837 -7.247 10.224 1.00 0.00 C ATOM 508 CG LYS A 31 -8.233 -6.624 10.211 1.00 0.00 C ATOM 509 CD LYS A 31 -9.418 -7.578 10.373 1.00 0.00 C ATOM 510 CE LYS A 31 -10.742 -6.875 10.682 1.00 0.00 C ATOM 511 NZ LYS A 31 -11.874 -7.827 10.625 1.00 0.00 N ATOM 0 H LYS A 31 -7.701 -9.090 7.991 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.587 -7.268 8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.814 -8.003 11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.126 -6.471 10.508 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.282 -5.884 11.010 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.356 -6.087 9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.531 -8.159 9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.197 -8.284 11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.694 -6.420 11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.905 -6.068 9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.760 -7.326 10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.931 -8.242 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.727 -8.583 11.324 1.00 0.00 H new ATOM 525 N GLU A 32 -4.202 -8.176 7.736 1.00 0.00 N ATOM 526 CA GLU A 32 -2.806 -8.483 7.678 1.00 0.00 C ATOM 527 C GLU A 32 -2.032 -7.271 7.287 1.00 0.00 C ATOM 528 O GLU A 32 -2.425 -6.541 6.378 1.00 0.00 O ATOM 529 CB GLU A 32 -2.633 -9.657 6.700 1.00 0.00 C ATOM 530 CG GLU A 32 -3.202 -10.961 7.262 1.00 0.00 C ATOM 531 CD GLU A 32 -2.126 -11.921 7.749 1.00 0.00 C ATOM 532 OE1 GLU A 32 -1.250 -12.302 6.926 1.00 0.00 O ATOM 533 OE2 GLU A 32 -2.168 -12.326 8.941 1.00 0.00 O ATOM 0 H GLU A 32 -4.655 -8.115 6.824 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.416 -8.783 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.130 -9.421 5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.574 -9.790 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.876 -10.731 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.797 -11.452 6.492 1.00 0.00 H new ATOM 540 N ASP A 33 -0.930 -6.989 8.005 1.00 0.00 N ATOM 541 CA ASP A 33 -0.270 -5.720 7.983 1.00 0.00 C ATOM 542 C ASP A 33 0.816 -5.722 6.963 1.00 0.00 C ATOM 543 O ASP A 33 1.788 -6.469 7.058 1.00 0.00 O ATOM 544 CB ASP A 33 0.260 -5.449 9.401 1.00 0.00 C ATOM 545 CG ASP A 33 0.757 -4.024 9.598 1.00 0.00 C ATOM 546 OD1 ASP A 33 -0.016 -3.060 9.353 1.00 0.00 O ATOM 547 OD2 ASP A 33 1.914 -3.869 10.073 1.00 0.00 O ATOM 0 H ASP A 33 -0.483 -7.667 8.622 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.956 -4.922 7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.532 -5.653 10.122 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.073 -6.143 9.616 1.00 0.00 H new ATOM 552 N VAL A 34 0.657 -4.899 5.910 1.00 0.00 N ATOM 553 CA VAL A 34 1.549 -4.894 4.793 1.00 0.00 C ATOM 554 C VAL A 34 2.261 -3.584 4.764 1.00 0.00 C ATOM 555 O VAL A 34 1.636 -2.548 4.545 1.00 0.00 O ATOM 556 CB VAL A 34 0.783 -5.079 3.517 1.00 0.00 C ATOM 557 CG1 VAL A 34 1.769 -5.321 2.361 1.00 0.00 C ATOM 558 CG2 VAL A 34 -0.180 -6.273 3.624 1.00 0.00 C ATOM 0 H VAL A 34 -0.105 -4.225 5.834 1.00 0.00 H new ATOM 0 HA VAL A 34 2.264 -5.711 4.890 1.00 0.00 H new ATOM 0 HB VAL A 34 0.199 -4.178 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.215 -5.456 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.435 -4.463 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.357 -6.216 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.724 -6.387 2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.388 -7.181 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.887 -6.099 4.435 1.00 0.00 H new ATOM 568 N PHE A 35 3.586 -3.536 4.993 1.00 0.00 N ATOM 569 CA PHE A 35 4.298 -2.296 4.976 1.00 0.00 C ATOM 570 C PHE A 35 4.732 -1.912 3.603 1.00 0.00 C ATOM 571 O PHE A 35 5.051 -2.757 2.770 1.00 0.00 O ATOM 572 CB PHE A 35 5.371 -2.237 6.078 1.00 0.00 C ATOM 573 CG PHE A 35 6.789 -2.353 5.637 1.00 0.00 C ATOM 574 CD1 PHE A 35 7.408 -3.578 5.545 1.00 0.00 C ATOM 575 CD2 PHE A 35 7.512 -1.219 5.350 1.00 0.00 C ATOM 576 CE1 PHE A 35 8.725 -3.673 5.162 1.00 0.00 C ATOM 577 CE2 PHE A 35 8.832 -1.298 4.973 1.00 0.00 C ATOM 578 CZ PHE A 35 9.437 -2.530 4.884 1.00 0.00 C ATOM 0 H PHE A 35 4.163 -4.354 5.189 1.00 0.00 H new ATOM 0 HA PHE A 35 3.610 -1.495 5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.257 -1.295 6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.170 -3.036 6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.853 -4.475 5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.036 -0.252 5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.198 -4.640 5.080 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.389 -0.400 4.749 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.475 -2.600 4.595 1.00 0.00 H new ATOM 588 N VAL A 36 4.737 -0.601 3.302 1.00 0.00 N ATOM 589 CA VAL A 36 5.050 -0.101 2.000 1.00 0.00 C ATOM 590 C VAL A 36 5.934 1.095 2.092 1.00 0.00 C ATOM 591 O VAL A 36 5.842 1.915 3.004 1.00 0.00 O ATOM 592 CB VAL A 36 3.802 0.117 1.196 1.00 0.00 C ATOM 593 CG1 VAL A 36 2.900 1.210 1.794 1.00 0.00 C ATOM 594 CG2 VAL A 36 4.126 0.402 -0.280 1.00 0.00 C ATOM 0 H VAL A 36 4.518 0.129 3.980 1.00 0.00 H new ATOM 0 HA VAL A 36 5.623 -0.850 1.453 1.00 0.00 H new ATOM 0 HB VAL A 36 3.237 -0.814 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.011 1.328 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.603 0.925 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.445 2.153 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.199 0.555 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.743 1.298 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.666 -0.445 -0.704 1.00 0.00 H new ATOM 604 N HIS A 37 6.886 1.216 1.149 1.00 0.00 N ATOM 605 CA HIS A 37 7.800 2.306 1.001 1.00 0.00 C ATOM 606 C HIS A 37 7.281 3.220 -0.055 1.00 0.00 C ATOM 607 O HIS A 37 6.738 2.776 -1.065 1.00 0.00 O ATOM 608 CB HIS A 37 9.163 1.731 0.582 1.00 0.00 C ATOM 609 CG HIS A 37 10.386 2.513 0.959 1.00 0.00 C ATOM 610 ND1 HIS A 37 11.544 2.461 0.212 1.00 0.00 N ATOM 611 CD2 HIS A 37 10.721 3.159 2.108 1.00 0.00 C ATOM 612 CE1 HIS A 37 12.517 3.086 0.929 1.00 0.00 C ATOM 613 NE2 HIS A 37 12.053 3.522 2.086 1.00 0.00 N ATOM 0 H HIS A 37 7.026 0.498 0.438 1.00 0.00 H new ATOM 0 HA HIS A 37 7.907 2.861 1.933 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.255 0.734 1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.160 1.612 -0.501 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.041 3.360 2.923 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.537 3.210 0.595 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.569 4.021 2.810 1.00 0.00 H new ATOM 621 N GLN A 38 7.402 4.550 0.109 1.00 0.00 N ATOM 622 CA GLN A 38 6.793 5.523 -0.744 1.00 0.00 C ATOM 623 C GLN A 38 7.122 5.429 -2.194 1.00 0.00 C ATOM 624 O GLN A 38 6.259 5.610 -3.051 1.00 0.00 O ATOM 625 CB GLN A 38 7.035 6.948 -0.217 1.00 0.00 C ATOM 626 CG GLN A 38 6.269 7.238 1.075 1.00 0.00 C ATOM 627 CD GLN A 38 6.463 8.658 1.589 1.00 0.00 C ATOM 628 OE1 GLN A 38 5.580 9.507 1.481 1.00 0.00 O ATOM 629 NE2 GLN A 38 7.648 8.948 2.190 1.00 0.00 N ATOM 0 H GLN A 38 7.946 4.964 0.866 1.00 0.00 H new ATOM 0 HA GLN A 38 5.731 5.282 -0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.101 7.090 -0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.739 7.668 -0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.207 7.063 0.905 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.589 6.535 1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.368 8.230 2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.816 9.883 2.561 1.00 0.00 H new ATOM 638 N THR A 39 8.369 5.073 -2.553 1.00 0.00 N ATOM 639 CA THR A 39 8.789 4.865 -3.905 1.00 0.00 C ATOM 640 C THR A 39 8.179 3.699 -4.604 1.00 0.00 C ATOM 641 O THR A 39 8.176 3.626 -5.832 1.00 0.00 O ATOM 642 CB THR A 39 10.284 4.826 -4.024 1.00 0.00 C ATOM 643 OG1 THR A 39 10.740 4.948 -5.363 1.00 0.00 O ATOM 644 CG2 THR A 39 10.895 3.532 -3.460 1.00 0.00 C ATOM 0 H THR A 39 9.115 4.924 -1.874 1.00 0.00 H new ATOM 0 HA THR A 39 8.402 5.740 -4.428 1.00 0.00 H new ATOM 0 HB THR A 39 10.612 5.685 -3.438 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.082 4.550 -5.970 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.979 3.561 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.644 3.441 -2.403 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.496 2.675 -4.003 1.00 0.00 H new ATOM 652 N ALA A 40 7.593 2.726 -3.883 1.00 0.00 N ATOM 653 CA ALA A 40 6.966 1.570 -4.444 1.00 0.00 C ATOM 654 C ALA A 40 5.579 1.849 -4.913 1.00 0.00 C ATOM 655 O ALA A 40 5.015 1.160 -5.762 1.00 0.00 O ATOM 656 CB ALA A 40 6.949 0.445 -3.395 1.00 0.00 C ATOM 0 H ALA A 40 7.555 2.746 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 40 7.544 1.266 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.472 -0.439 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.971 0.202 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.392 0.774 -2.518 1.00 0.00 H new ATOM 662 N ILE A 41 4.962 2.918 -4.379 1.00 0.00 N ATOM 663 CA ILE A 41 3.651 3.378 -4.716 1.00 0.00 C ATOM 664 C ILE A 41 3.748 4.232 -5.934 1.00 0.00 C ATOM 665 O ILE A 41 4.746 4.921 -6.141 1.00 0.00 O ATOM 666 CB ILE A 41 3.047 4.120 -3.561 1.00 0.00 C ATOM 667 CG1 ILE A 41 3.123 3.315 -2.252 1.00 0.00 C ATOM 668 CG2 ILE A 41 1.585 4.476 -3.878 1.00 0.00 C ATOM 669 CD1 ILE A 41 2.726 4.135 -1.024 1.00 0.00 C ATOM 0 H ILE A 41 5.408 3.497 -3.667 1.00 0.00 H new ATOM 0 HA ILE A 41 2.995 2.534 -4.930 1.00 0.00 H new ATOM 0 HB ILE A 41 3.625 5.032 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.470 2.445 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.138 2.941 -2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.151 5.015 -3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.548 5.104 -4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.018 3.562 -4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.800 3.513 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.394 4.990 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.701 4.487 -1.137 1.00 0.00 H new ATOM 681 N LYS A 42 2.744 4.213 -6.828 1.00 0.00 N ATOM 682 CA LYS A 42 2.665 4.999 -8.019 1.00 0.00 C ATOM 683 C LYS A 42 2.939 6.457 -7.870 1.00 0.00 C ATOM 684 O LYS A 42 2.652 7.085 -6.853 1.00 0.00 O ATOM 685 CB LYS A 42 1.357 4.745 -8.786 1.00 0.00 C ATOM 686 CG LYS A 42 0.057 5.213 -8.129 1.00 0.00 C ATOM 687 CD LYS A 42 -0.381 6.660 -8.364 1.00 0.00 C ATOM 688 CE LYS A 42 -0.652 7.015 -9.827 1.00 0.00 C ATOM 689 NZ LYS A 42 -1.338 8.322 -9.941 1.00 0.00 N ATOM 0 H LYS A 42 1.932 3.607 -6.709 1.00 0.00 H new ATOM 0 HA LYS A 42 3.504 4.639 -8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.437 5.230 -9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.276 3.674 -8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.746 4.560 -8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.152 5.062 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.284 6.851 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.391 7.326 -7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.289 7.045 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.264 6.238 -10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.509 8.538 -10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.246 8.283 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.741 9.065 -9.524 1.00 0.00 H new ATOM 904 N GLY A 54 -8.832 9.064 -0.366 1.00 0.00 N ATOM 905 CA GLY A 54 -7.535 8.651 0.072 1.00 0.00 C ATOM 906 C GLY A 54 -7.558 7.903 1.361 1.00 0.00 C ATOM 907 O GLY A 54 -7.129 6.754 1.443 1.00 0.00 O ATOM 0 HA2 GLY A 54 -7.083 8.024 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.899 9.530 0.181 1.00 0.00 H new ATOM 911 N ASP A 55 -8.080 8.534 2.428 1.00 0.00 N ATOM 912 CA ASP A 55 -8.305 7.942 3.710 1.00 0.00 C ATOM 913 C ASP A 55 -9.455 6.996 3.647 1.00 0.00 C ATOM 914 O ASP A 55 -10.616 7.368 3.812 1.00 0.00 O ATOM 915 CB ASP A 55 -8.456 9.027 4.789 1.00 0.00 C ATOM 916 CG ASP A 55 -9.412 10.152 4.415 1.00 0.00 C ATOM 917 OD1 ASP A 55 -9.167 10.870 3.410 1.00 0.00 O ATOM 918 OD2 ASP A 55 -10.452 10.318 5.107 1.00 0.00 O ATOM 0 H ASP A 55 -8.361 9.514 2.393 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.436 7.351 3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.804 8.561 5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.475 9.454 4.999 1.00 0.00 H new ATOM 923 N GLY A 56 -9.192 5.710 3.356 1.00 0.00 N ATOM 924 CA GLY A 56 -10.188 4.710 3.124 1.00 0.00 C ATOM 925 C GLY A 56 -10.262 4.259 1.706 1.00 0.00 C ATOM 926 O GLY A 56 -11.255 3.654 1.304 1.00 0.00 O ATOM 0 H GLY A 56 -8.241 5.350 3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.981 3.849 3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.160 5.101 3.423 1.00 0.00 H new ATOM 930 N GLU A 57 -9.279 4.591 0.851 1.00 0.00 N ATOM 931 CA GLU A 57 -9.179 4.054 -0.470 1.00 0.00 C ATOM 932 C GLU A 57 -8.642 2.666 -0.557 1.00 0.00 C ATOM 933 O GLU A 57 -7.908 2.212 0.319 1.00 0.00 O ATOM 934 CB GLU A 57 -8.435 4.990 -1.437 1.00 0.00 C ATOM 935 CG GLU A 57 -6.908 4.911 -1.410 1.00 0.00 C ATOM 936 CD GLU A 57 -6.262 5.898 -2.372 1.00 0.00 C ATOM 937 OE1 GLU A 57 -6.579 5.851 -3.590 1.00 0.00 O ATOM 938 OE2 GLU A 57 -5.395 6.707 -1.946 1.00 0.00 O ATOM 0 H GLU A 57 -8.535 5.249 1.084 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.219 3.982 -0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.772 4.774 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.729 6.016 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.554 5.108 -0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.594 3.899 -1.666 1.00 0.00 H new ATOM 945 N THR A 58 -8.928 1.952 -1.660 1.00 0.00 N ATOM 946 CA THR A 58 -8.414 0.644 -1.920 1.00 0.00 C ATOM 947 C THR A 58 -7.279 0.740 -2.880 1.00 0.00 C ATOM 948 O THR A 58 -7.262 1.612 -3.747 1.00 0.00 O ATOM 949 CB THR A 58 -9.427 -0.308 -2.487 1.00 0.00 C ATOM 950 OG1 THR A 58 -10.731 -0.009 -2.010 1.00 0.00 O ATOM 951 CG2 THR A 58 -9.143 -1.747 -2.026 1.00 0.00 C ATOM 0 H THR A 58 -9.540 2.299 -2.398 1.00 0.00 H new ATOM 0 HA THR A 58 -8.101 0.247 -0.954 1.00 0.00 H new ATOM 0 HB THR A 58 -9.364 -0.210 -3.571 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.373 -0.642 -2.395 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.890 -2.419 -2.449 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.151 -2.048 -2.363 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.186 -1.796 -0.938 1.00 0.00 H new ATOM 959 N VAL A 59 -6.282 -0.158 -2.787 1.00 0.00 N ATOM 960 CA VAL A 59 -5.148 -0.235 -3.655 1.00 0.00 C ATOM 961 C VAL A 59 -4.862 -1.662 -3.973 1.00 0.00 C ATOM 962 O VAL A 59 -5.266 -2.555 -3.231 1.00 0.00 O ATOM 963 CB VAL A 59 -3.921 0.405 -3.073 1.00 0.00 C ATOM 964 CG1 VAL A 59 -4.033 1.936 -3.158 1.00 0.00 C ATOM 965 CG2 VAL A 59 -3.675 -0.051 -1.625 1.00 0.00 C ATOM 0 H VAL A 59 -6.267 -0.874 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.399 0.318 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.061 0.083 -3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.138 2.390 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.132 2.236 -4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.908 2.268 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.778 0.434 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.530 0.222 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.542 -1.133 -1.602 1.00 0.00 H new ATOM 975 N GLU A 60 -4.162 -1.919 -5.093 1.00 0.00 N ATOM 976 CA GLU A 60 -3.642 -3.199 -5.461 1.00 0.00 C ATOM 977 C GLU A 60 -2.180 -3.297 -5.189 1.00 0.00 C ATOM 978 O GLU A 60 -1.437 -2.333 -5.371 1.00 0.00 O ATOM 979 CB GLU A 60 -3.787 -3.573 -6.946 1.00 0.00 C ATOM 980 CG GLU A 60 -5.207 -3.641 -7.511 1.00 0.00 C ATOM 981 CD GLU A 60 -5.223 -4.012 -8.988 1.00 0.00 C ATOM 982 OE1 GLU A 60 -4.579 -3.315 -9.816 1.00 0.00 O ATOM 983 OE2 GLU A 60 -5.909 -5.001 -9.359 1.00 0.00 O ATOM 0 H GLU A 60 -3.948 -1.194 -5.778 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.245 -3.875 -4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.223 -2.849 -7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.315 -4.544 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.785 -4.374 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.696 -2.677 -7.375 1.00 0.00 H new ATOM 990 N PHE A 61 -1.748 -4.489 -4.742 1.00 0.00 N ATOM 991 CA PHE A 61 -0.395 -4.761 -4.364 1.00 0.00 C ATOM 992 C PHE A 61 -0.137 -6.229 -4.349 1.00 0.00 C ATOM 993 O PHE A 61 -1.006 -7.031 -4.688 1.00 0.00 O ATOM 994 CB PHE A 61 -0.043 -4.124 -3.010 1.00 0.00 C ATOM 995 CG PHE A 61 -1.047 -4.426 -1.950 1.00 0.00 C ATOM 996 CD1 PHE A 61 -2.163 -3.632 -1.821 1.00 0.00 C ATOM 997 CD2 PHE A 61 -0.897 -5.497 -1.102 1.00 0.00 C ATOM 998 CE1 PHE A 61 -3.127 -3.914 -0.882 1.00 0.00 C ATOM 999 CE2 PHE A 61 -1.841 -5.778 -0.143 1.00 0.00 C ATOM 1000 CZ PHE A 61 -2.961 -4.988 -0.038 1.00 0.00 C ATOM 0 H PHE A 61 -2.364 -5.295 -4.640 1.00 0.00 H new ATOM 0 HA PHE A 61 0.254 -4.307 -5.113 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.936 -4.481 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.036 -3.044 -3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.284 -2.775 -2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.024 -6.127 -1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.010 -3.296 -0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.703 -6.616 0.525 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.711 -5.210 0.707 1.00 0.00 H new ATOM 1010 N ASP A 62 1.070 -6.660 -3.943 1.00 0.00 N ATOM 1011 CA ASP A 62 1.377 -8.025 -3.651 1.00 0.00 C ATOM 1012 C ASP A 62 1.661 -8.134 -2.192 1.00 0.00 C ATOM 1013 O ASP A 62 2.175 -7.182 -1.607 1.00 0.00 O ATOM 1014 CB ASP A 62 2.604 -8.475 -4.464 1.00 0.00 C ATOM 1015 CG ASP A 62 2.474 -8.432 -5.979 1.00 0.00 C ATOM 1016 OD1 ASP A 62 1.344 -8.350 -6.534 1.00 0.00 O ATOM 1017 OD2 ASP A 62 3.534 -8.530 -6.652 1.00 0.00 O ATOM 0 H ASP A 62 1.864 -6.033 -3.813 1.00 0.00 H new ATOM 0 HA ASP A 62 0.537 -8.666 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.450 -7.850 -4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.849 -9.496 -4.173 1.00 0.00 H new ATOM 1022 N VAL A 63 1.368 -9.251 -1.503 1.00 0.00 N ATOM 1023 CA VAL A 63 1.643 -9.440 -0.112 1.00 0.00 C ATOM 1024 C VAL A 63 2.871 -10.268 0.053 1.00 0.00 C ATOM 1025 O VAL A 63 2.798 -11.496 0.081 1.00 0.00 O ATOM 1026 CB VAL A 63 0.523 -10.155 0.586 1.00 0.00 C ATOM 1027 CG1 VAL A 63 0.725 -10.292 2.104 1.00 0.00 C ATOM 1028 CG2 VAL A 63 -0.805 -9.405 0.389 1.00 0.00 C ATOM 0 H VAL A 63 0.919 -10.059 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 63 1.769 -8.449 0.325 1.00 0.00 H new ATOM 0 HB VAL A 63 0.507 -11.149 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.125 -10.819 2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.639 -10.853 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.804 -9.301 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.604 -9.939 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.719 -8.399 0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.034 -9.344 -0.675 1.00 0.00 H new ATOM 1038 N VAL A 64 4.089 -9.698 0.042 1.00 0.00 N ATOM 1039 CA VAL A 64 5.251 -10.465 -0.283 1.00 0.00 C ATOM 1040 C VAL A 64 6.433 -10.237 0.594 1.00 0.00 C ATOM 1041 O VAL A 64 7.383 -9.527 0.266 1.00 0.00 O ATOM 1042 CB VAL A 64 5.588 -10.210 -1.722 1.00 0.00 C ATOM 1043 CG1 VAL A 64 4.612 -11.005 -2.606 1.00 0.00 C ATOM 1044 CG2 VAL A 64 5.531 -8.727 -2.125 1.00 0.00 C ATOM 0 H VAL A 64 4.269 -8.717 0.256 1.00 0.00 H new ATOM 0 HA VAL A 64 5.001 -11.511 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 64 6.620 -10.530 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.846 -10.829 -3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.706 -12.069 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.591 -10.682 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.787 -8.626 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.525 -8.343 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.241 -8.159 -1.523 1.00 0.00 H new ATOM 1054 N GLU A 65 6.515 -10.944 1.735 1.00 0.00 N ATOM 1055 CA GLU A 65 7.692 -10.953 2.546 1.00 0.00 C ATOM 1056 C GLU A 65 7.940 -12.280 3.180 1.00 0.00 C ATOM 1057 O GLU A 65 8.809 -13.027 2.735 1.00 0.00 O ATOM 1058 CB GLU A 65 7.695 -9.845 3.613 1.00 0.00 C ATOM 1059 CG GLU A 65 8.970 -9.789 4.456 1.00 0.00 C ATOM 1060 CD GLU A 65 8.907 -8.818 5.627 1.00 0.00 C ATOM 1061 OE1 GLU A 65 7.994 -8.980 6.480 1.00 0.00 O ATOM 1062 OE2 GLU A 65 9.789 -7.926 5.739 1.00 0.00 O ATOM 0 H GLU A 65 5.754 -11.517 2.100 1.00 0.00 H new ATOM 0 HA GLU A 65 8.511 -10.749 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.556 -8.882 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.841 -9.991 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.182 -10.787 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.805 -9.510 3.813 1.00 0.00 H new ATOM 1069 N GLY A 66 7.216 -12.626 4.259 1.00 0.00 N ATOM 1070 CA GLY A 66 7.295 -13.901 4.903 1.00 0.00 C ATOM 1071 C GLY A 66 7.960 -13.879 6.237 1.00 0.00 C ATOM 1072 O GLY A 66 7.438 -14.424 7.208 1.00 0.00 O ATOM 0 H GLY A 66 6.549 -11.993 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.287 -14.298 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.835 -14.589 4.253 1.00 0.00 H new ATOM 1076 N GLU A 67 9.148 -13.258 6.360 1.00 0.00 N ATOM 1077 CA GLU A 67 9.975 -13.346 7.522 1.00 0.00 C ATOM 1078 C GLU A 67 9.399 -12.670 8.719 1.00 0.00 C ATOM 1079 O GLU A 67 9.190 -13.309 9.749 1.00 0.00 O ATOM 1080 CB GLU A 67 11.403 -12.869 7.209 1.00 0.00 C ATOM 1081 CG GLU A 67 11.505 -11.549 6.441 1.00 0.00 C ATOM 1082 CD GLU A 67 12.920 -11.024 6.248 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.616 -11.476 5.301 1.00 0.00 O ATOM 1084 OE2 GLU A 67 13.314 -10.081 6.986 1.00 0.00 O ATOM 0 H GLU A 67 9.546 -12.674 5.624 1.00 0.00 H new ATOM 0 HA GLU A 67 10.022 -14.400 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.946 -12.765 8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.908 -13.644 6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.046 -11.680 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.922 -10.794 6.968 1.00 0.00 H new ATOM 1091 N LYS A 68 9.041 -11.376 8.635 1.00 0.00 N ATOM 1092 CA LYS A 68 8.353 -10.687 9.682 1.00 0.00 C ATOM 1093 C LYS A 68 6.883 -10.777 9.460 1.00 0.00 C ATOM 1094 O LYS A 68 6.141 -11.348 10.258 1.00 0.00 O ATOM 1095 CB LYS A 68 8.837 -9.234 9.815 1.00 0.00 C ATOM 1096 CG LYS A 68 10.351 -9.129 10.011 1.00 0.00 C ATOM 1097 CD LYS A 68 10.750 -7.749 10.536 1.00 0.00 C ATOM 1098 CE LYS A 68 12.244 -7.432 10.443 1.00 0.00 C ATOM 1099 NZ LYS A 68 13.075 -8.427 11.156 1.00 0.00 N ATOM 0 H LYS A 68 9.235 -10.795 7.819 1.00 0.00 H new ATOM 0 HA LYS A 68 8.581 -11.169 10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.551 -8.678 8.922 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.332 -8.764 10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.683 -9.896 10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.856 -9.320 9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.197 -6.991 9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.441 -7.669 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.541 -7.398 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.430 -6.442 10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.076 -8.152 11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.788 -8.467 12.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.946 -9.363 10.721 1.00 0.00 H new ATOM 1113 N GLY A 69 6.395 -10.277 8.311 1.00 0.00 N ATOM 1114 CA GLY A 69 5.022 -10.401 7.930 1.00 0.00 C ATOM 1115 C GLY A 69 4.867 -10.200 6.462 1.00 0.00 C ATOM 1116 O GLY A 69 5.182 -11.078 5.660 1.00 0.00 O ATOM 0 H GLY A 69 6.967 -9.775 7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.649 -11.386 8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.421 -9.668 8.469 1.00 0.00 H new ATOM 1120 N ALA A 70 4.372 -9.022 6.040 1.00 0.00 N ATOM 1121 CA ALA A 70 4.223 -8.688 4.658 1.00 0.00 C ATOM 1122 C ALA A 70 4.825 -7.372 4.302 1.00 0.00 C ATOM 1123 O ALA A 70 4.866 -6.435 5.098 1.00 0.00 O ATOM 1124 CB ALA A 70 2.722 -8.672 4.321 1.00 0.00 C ATOM 0 H ALA A 70 4.068 -8.284 6.675 1.00 0.00 H new ATOM 0 HA ALA A 70 4.756 -9.441 4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.588 -8.419 3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.295 -9.656 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.218 -7.930 4.940 1.00 0.00 H new ATOM 1130 N GLU A 71 5.292 -7.252 3.047 1.00 0.00 N ATOM 1131 CA GLU A 71 5.560 -6.010 2.393 1.00 0.00 C ATOM 1132 C GLU A 71 4.902 -6.014 1.056 1.00 0.00 C ATOM 1133 O GLU A 71 4.182 -6.961 0.739 1.00 0.00 O ATOM 1134 CB GLU A 71 7.069 -5.735 2.276 1.00 0.00 C ATOM 1135 CG GLU A 71 7.911 -6.502 1.256 1.00 0.00 C ATOM 1136 CD GLU A 71 9.352 -6.014 1.213 1.00 0.00 C ATOM 1137 OE1 GLU A 71 9.570 -4.823 0.866 1.00 0.00 O ATOM 1138 OE2 GLU A 71 10.292 -6.810 1.480 1.00 0.00 O ATOM 0 H GLU A 71 5.492 -8.062 2.460 1.00 0.00 H new ATOM 0 HA GLU A 71 5.149 -5.200 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.189 -4.673 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.508 -5.914 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.897 -7.564 1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.465 -6.397 0.267 1.00 0.00 H new ATOM 1145 N ALA A 72 5.064 -4.949 0.250 1.00 0.00 N ATOM 1146 CA ALA A 72 4.296 -4.738 -0.937 1.00 0.00 C ATOM 1147 C ALA A 72 5.132 -4.157 -2.026 1.00 0.00 C ATOM 1148 O ALA A 72 6.154 -3.517 -1.790 1.00 0.00 O ATOM 1149 CB ALA A 72 3.119 -3.795 -0.628 1.00 0.00 C ATOM 0 H ALA A 72 5.748 -4.214 0.429 1.00 0.00 H new ATOM 0 HA ALA A 72 3.919 -5.703 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.534 -3.635 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.486 -4.242 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.503 -2.840 -0.270 1.00 0.00 H new ATOM 1155 N ALA A 73 4.704 -4.418 -3.275 1.00 0.00 N ATOM 1156 CA ALA A 73 5.410 -4.054 -4.464 1.00 0.00 C ATOM 1157 C ALA A 73 4.437 -3.632 -5.510 1.00 0.00 C ATOM 1158 O ALA A 73 3.344 -4.187 -5.614 1.00 0.00 O ATOM 1159 CB ALA A 73 6.231 -5.250 -4.975 1.00 0.00 C ATOM 0 H ALA A 73 3.827 -4.904 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 73 6.086 -3.229 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.766 -4.964 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.947 -5.552 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.563 -6.082 -5.196 1.00 0.00 H new ATOM 1165 N ASN A 74 4.821 -2.626 -6.316 1.00 0.00 N ATOM 1166 CA ASN A 74 4.104 -2.050 -7.412 1.00 0.00 C ATOM 1167 C ASN A 74 2.722 -1.590 -7.095 1.00 0.00 C ATOM 1168 O ASN A 74 1.742 -2.040 -7.685 1.00 0.00 O ATOM 1169 CB ASN A 74 4.141 -2.944 -8.662 1.00 0.00 C ATOM 1170 CG ASN A 74 5.557 -3.131 -9.189 1.00 0.00 C ATOM 1171 OD1 ASN A 74 6.500 -2.405 -8.878 1.00 0.00 O ATOM 1172 ND2 ASN A 74 5.716 -4.136 -10.092 1.00 0.00 N ATOM 0 H ASN A 74 5.725 -2.172 -6.185 1.00 0.00 H new ATOM 0 HA ASN A 74 4.649 -1.133 -7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.711 -3.917 -8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.520 -2.503 -9.441 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.627 -4.296 -10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.924 -4.729 -10.339 1.00 0.00 H new ATOM 1179 N VAL A 75 2.585 -0.649 -6.143 1.00 0.00 N ATOM 1180 CA VAL A 75 1.334 -0.347 -5.521 1.00 0.00 C ATOM 1181 C VAL A 75 0.619 0.754 -6.225 1.00 0.00 C ATOM 1182 O VAL A 75 1.174 1.822 -6.483 1.00 0.00 O ATOM 1183 CB VAL A 75 1.512 -0.017 -4.067 1.00 0.00 C ATOM 1184 CG1 VAL A 75 0.150 0.094 -3.363 1.00 0.00 C ATOM 1185 CG2 VAL A 75 2.358 -1.117 -3.403 1.00 0.00 C ATOM 0 H VAL A 75 3.362 -0.085 -5.798 1.00 0.00 H new ATOM 0 HA VAL A 75 0.718 -1.243 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 75 2.019 0.944 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.303 0.334 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.439 0.882 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.381 -0.854 -3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.492 -0.885 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.850 -2.076 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.332 -1.170 -3.889 1.00 0.00 H new ATOM 1195 N THR A 76 -0.655 0.529 -6.590 1.00 0.00 N ATOM 1196 CA THR A 76 -1.418 1.470 -7.349 1.00 0.00 C ATOM 1197 C THR A 76 -2.876 1.278 -7.105 1.00 0.00 C ATOM 1198 O THR A 76 -3.308 0.432 -6.323 1.00 0.00 O ATOM 1199 CB THR A 76 -1.085 1.434 -8.811 1.00 0.00 C ATOM 1200 OG1 THR A 76 -1.676 2.465 -9.588 1.00 0.00 O ATOM 1201 CG2 THR A 76 -1.438 0.087 -9.463 1.00 0.00 C ATOM 0 H THR A 76 -1.165 -0.322 -6.354 1.00 0.00 H new ATOM 0 HA THR A 76 -1.145 2.467 -7.005 1.00 0.00 H new ATOM 0 HB THR A 76 -0.006 1.591 -8.815 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.405 2.365 -10.524 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.177 0.115 -10.521 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.881 -0.712 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.507 -0.099 -9.358 1.00 0.00 H new ATOM 1209 N GLY A 77 -3.705 2.099 -7.775 1.00 0.00 N ATOM 1210 CA GLY A 77 -5.129 2.134 -7.649 1.00 0.00 C ATOM 1211 C GLY A 77 -5.794 1.153 -8.552 1.00 0.00 C ATOM 1212 O GLY A 77 -5.248 0.919 -9.629 1.00 0.00 O ATOM 0 H GLY A 77 -3.357 2.782 -8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.407 1.922 -6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.488 3.138 -7.876 1.00 0.00 H new