USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 704 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 Set 1.1: A 67 GLN : amide:sc= -8.1! C(o=-13!,f=-15!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -5.3! C(o=-13!,f=-18!) USER MOD Set 2.1: A 7 TYR OH : rot 90:sc= -0.362 USER MOD Set 2.2: A 12 HIS : no HE2:sc= -3.41! C(o=-13!,f=-11!) USER MOD Set 2.3: A 37 MET CE :methyl -131:sc= -9.06! (180deg=-9.61!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -4.31! (180deg=-5.25!) USER MOD Single : A 3 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0361) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.244 X(o=0.24,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.691 X(o=-0.69,f=-0.36) USER MOD Single : A 35 ASN : amide:sc= -2.67 K(o=-2.7,f=-6.5!) USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00909) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -133:sc= -0.0164 (180deg=-1.36) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.947 0.014 -4.649 1.00 0.00 N ATOM 2 CA MET A 1 -10.572 -0.442 -4.987 1.00 0.00 C ATOM 3 C MET A 1 -9.503 0.263 -4.173 1.00 0.00 C ATOM 4 O MET A 1 -9.207 1.434 -4.393 1.00 0.00 O ATOM 5 CB MET A 1 -10.329 -0.194 -6.469 1.00 0.00 C ATOM 6 CG MET A 1 -9.173 -0.989 -7.047 1.00 0.00 C ATOM 7 SD MET A 1 -8.928 -0.676 -8.806 1.00 0.00 S ATOM 8 CE MET A 1 -9.653 -2.151 -9.516 1.00 0.00 C ATOM 0 H1 MET A 1 -12.641 -0.641 -5.062 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.062 0.033 -3.616 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.100 0.969 -5.032 1.00 0.00 H new ATOM 0 HA MET A 1 -10.504 -1.503 -4.748 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.236 -0.438 -7.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.139 0.868 -6.623 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.260 -0.740 -6.507 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.355 -2.053 -6.893 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.578 -2.106 -10.603 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.121 -3.030 -9.151 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.702 -2.216 -9.227 1.00 0.00 H new ATOM 20 N PHE A 2 -8.904 -0.474 -3.249 1.00 0.00 N ATOM 21 CA PHE A 2 -7.843 0.069 -2.418 1.00 0.00 C ATOM 22 C PHE A 2 -6.555 0.173 -3.221 1.00 0.00 C ATOM 23 O PHE A 2 -6.299 -0.643 -4.105 1.00 0.00 O ATOM 24 CB PHE A 2 -7.636 -0.808 -1.183 1.00 0.00 C ATOM 25 CG PHE A 2 -8.775 -0.733 -0.210 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.791 0.234 0.782 1.00 0.00 C ATOM 27 CD2 PHE A 2 -9.832 -1.624 -0.289 1.00 0.00 C ATOM 28 CE1 PHE A 2 -9.840 0.312 1.676 1.00 0.00 C ATOM 29 CE2 PHE A 2 -10.884 -1.554 0.603 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.889 -0.586 1.587 1.00 0.00 C ATOM 0 H PHE A 2 -9.135 -1.449 -3.057 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.129 1.067 -2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.503 -1.843 -1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.717 -0.507 -0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.973 0.935 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -9.834 -2.383 -1.057 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -9.842 1.072 2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -11.702 -2.256 0.531 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.710 -0.530 2.286 1.00 0.00 H new ATOM 40 N LYS A 3 -5.755 1.185 -2.924 1.00 0.00 N ATOM 41 CA LYS A 3 -4.504 1.390 -3.634 1.00 0.00 C ATOM 42 C LYS A 3 -3.319 1.108 -2.727 1.00 0.00 C ATOM 43 O LYS A 3 -3.176 1.721 -1.672 1.00 0.00 O ATOM 44 CB LYS A 3 -4.425 2.823 -4.163 1.00 0.00 C ATOM 45 CG LYS A 3 -5.071 3.006 -5.526 1.00 0.00 C ATOM 46 CD LYS A 3 -6.584 3.111 -5.414 1.00 0.00 C ATOM 47 CE LYS A 3 -7.182 3.839 -6.606 1.00 0.00 C ATOM 48 NZ LYS A 3 -6.962 5.309 -6.528 1.00 0.00 N ATOM 0 H LYS A 3 -5.949 1.875 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.471 0.697 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.907 3.492 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.378 3.122 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.677 3.905 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.810 2.166 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.015 2.112 -5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.846 3.637 -4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.740 3.454 -7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.251 3.634 -6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.512 5.782 -7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.269 5.657 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.951 5.516 -6.659 1.00 0.00 H new ATOM 62 N VAL A 4 -2.470 0.173 -3.135 1.00 0.00 N ATOM 63 CA VAL A 4 -1.304 -0.170 -2.331 1.00 0.00 C ATOM 64 C VAL A 4 0.003 0.194 -3.023 1.00 0.00 C ATOM 65 O VAL A 4 0.214 -0.115 -4.196 1.00 0.00 O ATOM 66 CB VAL A 4 -1.258 -1.666 -1.965 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.069 -2.016 -1.309 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.398 -2.021 -1.037 1.00 0.00 C ATOM 0 H VAL A 4 -2.564 -0.354 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.408 0.419 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.359 -2.242 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.082 -3.077 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.885 -1.796 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.192 -1.427 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.349 -3.081 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.321 -1.431 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.347 -1.807 -1.528 1.00 0.00 H new ATOM 78 N TYR A 5 0.887 0.821 -2.259 1.00 0.00 N ATOM 79 CA TYR A 5 2.198 1.204 -2.745 1.00 0.00 C ATOM 80 C TYR A 5 3.257 0.367 -2.040 1.00 0.00 C ATOM 81 O TYR A 5 3.605 0.639 -0.892 1.00 0.00 O ATOM 82 CB TYR A 5 2.457 2.685 -2.471 1.00 0.00 C ATOM 83 CG TYR A 5 1.596 3.623 -3.280 1.00 0.00 C ATOM 84 CD1 TYR A 5 1.311 3.365 -4.612 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.081 4.778 -2.710 1.00 0.00 C ATOM 86 CE1 TYR A 5 0.535 4.232 -5.356 1.00 0.00 C ATOM 87 CE2 TYR A 5 0.305 5.651 -3.447 1.00 0.00 C ATOM 88 CZ TYR A 5 0.036 5.374 -4.769 1.00 0.00 C ATOM 89 OH TYR A 5 -0.736 6.242 -5.507 1.00 0.00 O ATOM 0 H TYR A 5 0.712 1.076 -1.287 1.00 0.00 H new ATOM 0 HA TYR A 5 2.241 1.033 -3.821 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.292 2.881 -1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.505 2.903 -2.677 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.702 2.471 -5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.290 4.998 -1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.321 4.016 -6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.089 6.546 -2.989 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.009 6.996 -4.944 1.00 0.00 H new ATOM 99 N GLY A 6 3.755 -0.661 -2.714 1.00 0.00 N ATOM 100 CA GLY A 6 4.757 -1.516 -2.110 1.00 0.00 C ATOM 101 C GLY A 6 5.509 -2.341 -3.134 1.00 0.00 C ATOM 102 O GLY A 6 5.823 -1.861 -4.224 1.00 0.00 O ATOM 0 H GLY A 6 3.485 -0.917 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.464 -0.903 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.277 -2.182 -1.393 1.00 0.00 H new ATOM 106 N TYR A 7 5.802 -3.584 -2.776 1.00 0.00 N ATOM 107 CA TYR A 7 6.519 -4.490 -3.648 1.00 0.00 C ATOM 108 C TYR A 7 5.646 -5.693 -4.001 1.00 0.00 C ATOM 109 O TYR A 7 4.679 -5.986 -3.300 1.00 0.00 O ATOM 110 CB TYR A 7 7.801 -4.928 -2.960 1.00 0.00 C ATOM 111 CG TYR A 7 8.642 -3.749 -2.544 1.00 0.00 C ATOM 112 CD1 TYR A 7 8.360 -3.064 -1.372 1.00 0.00 C ATOM 113 CD2 TYR A 7 9.689 -3.293 -3.337 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.102 -1.965 -0.994 1.00 0.00 C ATOM 115 CE2 TYR A 7 10.422 -2.197 -2.967 1.00 0.00 C ATOM 116 CZ TYR A 7 10.131 -1.535 -1.797 1.00 0.00 C ATOM 117 OH TYR A 7 10.872 -0.434 -1.431 1.00 0.00 O ATOM 0 H TYR A 7 5.548 -3.987 -1.874 1.00 0.00 H new ATOM 0 HA TYR A 7 6.771 -3.982 -4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.557 -5.528 -2.083 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.375 -5.565 -3.632 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.546 -3.397 -0.745 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.927 -3.809 -4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.876 -1.446 -0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 7 11.230 -1.852 -3.595 1.00 0.00 H new ATOM 0 HH TYR A 7 11.634 -0.719 -0.885 1.00 0.00 H new ATOM 127 N ASP A 8 5.972 -6.379 -5.093 1.00 0.00 N ATOM 128 CA ASP A 8 5.184 -7.533 -5.522 1.00 0.00 C ATOM 129 C ASP A 8 5.905 -8.852 -5.253 1.00 0.00 C ATOM 130 O ASP A 8 5.549 -9.885 -5.819 1.00 0.00 O ATOM 131 CB ASP A 8 4.853 -7.419 -7.011 1.00 0.00 C ATOM 132 CG ASP A 8 3.602 -6.599 -7.262 1.00 0.00 C ATOM 133 OD1 ASP A 8 2.492 -7.121 -7.029 1.00 0.00 O ATOM 134 OD2 ASP A 8 3.734 -5.434 -7.694 1.00 0.00 O ATOM 0 H ASP A 8 6.768 -6.160 -5.692 1.00 0.00 H new ATOM 0 HA ASP A 8 4.263 -7.533 -4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.694 -6.964 -7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.720 -8.417 -7.429 1.00 0.00 H new ATOM 139 N SER A 9 6.919 -8.819 -4.390 1.00 0.00 N ATOM 140 CA SER A 9 7.679 -10.024 -4.057 1.00 0.00 C ATOM 141 C SER A 9 8.597 -10.447 -5.207 1.00 0.00 C ATOM 142 O SER A 9 9.342 -11.418 -5.085 1.00 0.00 O ATOM 143 CB SER A 9 6.732 -11.173 -3.700 1.00 0.00 C ATOM 144 OG SER A 9 7.326 -12.050 -2.757 1.00 0.00 O ATOM 0 H SER A 9 7.233 -7.975 -3.910 1.00 0.00 H new ATOM 0 HA SER A 9 8.302 -9.789 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.804 -10.771 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.471 -11.727 -4.602 1.00 0.00 H new ATOM 0 HG SER A 9 6.701 -12.774 -2.545 1.00 0.00 H new ATOM 150 N ASN A 10 8.548 -9.711 -6.318 1.00 0.00 N ATOM 151 CA ASN A 10 9.382 -10.012 -7.477 1.00 0.00 C ATOM 152 C ASN A 10 10.759 -9.373 -7.325 1.00 0.00 C ATOM 153 O ASN A 10 11.787 -10.012 -7.552 1.00 0.00 O ATOM 154 CB ASN A 10 8.719 -9.493 -8.754 1.00 0.00 C ATOM 155 CG ASN A 10 9.021 -10.356 -9.961 1.00 0.00 C ATOM 156 OD1 ASN A 10 10.153 -10.388 -10.446 1.00 0.00 O ATOM 157 ND2 ASN A 10 8.010 -11.061 -10.454 1.00 0.00 N ATOM 0 H ASN A 10 7.938 -8.902 -6.438 1.00 0.00 H new ATOM 0 HA ASN A 10 9.497 -11.094 -7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.640 -9.447 -8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.058 -8.475 -8.946 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.154 -11.660 -11.267 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.089 -11.004 -10.020 1.00 0.00 H new ATOM 164 N ILE A 11 10.760 -8.102 -6.939 1.00 0.00 N ATOM 165 CA ILE A 11 11.996 -7.350 -6.752 1.00 0.00 C ATOM 166 C ILE A 11 12.238 -7.029 -5.290 1.00 0.00 C ATOM 167 O ILE A 11 13.215 -6.356 -4.961 1.00 0.00 O ATOM 168 CB ILE A 11 11.970 -6.002 -7.507 1.00 0.00 C ATOM 169 CG1 ILE A 11 11.176 -6.111 -8.807 1.00 0.00 C ATOM 170 CG2 ILE A 11 13.383 -5.509 -7.778 1.00 0.00 C ATOM 171 CD1 ILE A 11 9.837 -5.410 -8.746 1.00 0.00 C ATOM 0 H ILE A 11 9.912 -7.567 -6.748 1.00 0.00 H new ATOM 0 HA ILE A 11 12.788 -7.989 -7.143 1.00 0.00 H new ATOM 0 HB ILE A 11 11.469 -5.273 -6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.764 -5.688 -9.621 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.018 -7.164 -9.042 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.341 -4.559 -8.310 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.908 -5.372 -6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.914 -6.242 -8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.323 -5.525 -9.700 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.232 -5.849 -7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.990 -4.350 -8.541 1.00 0.00 H new ATOM 183 N HIS A 12 11.344 -7.463 -4.405 1.00 0.00 N ATOM 184 CA HIS A 12 11.517 -7.134 -3.007 1.00 0.00 C ATOM 185 C HIS A 12 10.590 -7.978 -2.145 1.00 0.00 C ATOM 186 O HIS A 12 9.414 -8.155 -2.463 1.00 0.00 O ATOM 187 CB HIS A 12 11.189 -5.661 -2.852 1.00 0.00 C ATOM 188 CG HIS A 12 11.924 -4.937 -1.781 1.00 0.00 C ATOM 189 ND1 HIS A 12 11.658 -5.003 -0.441 1.00 0.00 N ATOM 190 CD2 HIS A 12 12.961 -4.093 -1.916 1.00 0.00 C ATOM 191 CE1 HIS A 12 12.540 -4.216 0.192 1.00 0.00 C ATOM 192 NE2 HIS A 12 13.356 -3.637 -0.663 1.00 0.00 N ATOM 0 H HIS A 12 10.522 -8.024 -4.627 1.00 0.00 H new ATOM 0 HA HIS A 12 12.538 -7.338 -2.685 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.388 -5.163 -3.801 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.120 -5.566 -2.660 1.00 0.00 H new ATOM 0 HD1 HIS A 12 10.920 -5.553 -0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.418 -3.812 -2.854 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.576 -4.076 1.262 1.00 0.00 H new ATOM 200 N LYS A 13 11.130 -8.504 -1.067 1.00 0.00 N ATOM 201 CA LYS A 13 10.355 -9.354 -0.161 1.00 0.00 C ATOM 202 C LYS A 13 9.490 -8.532 0.793 1.00 0.00 C ATOM 203 O LYS A 13 9.691 -7.328 0.957 1.00 0.00 O ATOM 204 CB LYS A 13 11.280 -10.279 0.635 1.00 0.00 C ATOM 205 CG LYS A 13 10.702 -11.676 0.846 1.00 0.00 C ATOM 206 CD LYS A 13 10.144 -11.844 2.250 1.00 0.00 C ATOM 207 CE LYS A 13 8.776 -12.511 2.234 1.00 0.00 C ATOM 208 NZ LYS A 13 8.867 -13.961 1.900 1.00 0.00 N ATOM 0 H LYS A 13 12.101 -8.364 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 13 9.689 -9.958 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.234 -10.363 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.485 -9.828 1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.913 -11.858 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.477 -12.422 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.833 -12.441 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.068 -10.869 2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.303 -12.392 3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.137 -12.011 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.914 -14.378 1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.295 -14.074 0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.456 -14.444 2.608 1.00 0.00 H new ATOM 222 N CYS A 14 8.526 -9.201 1.423 1.00 0.00 N ATOM 223 CA CYS A 14 7.622 -8.554 2.368 1.00 0.00 C ATOM 224 C CYS A 14 6.584 -9.543 2.896 1.00 0.00 C ATOM 225 O CYS A 14 5.876 -10.186 2.122 1.00 0.00 O ATOM 226 CB CYS A 14 6.914 -7.366 1.712 1.00 0.00 C ATOM 227 SG CYS A 14 6.203 -7.728 0.072 1.00 0.00 S ATOM 0 H CYS A 14 8.352 -10.198 1.294 1.00 0.00 H new ATOM 0 HA CYS A 14 8.220 -8.194 3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.118 -7.023 2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.623 -6.544 1.614 1.00 0.00 H new ATOM 232 N VAL A 15 6.498 -9.656 4.217 1.00 0.00 N ATOM 233 CA VAL A 15 5.543 -10.560 4.853 1.00 0.00 C ATOM 234 C VAL A 15 4.225 -9.848 5.150 1.00 0.00 C ATOM 235 O VAL A 15 3.161 -10.467 5.156 1.00 0.00 O ATOM 236 CB VAL A 15 6.105 -11.142 6.163 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.162 -12.195 5.871 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.675 -10.035 7.035 1.00 0.00 C ATOM 0 H VAL A 15 7.079 -9.132 4.871 1.00 0.00 H new ATOM 0 HA VAL A 15 5.364 -11.374 4.151 1.00 0.00 H new ATOM 0 HB VAL A 15 5.290 -11.620 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.547 -12.594 6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.720 -13.002 5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.978 -11.744 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.068 -10.464 7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.478 -9.527 6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.889 -9.319 7.274 1.00 0.00 H new ATOM 248 N TYR A 16 4.306 -8.545 5.405 1.00 0.00 N ATOM 249 CA TYR A 16 3.122 -7.749 5.710 1.00 0.00 C ATOM 250 C TYR A 16 2.327 -7.428 4.446 1.00 0.00 C ATOM 251 O TYR A 16 1.135 -7.128 4.512 1.00 0.00 O ATOM 252 CB TYR A 16 3.526 -6.451 6.413 1.00 0.00 C ATOM 253 CG TYR A 16 3.375 -6.503 7.915 1.00 0.00 C ATOM 254 CD1 TYR A 16 4.125 -7.391 8.676 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.483 -5.667 8.572 1.00 0.00 C ATOM 256 CE1 TYR A 16 3.989 -7.443 10.050 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.341 -5.712 9.945 1.00 0.00 C ATOM 258 CZ TYR A 16 3.096 -6.603 10.680 1.00 0.00 C ATOM 259 OH TYR A 16 2.957 -6.652 12.049 1.00 0.00 O ATOM 0 H TYR A 16 5.180 -8.018 5.406 1.00 0.00 H new ATOM 0 HA TYR A 16 2.486 -8.337 6.372 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.564 -6.223 6.168 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.920 -5.633 6.024 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.825 -8.051 8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.890 -4.969 8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.580 -8.139 10.628 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.643 -5.054 10.441 1.00 0.00 H new ATOM 0 HH TYR A 16 2.288 -5.995 12.334 1.00 0.00 H new ATOM 269 N CYS A 17 2.993 -7.488 3.297 1.00 0.00 N ATOM 270 CA CYS A 17 2.343 -7.199 2.026 1.00 0.00 C ATOM 271 C CYS A 17 1.403 -8.332 1.623 1.00 0.00 C ATOM 272 O CYS A 17 0.295 -8.091 1.142 1.00 0.00 O ATOM 273 CB CYS A 17 3.386 -6.963 0.931 1.00 0.00 C ATOM 274 SG CYS A 17 4.346 -8.446 0.478 1.00 0.00 S ATOM 0 H CYS A 17 3.980 -7.734 3.221 1.00 0.00 H new ATOM 0 HA CYS A 17 1.752 -6.291 2.149 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.883 -6.584 0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.075 -6.186 1.263 1.00 0.00 H new ATOM 279 N ASP A 18 1.849 -9.567 1.829 1.00 0.00 N ATOM 280 CA ASP A 18 1.048 -10.739 1.487 1.00 0.00 C ATOM 281 C ASP A 18 -0.242 -10.780 2.304 1.00 0.00 C ATOM 282 O ASP A 18 -1.291 -11.188 1.804 1.00 0.00 O ATOM 283 CB ASP A 18 1.853 -12.017 1.726 1.00 0.00 C ATOM 284 CG ASP A 18 1.270 -13.209 0.993 1.00 0.00 C ATOM 285 OD1 ASP A 18 1.591 -13.385 -0.201 1.00 0.00 O ATOM 286 OD2 ASP A 18 0.494 -13.966 1.613 1.00 0.00 O ATOM 0 H ASP A 18 2.761 -9.783 2.231 1.00 0.00 H new ATOM 0 HA ASP A 18 0.785 -10.671 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.882 -11.862 1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.884 -12.230 2.795 1.00 0.00 H new ATOM 291 N ASN A 19 -0.154 -10.363 3.563 1.00 0.00 N ATOM 292 CA ASN A 19 -1.314 -10.357 4.446 1.00 0.00 C ATOM 293 C ASN A 19 -2.383 -9.399 3.934 1.00 0.00 C ATOM 294 O ASN A 19 -3.531 -9.792 3.722 1.00 0.00 O ATOM 295 CB ASN A 19 -0.900 -9.968 5.866 1.00 0.00 C ATOM 296 CG ASN A 19 -0.351 -11.143 6.654 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.945 -11.574 7.642 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.790 -11.666 6.219 1.00 0.00 N ATOM 0 H ASN A 19 0.707 -10.026 3.994 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.732 -11.364 4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.146 -9.182 5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.760 -9.553 6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.208 -12.457 6.709 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.248 -11.277 5.395 1.00 0.00 H new ATOM 305 N ALA A 20 -2.003 -8.140 3.733 1.00 0.00 N ATOM 306 CA ALA A 20 -2.937 -7.132 3.242 1.00 0.00 C ATOM 307 C ALA A 20 -3.610 -7.595 1.954 1.00 0.00 C ATOM 308 O ALA A 20 -4.747 -7.222 1.666 1.00 0.00 O ATOM 309 CB ALA A 20 -2.223 -5.807 3.025 1.00 0.00 C ATOM 0 H ALA A 20 -1.058 -7.795 3.902 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.711 -6.989 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.934 -5.066 2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.796 -5.465 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.427 -5.939 2.293 1.00 0.00 H new ATOM 315 N LYS A 21 -2.908 -8.425 1.187 1.00 0.00 N ATOM 316 CA LYS A 21 -3.448 -8.947 -0.062 1.00 0.00 C ATOM 317 C LYS A 21 -4.697 -9.776 0.213 1.00 0.00 C ATOM 318 O LYS A 21 -5.767 -9.515 -0.340 1.00 0.00 O ATOM 319 CB LYS A 21 -2.401 -9.801 -0.781 1.00 0.00 C ATOM 320 CG LYS A 21 -2.533 -9.781 -2.295 1.00 0.00 C ATOM 321 CD LYS A 21 -2.135 -11.114 -2.906 1.00 0.00 C ATOM 322 CE LYS A 21 -3.343 -12.011 -3.120 1.00 0.00 C ATOM 323 NZ LYS A 21 -2.947 -13.402 -3.476 1.00 0.00 N ATOM 0 H LYS A 21 -1.967 -8.749 1.409 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.714 -8.107 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.407 -9.448 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.482 -10.830 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.562 -9.547 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.906 -8.990 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.634 -10.944 -3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.419 -11.615 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.948 -12.027 -2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.966 -11.597 -3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.800 -13.981 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.391 -13.391 -4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.373 -13.807 -2.709 1.00 0.00 H new ATOM 337 N ARG A 22 -4.553 -10.772 1.084 1.00 0.00 N ATOM 338 CA ARG A 22 -5.669 -11.636 1.449 1.00 0.00 C ATOM 339 C ARG A 22 -6.720 -10.853 2.228 1.00 0.00 C ATOM 340 O ARG A 22 -7.910 -11.160 2.169 1.00 0.00 O ATOM 341 CB ARG A 22 -5.176 -12.821 2.282 1.00 0.00 C ATOM 342 CG ARG A 22 -6.120 -14.012 2.264 1.00 0.00 C ATOM 343 CD ARG A 22 -5.844 -14.926 1.081 1.00 0.00 C ATOM 344 NE ARG A 22 -5.128 -16.135 1.479 1.00 0.00 N ATOM 345 CZ ARG A 22 -5.690 -17.143 2.145 1.00 0.00 C ATOM 346 NH1 ARG A 22 -6.971 -17.089 2.488 1.00 0.00 N ATOM 347 NH2 ARG A 22 -4.967 -18.207 2.469 1.00 0.00 N ATOM 0 H ARG A 22 -3.674 -10.999 1.549 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.123 -12.014 0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.201 -13.135 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.034 -12.496 3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.015 -14.575 3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.151 -13.660 2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.787 -15.202 0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.259 -14.387 0.335 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.141 -16.212 1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.531 -16.273 2.242 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.396 -17.864 2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.982 -18.253 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.396 -18.979 2.979 1.00 0.00 H new ATOM 361 N LEU A 23 -6.270 -9.830 2.950 1.00 0.00 N ATOM 362 CA LEU A 23 -7.165 -8.987 3.735 1.00 0.00 C ATOM 363 C LEU A 23 -8.292 -8.448 2.864 1.00 0.00 C ATOM 364 O LEU A 23 -9.468 -8.563 3.208 1.00 0.00 O ATOM 365 CB LEU A 23 -6.367 -7.835 4.370 1.00 0.00 C ATOM 366 CG LEU A 23 -7.173 -6.598 4.792 1.00 0.00 C ATOM 367 CD1 LEU A 23 -8.508 -6.990 5.402 1.00 0.00 C ATOM 368 CD2 LEU A 23 -6.369 -5.752 5.769 1.00 0.00 C ATOM 0 H LEU A 23 -5.287 -9.565 3.007 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.612 -9.585 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.849 -8.221 5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.601 -7.519 3.662 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.376 -6.008 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.054 -6.092 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.091 -7.551 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.338 -7.609 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.953 -4.878 6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.135 -6.343 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.443 -5.428 5.293 1.00 0.00 H new ATOM 380 N LEU A 24 -7.924 -7.870 1.730 1.00 0.00 N ATOM 381 CA LEU A 24 -8.904 -7.316 0.805 1.00 0.00 C ATOM 382 C LEU A 24 -9.791 -8.420 0.238 1.00 0.00 C ATOM 383 O LEU A 24 -11.018 -8.316 0.254 1.00 0.00 O ATOM 384 CB LEU A 24 -8.199 -6.573 -0.335 1.00 0.00 C ATOM 385 CG LEU A 24 -7.260 -5.423 0.076 1.00 0.00 C ATOM 386 CD1 LEU A 24 -7.614 -4.151 -0.675 1.00 0.00 C ATOM 387 CD2 LEU A 24 -7.297 -5.164 1.575 1.00 0.00 C ATOM 0 H LEU A 24 -6.955 -7.772 1.428 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.531 -6.612 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.621 -7.297 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.960 -6.171 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.247 -5.728 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.940 -3.350 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.515 -4.322 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.641 -3.867 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.620 -4.345 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.311 -4.898 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.986 -6.063 2.107 1.00 0.00 H new ATOM 399 N THR A 25 -9.161 -9.479 -0.262 1.00 0.00 N ATOM 400 CA THR A 25 -9.892 -10.606 -0.832 1.00 0.00 C ATOM 401 C THR A 25 -10.870 -11.188 0.185 1.00 0.00 C ATOM 402 O THR A 25 -12.002 -11.531 -0.154 1.00 0.00 O ATOM 403 CB THR A 25 -8.916 -11.689 -1.298 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.820 -11.114 -1.987 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.552 -12.711 -2.217 1.00 0.00 C ATOM 0 H THR A 25 -8.146 -9.580 -0.284 1.00 0.00 H new ATOM 0 HA THR A 25 -10.460 -10.245 -1.690 1.00 0.00 H new ATOM 0 HB THR A 25 -8.589 -12.194 -0.389 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.207 -11.822 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.807 -13.450 -2.511 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.371 -13.208 -1.697 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.937 -12.211 -3.106 1.00 0.00 H new ATOM 413 N VAL A 26 -10.423 -11.291 1.432 1.00 0.00 N ATOM 414 CA VAL A 26 -11.256 -11.827 2.503 1.00 0.00 C ATOM 415 C VAL A 26 -12.387 -10.861 2.850 1.00 0.00 C ATOM 416 O VAL A 26 -13.495 -11.282 3.184 1.00 0.00 O ATOM 417 CB VAL A 26 -10.422 -12.112 3.770 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.301 -12.636 4.895 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.305 -13.096 3.460 1.00 0.00 C ATOM 0 H VAL A 26 -9.488 -11.010 1.726 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.682 -12.763 2.142 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.976 -11.174 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.688 -12.829 5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.062 -11.894 5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.783 -13.561 4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.726 -13.286 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.734 -14.031 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.653 -12.677 2.694 1.00 0.00 H new ATOM 429 N LYS A 27 -12.098 -9.567 2.767 1.00 0.00 N ATOM 430 CA LYS A 27 -13.091 -8.543 3.070 1.00 0.00 C ATOM 431 C LYS A 27 -14.128 -8.428 1.954 1.00 0.00 C ATOM 432 O LYS A 27 -15.152 -7.763 2.115 1.00 0.00 O ATOM 433 CB LYS A 27 -12.408 -7.191 3.290 1.00 0.00 C ATOM 434 CG LYS A 27 -12.170 -6.861 4.755 1.00 0.00 C ATOM 435 CD LYS A 27 -13.441 -6.370 5.428 1.00 0.00 C ATOM 436 CE LYS A 27 -13.575 -6.921 6.839 1.00 0.00 C ATOM 437 NZ LYS A 27 -14.997 -7.020 7.264 1.00 0.00 N ATOM 0 H LYS A 27 -11.186 -9.203 2.493 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.607 -8.838 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.453 -7.186 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.020 -6.407 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.801 -7.746 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.396 -6.098 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.439 -5.280 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.306 -6.669 4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.112 -7.906 6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.033 -6.278 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.045 -7.400 8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.433 -6.076 7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.509 -7.654 6.618 1.00 0.00 H new ATOM 451 N LYS A 28 -13.859 -9.075 0.821 1.00 0.00 N ATOM 452 CA LYS A 28 -14.770 -9.041 -0.321 1.00 0.00 C ATOM 453 C LYS A 28 -14.765 -7.662 -0.975 1.00 0.00 C ATOM 454 O LYS A 28 -15.797 -7.174 -1.438 1.00 0.00 O ATOM 455 CB LYS A 28 -16.193 -9.421 0.107 1.00 0.00 C ATOM 456 CG LYS A 28 -16.658 -10.757 -0.448 1.00 0.00 C ATOM 457 CD LYS A 28 -17.798 -11.335 0.375 1.00 0.00 C ATOM 458 CE LYS A 28 -17.283 -12.061 1.607 1.00 0.00 C ATOM 459 NZ LYS A 28 -18.388 -12.438 2.533 1.00 0.00 N ATOM 0 H LYS A 28 -13.016 -9.630 0.670 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.422 -9.772 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.240 -9.453 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.882 -8.642 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.981 -10.630 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.824 -11.458 -0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.472 -10.534 0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.378 -12.024 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.744 -12.958 1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.571 -11.425 2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.995 -12.931 3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.887 -11.581 2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.055 -13.066 2.040 1.00 0.00 H new ATOM 473 N GLN A 29 -13.592 -7.045 -1.013 1.00 0.00 N ATOM 474 CA GLN A 29 -13.441 -5.727 -1.610 1.00 0.00 C ATOM 475 C GLN A 29 -12.336 -5.739 -2.662 1.00 0.00 C ATOM 476 O GLN A 29 -11.279 -6.335 -2.453 1.00 0.00 O ATOM 477 CB GLN A 29 -13.126 -4.688 -0.530 1.00 0.00 C ATOM 478 CG GLN A 29 -13.860 -3.369 -0.716 1.00 0.00 C ATOM 479 CD GLN A 29 -15.363 -3.544 -0.832 1.00 0.00 C ATOM 480 OE1 GLN A 29 -16.016 -2.880 -1.637 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.922 -4.437 -0.022 1.00 0.00 N ATOM 0 H GLN A 29 -12.730 -7.438 -0.636 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.380 -5.459 -2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.383 -5.102 0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.053 -4.498 -0.523 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.639 -2.713 0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.486 -2.874 -1.612 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.344 -4.966 0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.929 -4.593 -0.053 1.00 0.00 H new ATOM 490 N PRO A 30 -12.556 -5.073 -3.810 1.00 0.00 N ATOM 491 CA PRO A 30 -11.563 -5.010 -4.885 1.00 0.00 C ATOM 492 C PRO A 30 -10.472 -4.000 -4.575 1.00 0.00 C ATOM 493 O PRO A 30 -10.657 -3.131 -3.727 1.00 0.00 O ATOM 494 CB PRO A 30 -12.390 -4.534 -6.075 1.00 0.00 C ATOM 495 CG PRO A 30 -13.410 -3.649 -5.453 1.00 0.00 C ATOM 496 CD PRO A 30 -13.780 -4.319 -4.156 1.00 0.00 C ATOM 0 HA PRO A 30 -11.053 -5.960 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.779 -3.996 -6.800 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.851 -5.368 -6.604 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.010 -2.650 -5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.280 -3.537 -6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.038 -3.592 -3.386 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.640 -4.978 -4.273 1.00 0.00 H new ATOM 504 N PHE A 31 -9.339 -4.111 -5.260 1.00 0.00 N ATOM 505 CA PHE A 31 -8.231 -3.188 -5.041 1.00 0.00 C ATOM 506 C PHE A 31 -7.247 -3.209 -6.206 1.00 0.00 C ATOM 507 O PHE A 31 -7.338 -4.059 -7.093 1.00 0.00 O ATOM 508 CB PHE A 31 -7.514 -3.522 -3.747 1.00 0.00 C ATOM 509 CG PHE A 31 -7.042 -4.934 -3.708 1.00 0.00 C ATOM 510 CD1 PHE A 31 -7.955 -5.964 -3.608 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.696 -5.236 -3.791 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.539 -7.275 -3.588 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.268 -6.548 -3.775 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.191 -7.572 -3.672 1.00 0.00 C ATOM 0 H PHE A 31 -9.164 -4.825 -5.967 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.647 -2.183 -4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.662 -2.853 -3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.184 -3.342 -2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.009 -5.738 -3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.972 -4.438 -3.869 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.264 -8.071 -3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.214 -6.774 -3.843 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.861 -8.600 -3.657 1.00 0.00 H new ATOM 524 N GLU A 32 -6.294 -2.277 -6.195 1.00 0.00 N ATOM 525 CA GLU A 32 -5.291 -2.201 -7.248 1.00 0.00 C ATOM 526 C GLU A 32 -3.899 -2.014 -6.656 1.00 0.00 C ATOM 527 O GLU A 32 -3.647 -1.053 -5.928 1.00 0.00 O ATOM 528 CB GLU A 32 -5.613 -1.054 -8.208 1.00 0.00 C ATOM 529 CG GLU A 32 -5.978 -1.518 -9.608 1.00 0.00 C ATOM 530 CD GLU A 32 -4.770 -1.962 -10.408 1.00 0.00 C ATOM 531 OE1 GLU A 32 -3.671 -1.416 -10.176 1.00 0.00 O ATOM 532 OE2 GLU A 32 -4.922 -2.856 -11.267 1.00 0.00 O ATOM 0 H GLU A 32 -6.199 -1.567 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.307 -3.140 -7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.439 -0.471 -7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.752 -0.388 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.687 -2.343 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.481 -0.708 -10.136 1.00 0.00 H new ATOM 539 N PHE A 33 -3.002 -2.943 -6.968 1.00 0.00 N ATOM 540 CA PHE A 33 -1.641 -2.892 -6.470 1.00 0.00 C ATOM 541 C PHE A 33 -0.743 -2.104 -7.414 1.00 0.00 C ATOM 542 O PHE A 33 -1.045 -1.953 -8.598 1.00 0.00 O ATOM 543 CB PHE A 33 -1.098 -4.309 -6.306 1.00 0.00 C ATOM 544 CG PHE A 33 0.070 -4.386 -5.378 1.00 0.00 C ATOM 545 CD1 PHE A 33 -0.112 -4.230 -4.020 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.345 -4.602 -5.865 1.00 0.00 C ATOM 547 CE1 PHE A 33 0.963 -4.290 -3.153 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.427 -4.662 -5.007 1.00 0.00 C ATOM 549 CZ PHE A 33 2.234 -4.506 -3.647 1.00 0.00 C ATOM 0 H PHE A 33 -3.199 -3.744 -7.568 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.649 -2.388 -5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.893 -4.955 -5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.804 -4.694 -7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.104 -4.059 -3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.498 -4.725 -6.927 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.809 -4.168 -2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.420 -4.830 -5.398 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.076 -4.553 -2.972 1.00 0.00 H new ATOM 559 N ILE A 34 0.365 -1.606 -6.879 1.00 0.00 N ATOM 560 CA ILE A 34 1.319 -0.836 -7.664 1.00 0.00 C ATOM 561 C ILE A 34 2.731 -1.041 -7.142 1.00 0.00 C ATOM 562 O ILE A 34 3.030 -0.756 -5.981 1.00 0.00 O ATOM 563 CB ILE A 34 1.000 0.669 -7.642 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.489 0.903 -7.890 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.840 1.403 -8.674 1.00 0.00 C ATOM 566 CD1 ILE A 34 -0.931 2.324 -7.620 1.00 0.00 C ATOM 0 H ILE A 34 0.625 -1.723 -5.900 1.00 0.00 H new ATOM 0 HA ILE A 34 1.243 -1.196 -8.690 1.00 0.00 H new ATOM 0 HB ILE A 34 1.247 1.063 -6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.721 0.649 -8.924 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.065 0.226 -7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.603 2.467 -8.646 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.897 1.261 -8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.623 1.009 -9.667 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.999 2.416 -7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.731 2.576 -6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.382 3.006 -8.270 1.00 0.00 H new ATOM 578 N ASN A 35 3.591 -1.539 -8.010 1.00 0.00 N ATOM 579 CA ASN A 35 4.983 -1.790 -7.657 1.00 0.00 C ATOM 580 C ASN A 35 5.735 -0.476 -7.499 1.00 0.00 C ATOM 581 O ASN A 35 5.960 0.241 -8.473 1.00 0.00 O ATOM 582 CB ASN A 35 5.651 -2.658 -8.727 1.00 0.00 C ATOM 583 CG ASN A 35 7.044 -3.117 -8.332 1.00 0.00 C ATOM 584 OD1 ASN A 35 7.942 -3.188 -9.170 1.00 0.00 O ATOM 585 ND2 ASN A 35 7.230 -3.446 -7.058 1.00 0.00 N ATOM 0 H ASN A 35 3.352 -1.780 -8.972 1.00 0.00 H new ATOM 0 HA ASN A 35 5.011 -2.322 -6.706 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.028 -3.531 -8.920 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.710 -2.096 -9.659 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.144 -3.772 -6.744 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.459 -3.373 -6.395 1.00 0.00 H new ATOM 592 N ILE A 36 6.110 -0.159 -6.265 1.00 0.00 N ATOM 593 CA ILE A 36 6.825 1.077 -5.981 1.00 0.00 C ATOM 594 C ILE A 36 8.277 1.001 -6.449 1.00 0.00 C ATOM 595 O ILE A 36 8.874 2.014 -6.810 1.00 0.00 O ATOM 596 CB ILE A 36 6.781 1.418 -4.479 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.399 0.292 -3.652 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.349 1.681 -4.038 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.601 0.733 -2.851 1.00 0.00 C ATOM 0 H ILE A 36 5.930 -0.741 -5.447 1.00 0.00 H new ATOM 0 HA ILE A 36 6.321 1.869 -6.535 1.00 0.00 H new ATOM 0 HB ILE A 36 7.366 2.323 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.645 -0.108 -2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.692 -0.520 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.334 1.921 -2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.942 2.519 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.744 0.793 -4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.992 -0.113 -2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.371 1.106 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.308 1.525 -2.162 1.00 0.00 H new ATOM 611 N MET A 37 8.841 -0.205 -6.453 1.00 0.00 N ATOM 612 CA MET A 37 10.221 -0.398 -6.890 1.00 0.00 C ATOM 613 C MET A 37 10.275 -1.315 -8.108 1.00 0.00 C ATOM 614 O MET A 37 10.439 -2.528 -7.974 1.00 0.00 O ATOM 615 CB MET A 37 11.065 -0.987 -5.756 1.00 0.00 C ATOM 616 CG MET A 37 12.553 -0.662 -5.839 1.00 0.00 C ATOM 617 SD MET A 37 13.564 -1.789 -4.848 1.00 0.00 S ATOM 618 CE MET A 37 13.248 -1.187 -3.185 1.00 0.00 C ATOM 0 H MET A 37 8.366 -1.059 -6.160 1.00 0.00 H new ATOM 0 HA MET A 37 10.629 0.574 -7.165 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.679 -0.621 -4.805 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.942 -2.070 -5.754 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.875 -0.710 -6.879 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.718 0.361 -5.501 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.194 -1.054 -2.660 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.725 -0.232 -3.237 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.633 -1.909 -2.647 1.00 0.00 H new ATOM 628 N PRO A 38 10.134 -0.749 -9.320 1.00 0.00 N ATOM 629 CA PRO A 38 10.164 -1.525 -10.560 1.00 0.00 C ATOM 630 C PRO A 38 11.583 -1.875 -11.001 1.00 0.00 C ATOM 631 O PRO A 38 11.782 -2.443 -12.076 1.00 0.00 O ATOM 632 CB PRO A 38 9.511 -0.582 -11.567 1.00 0.00 C ATOM 633 CG PRO A 38 9.855 0.782 -11.078 1.00 0.00 C ATOM 634 CD PRO A 38 9.928 0.691 -9.574 1.00 0.00 C ATOM 0 HA PRO A 38 9.661 -2.486 -10.454 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.893 -0.751 -12.574 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.432 -0.729 -11.606 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.806 1.115 -11.493 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.102 1.507 -11.387 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.748 1.289 -9.176 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.013 1.053 -9.106 1.00 0.00 H new ATOM 642 N GLU A 39 12.567 -1.535 -10.172 1.00 0.00 N ATOM 643 CA GLU A 39 13.960 -1.819 -10.491 1.00 0.00 C ATOM 644 C GLU A 39 14.727 -2.287 -9.260 1.00 0.00 C ATOM 645 O GLU A 39 14.534 -1.775 -8.158 1.00 0.00 O ATOM 646 CB GLU A 39 14.635 -0.576 -11.074 1.00 0.00 C ATOM 647 CG GLU A 39 15.758 -0.896 -12.047 1.00 0.00 C ATOM 648 CD GLU A 39 16.947 0.033 -11.892 1.00 0.00 C ATOM 649 OE1 GLU A 39 17.416 0.211 -10.748 1.00 0.00 O ATOM 650 OE2 GLU A 39 17.407 0.582 -12.914 1.00 0.00 O ATOM 0 H GLU A 39 12.425 -1.064 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 39 13.973 -2.620 -11.230 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.885 0.030 -11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.033 0.028 -10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.083 -1.925 -11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.380 -0.829 -13.067 1.00 0.00 H new ATOM 657 N LYS A 40 15.612 -3.258 -9.465 1.00 0.00 N ATOM 658 CA LYS A 40 16.429 -3.805 -8.384 1.00 0.00 C ATOM 659 C LYS A 40 17.369 -2.762 -7.795 1.00 0.00 C ATOM 660 O LYS A 40 18.045 -3.007 -6.795 1.00 0.00 O ATOM 661 CB LYS A 40 17.231 -5.013 -8.881 1.00 0.00 C ATOM 662 CG LYS A 40 16.659 -6.351 -8.446 1.00 0.00 C ATOM 663 CD LYS A 40 17.677 -7.468 -8.611 1.00 0.00 C ATOM 664 CE LYS A 40 17.005 -8.829 -8.672 1.00 0.00 C ATOM 665 NZ LYS A 40 16.305 -9.159 -7.399 1.00 0.00 N ATOM 0 H LYS A 40 15.783 -3.685 -10.375 1.00 0.00 H new ATOM 0 HA LYS A 40 15.750 -4.122 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.276 -4.984 -9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 40 18.255 -4.931 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.346 -6.293 -7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.770 -6.577 -9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.254 -7.305 -9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.381 -7.446 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.290 -8.844 -9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.752 -9.594 -8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.917 -10.122 -7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.978 -9.103 -6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.531 -8.483 -7.243 1.00 0.00 H new ATOM 679 N GLY A 41 17.411 -1.613 -8.431 1.00 0.00 N ATOM 680 CA GLY A 41 18.278 -0.531 -7.989 1.00 0.00 C ATOM 681 C GLY A 41 17.522 0.614 -7.343 1.00 0.00 C ATOM 682 O GLY A 41 17.664 0.862 -6.145 1.00 0.00 O ATOM 0 H GLY A 41 16.855 -1.398 -9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.006 -0.924 -7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.839 -0.152 -8.843 1.00 0.00 H new ATOM 686 N VAL A 42 16.725 1.322 -8.137 1.00 0.00 N ATOM 687 CA VAL A 42 15.960 2.456 -7.633 1.00 0.00 C ATOM 688 C VAL A 42 14.472 2.311 -7.939 1.00 0.00 C ATOM 689 O VAL A 42 14.092 1.921 -9.043 1.00 0.00 O ATOM 690 CB VAL A 42 16.465 3.781 -8.237 1.00 0.00 C ATOM 691 CG1 VAL A 42 15.787 4.970 -7.573 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.978 3.884 -8.113 1.00 0.00 C ATOM 0 H VAL A 42 16.593 1.131 -9.130 1.00 0.00 H new ATOM 0 HA VAL A 42 16.101 2.471 -6.552 1.00 0.00 H new ATOM 0 HB VAL A 42 16.208 3.793 -9.296 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.159 5.894 -8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.709 4.904 -7.722 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.007 4.964 -6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.315 4.826 -8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.260 3.846 -7.061 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.444 3.054 -8.644 1.00 0.00 H new ATOM 702 N PHE A 43 13.632 2.629 -6.956 1.00 0.00 N ATOM 703 CA PHE A 43 12.183 2.535 -7.132 1.00 0.00 C ATOM 704 C PHE A 43 11.671 3.634 -8.058 1.00 0.00 C ATOM 705 O PHE A 43 12.410 4.551 -8.415 1.00 0.00 O ATOM 706 CB PHE A 43 11.440 2.602 -5.788 1.00 0.00 C ATOM 707 CG PHE A 43 12.195 3.300 -4.695 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.083 4.670 -4.524 1.00 0.00 C ATOM 709 CD2 PHE A 43 13.017 2.585 -3.841 1.00 0.00 C ATOM 710 CE1 PHE A 43 12.779 5.316 -3.519 1.00 0.00 C ATOM 711 CE2 PHE A 43 13.716 3.224 -2.834 1.00 0.00 C ATOM 712 CZ PHE A 43 13.597 4.592 -2.674 1.00 0.00 C ATOM 0 H PHE A 43 13.927 2.952 -6.035 1.00 0.00 H new ATOM 0 HA PHE A 43 11.982 1.565 -7.586 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.488 3.112 -5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.210 1.587 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.445 5.240 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 43 13.113 1.516 -3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.683 6.385 -3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.354 2.656 -2.173 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.143 5.094 -1.889 1.00 0.00 H new ATOM 722 N ASP A 44 10.402 3.533 -8.452 1.00 0.00 N ATOM 723 CA ASP A 44 9.802 4.518 -9.349 1.00 0.00 C ATOM 724 C ASP A 44 9.430 5.803 -8.610 1.00 0.00 C ATOM 725 O ASP A 44 8.691 5.779 -7.625 1.00 0.00 O ATOM 726 CB ASP A 44 8.564 3.943 -10.044 1.00 0.00 C ATOM 727 CG ASP A 44 7.644 3.201 -9.094 1.00 0.00 C ATOM 728 OD1 ASP A 44 7.458 3.674 -7.954 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.106 2.147 -9.494 1.00 0.00 O ATOM 0 H ASP A 44 9.773 2.783 -8.166 1.00 0.00 H new ATOM 0 HA ASP A 44 10.552 4.762 -10.102 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.011 4.754 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.881 3.266 -10.838 1.00 0.00 H new ATOM 734 N ASP A 45 9.945 6.928 -9.100 1.00 0.00 N ATOM 735 CA ASP A 45 9.675 8.229 -8.493 1.00 0.00 C ATOM 736 C ASP A 45 8.314 8.779 -8.917 1.00 0.00 C ATOM 737 O ASP A 45 7.708 9.573 -8.198 1.00 0.00 O ATOM 738 CB ASP A 45 10.771 9.225 -8.873 1.00 0.00 C ATOM 739 CG ASP A 45 12.030 9.042 -8.048 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.128 9.665 -6.970 1.00 0.00 O ATOM 741 OD2 ASP A 45 12.916 8.275 -8.479 1.00 0.00 O ATOM 0 H ASP A 45 10.553 6.965 -9.918 1.00 0.00 H new ATOM 0 HA ASP A 45 9.662 8.090 -7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.012 9.110 -9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.397 10.240 -8.740 1.00 0.00 H new ATOM 746 N GLU A 46 7.842 8.366 -10.089 1.00 0.00 N ATOM 747 CA GLU A 46 6.557 8.836 -10.600 1.00 0.00 C ATOM 748 C GLU A 46 5.413 8.447 -9.666 1.00 0.00 C ATOM 749 O GLU A 46 4.605 9.290 -9.273 1.00 0.00 O ATOM 750 CB GLU A 46 6.303 8.278 -12.003 1.00 0.00 C ATOM 751 CG GLU A 46 6.364 6.761 -12.079 1.00 0.00 C ATOM 752 CD GLU A 46 6.793 6.262 -13.444 1.00 0.00 C ATOM 753 OE1 GLU A 46 7.878 6.668 -13.911 1.00 0.00 O ATOM 754 OE2 GLU A 46 6.044 5.464 -14.047 1.00 0.00 O ATOM 0 H GLU A 46 8.327 7.710 -10.701 1.00 0.00 H new ATOM 0 HA GLU A 46 6.598 9.924 -10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.323 8.611 -12.344 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.039 8.697 -12.689 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.060 6.391 -11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.384 6.349 -11.837 1.00 0.00 H new ATOM 761 N LYS A 47 5.347 7.167 -9.314 1.00 0.00 N ATOM 762 CA LYS A 47 4.301 6.677 -8.427 1.00 0.00 C ATOM 763 C LYS A 47 4.546 7.135 -6.994 1.00 0.00 C ATOM 764 O LYS A 47 3.608 7.466 -6.269 1.00 0.00 O ATOM 765 CB LYS A 47 4.219 5.151 -8.484 1.00 0.00 C ATOM 766 CG LYS A 47 3.252 4.632 -9.536 1.00 0.00 C ATOM 767 CD LYS A 47 3.981 4.172 -10.788 1.00 0.00 C ATOM 768 CE LYS A 47 4.205 2.669 -10.782 1.00 0.00 C ATOM 769 NZ LYS A 47 4.773 2.186 -12.070 1.00 0.00 N ATOM 0 H LYS A 47 6.004 6.453 -9.629 1.00 0.00 H new ATOM 0 HA LYS A 47 3.352 7.092 -8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.212 4.749 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.916 4.775 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.676 3.803 -9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.541 5.416 -9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.404 4.451 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.941 4.684 -10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.879 2.406 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.259 2.162 -10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.910 1.156 -12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.118 2.414 -12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.688 2.650 -12.242 1.00 0.00 H new ATOM 783 N ILE A 48 5.813 7.159 -6.593 1.00 0.00 N ATOM 784 CA ILE A 48 6.174 7.586 -5.249 1.00 0.00 C ATOM 785 C ILE A 48 5.997 9.097 -5.100 1.00 0.00 C ATOM 786 O ILE A 48 5.780 9.600 -3.998 1.00 0.00 O ATOM 787 CB ILE A 48 7.631 7.186 -4.904 1.00 0.00 C ATOM 788 CG1 ILE A 48 7.705 5.707 -4.506 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.189 8.057 -3.784 1.00 0.00 C ATOM 790 CD1 ILE A 48 6.960 4.777 -5.443 1.00 0.00 C ATOM 0 H ILE A 48 6.603 6.889 -7.178 1.00 0.00 H new ATOM 0 HA ILE A 48 5.507 7.080 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 48 8.239 7.342 -5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.751 5.404 -4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.302 5.592 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.212 7.754 -3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.179 9.101 -4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.575 7.939 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.061 3.750 -5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.905 5.051 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.377 4.860 -6.446 1.00 0.00 H new ATOM 802 N ALA A 49 6.088 9.814 -6.217 1.00 0.00 N ATOM 803 CA ALA A 49 5.931 11.263 -6.208 1.00 0.00 C ATOM 804 C ALA A 49 4.502 11.644 -5.844 1.00 0.00 C ATOM 805 O ALA A 49 4.272 12.432 -4.927 1.00 0.00 O ATOM 806 CB ALA A 49 6.307 11.846 -7.563 1.00 0.00 C ATOM 0 H ALA A 49 6.269 9.415 -7.138 1.00 0.00 H new ATOM 0 HA ALA A 49 6.600 11.677 -5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.184 12.929 -7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.345 11.603 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.661 11.424 -8.333 1.00 0.00 H new ATOM 812 N GLU A 50 3.543 11.069 -6.563 1.00 0.00 N ATOM 813 CA GLU A 50 2.133 11.340 -6.307 1.00 0.00 C ATOM 814 C GLU A 50 1.771 10.941 -4.880 1.00 0.00 C ATOM 815 O GLU A 50 0.948 11.587 -4.231 1.00 0.00 O ATOM 816 CB GLU A 50 1.257 10.579 -7.310 1.00 0.00 C ATOM 817 CG GLU A 50 -0.215 10.522 -6.926 1.00 0.00 C ATOM 818 CD GLU A 50 -1.132 10.949 -8.056 1.00 0.00 C ATOM 819 OE1 GLU A 50 -1.286 10.172 -9.021 1.00 0.00 O ATOM 820 OE2 GLU A 50 -1.694 12.062 -7.976 1.00 0.00 O ATOM 0 H GLU A 50 3.716 10.414 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 50 1.954 12.408 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.349 11.051 -8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.636 9.562 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.468 9.506 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.386 11.165 -6.062 1.00 0.00 H new ATOM 827 N LEU A 51 2.400 9.874 -4.397 1.00 0.00 N ATOM 828 CA LEU A 51 2.156 9.382 -3.051 1.00 0.00 C ATOM 829 C LEU A 51 2.439 10.473 -2.025 1.00 0.00 C ATOM 830 O LEU A 51 1.600 10.780 -1.179 1.00 0.00 O ATOM 831 CB LEU A 51 3.038 8.160 -2.785 1.00 0.00 C ATOM 832 CG LEU A 51 2.572 7.244 -1.659 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.494 6.040 -1.537 1.00 0.00 C ATOM 834 CD2 LEU A 51 2.504 7.991 -0.345 1.00 0.00 C ATOM 0 H LEU A 51 3.086 9.333 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 51 1.109 9.094 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.103 7.575 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.046 8.505 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 51 1.569 6.893 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.147 5.396 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.489 5.481 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.508 6.378 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.169 7.314 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.492 8.377 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.802 8.820 -0.434 1.00 0.00 H new ATOM 846 N LEU A 52 3.627 11.068 -2.115 1.00 0.00 N ATOM 847 CA LEU A 52 4.027 12.130 -1.206 1.00 0.00 C ATOM 848 C LEU A 52 2.992 13.243 -1.156 1.00 0.00 C ATOM 849 O LEU A 52 2.631 13.727 -0.083 1.00 0.00 O ATOM 850 CB LEU A 52 5.360 12.668 -1.639 1.00 0.00 C ATOM 851 CG LEU A 52 6.492 11.694 -1.385 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.759 12.260 -1.929 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.618 11.397 0.099 1.00 0.00 C ATOM 0 H LEU A 52 4.330 10.828 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 52 4.104 11.719 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.323 12.907 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.561 13.599 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 52 6.281 10.752 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.576 11.562 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.653 12.425 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.975 13.208 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.436 10.696 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.820 12.322 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.688 10.960 0.463 1.00 0.00 H new ATOM 865 N THR A 53 2.515 13.642 -2.329 1.00 0.00 N ATOM 866 CA THR A 53 1.513 14.696 -2.428 1.00 0.00 C ATOM 867 C THR A 53 0.219 14.265 -1.748 1.00 0.00 C ATOM 868 O THR A 53 -0.386 15.030 -0.997 1.00 0.00 O ATOM 869 CB THR A 53 1.246 15.041 -3.894 1.00 0.00 C ATOM 870 OG1 THR A 53 2.453 15.358 -4.563 1.00 0.00 O ATOM 871 CG2 THR A 53 0.302 16.211 -4.071 1.00 0.00 C ATOM 0 H THR A 53 2.806 13.251 -3.225 1.00 0.00 H new ATOM 0 HA THR A 53 1.895 15.583 -1.923 1.00 0.00 H new ATOM 0 HB THR A 53 0.781 14.152 -4.320 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.261 15.574 -5.499 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.156 16.403 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.657 15.978 -3.609 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.727 17.096 -3.598 1.00 0.00 H new ATOM 879 N LYS A 54 -0.195 13.030 -2.012 1.00 0.00 N ATOM 880 CA LYS A 54 -1.413 12.489 -1.423 1.00 0.00 C ATOM 881 C LYS A 54 -1.322 12.489 0.100 1.00 0.00 C ATOM 882 O LYS A 54 -2.324 12.673 0.793 1.00 0.00 O ATOM 883 CB LYS A 54 -1.665 11.067 -1.936 1.00 0.00 C ATOM 884 CG LYS A 54 -1.784 10.981 -3.450 1.00 0.00 C ATOM 885 CD LYS A 54 -3.238 10.935 -3.892 1.00 0.00 C ATOM 886 CE LYS A 54 -3.843 9.558 -3.676 1.00 0.00 C ATOM 887 NZ LYS A 54 -3.819 8.739 -4.920 1.00 0.00 N ATOM 0 H LYS A 54 0.296 12.385 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.248 13.124 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.852 10.421 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.580 10.683 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.291 11.841 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.266 10.091 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.812 11.677 -3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.307 11.203 -4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.294 9.040 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.871 9.663 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.240 7.807 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.364 9.221 -5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.836 8.616 -5.236 1.00 0.00 H new ATOM 901 N LEU A 55 -0.113 12.288 0.615 1.00 0.00 N ATOM 902 CA LEU A 55 0.115 12.269 2.056 1.00 0.00 C ATOM 903 C LEU A 55 -0.230 13.618 2.678 1.00 0.00 C ATOM 904 O LEU A 55 -1.178 13.730 3.455 1.00 0.00 O ATOM 905 CB LEU A 55 1.572 11.911 2.358 1.00 0.00 C ATOM 906 CG LEU A 55 1.984 10.469 2.035 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.911 9.932 3.109 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.768 9.563 1.899 1.00 0.00 C ATOM 0 H LEU A 55 0.726 12.136 0.055 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.535 11.511 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.217 12.588 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.760 12.095 3.416 1.00 0.00 H new ATOM 0 HG LEU A 55 2.509 10.479 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.195 8.908 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.805 10.553 3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.400 9.948 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.094 8.548 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.209 9.562 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.130 9.929 1.095 1.00 0.00 H new ATOM 920 N GLY A 56 0.547 14.639 2.333 1.00 0.00 N ATOM 921 CA GLY A 56 0.310 15.967 2.869 1.00 0.00 C ATOM 922 C GLY A 56 1.511 16.880 2.716 1.00 0.00 C ATOM 923 O GLY A 56 1.363 18.099 2.618 1.00 0.00 O ATOM 0 H GLY A 56 1.337 14.571 1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.547 16.412 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.050 15.888 3.925 1.00 0.00 H new ATOM 927 N ARG A 57 2.702 16.290 2.700 1.00 0.00 N ATOM 928 CA ARG A 57 3.938 17.058 2.561 1.00 0.00 C ATOM 929 C ARG A 57 4.836 16.451 1.484 1.00 0.00 C ATOM 930 O ARG A 57 4.389 15.634 0.679 1.00 0.00 O ATOM 931 CB ARG A 57 4.682 17.105 3.898 1.00 0.00 C ATOM 932 CG ARG A 57 3.803 17.507 5.073 1.00 0.00 C ATOM 933 CD ARG A 57 4.136 18.906 5.567 1.00 0.00 C ATOM 934 NE ARG A 57 4.154 19.881 4.479 1.00 0.00 N ATOM 935 CZ ARG A 57 4.360 21.184 4.655 1.00 0.00 C ATOM 936 NH1 ARG A 57 4.566 21.672 5.872 1.00 0.00 N ATOM 937 NH2 ARG A 57 4.361 22.002 3.611 1.00 0.00 N ATOM 0 H ARG A 57 2.839 15.283 2.781 1.00 0.00 H new ATOM 0 HA ARG A 57 3.678 18.073 2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.114 16.125 4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.511 17.809 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.755 17.465 4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.932 16.793 5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.403 19.210 6.314 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.108 18.895 6.060 1.00 0.00 H new ATOM 0 HE ARG A 57 4.000 19.543 3.529 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.567 21.047 6.678 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.723 22.672 6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.204 21.632 2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.519 23.001 3.746 1.00 0.00 H new ATOM 951 N ASP A 58 6.102 16.861 1.471 1.00 0.00 N ATOM 952 CA ASP A 58 7.059 16.359 0.491 1.00 0.00 C ATOM 953 C ASP A 58 8.000 15.335 1.119 1.00 0.00 C ATOM 954 O ASP A 58 8.540 14.470 0.428 1.00 0.00 O ATOM 955 CB ASP A 58 7.869 17.516 -0.099 1.00 0.00 C ATOM 956 CG ASP A 58 8.696 17.091 -1.295 1.00 0.00 C ATOM 957 OD1 ASP A 58 8.100 16.718 -2.327 1.00 0.00 O ATOM 958 OD2 ASP A 58 9.941 17.134 -1.202 1.00 0.00 O ATOM 0 H ASP A 58 6.488 17.539 2.128 1.00 0.00 H new ATOM 0 HA ASP A 58 6.500 15.869 -0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.191 18.316 -0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.527 17.923 0.668 1.00 0.00 H new ATOM 963 N THR A 59 8.194 15.438 2.430 1.00 0.00 N ATOM 964 CA THR A 59 9.069 14.517 3.145 1.00 0.00 C ATOM 965 C THR A 59 8.305 13.274 3.586 1.00 0.00 C ATOM 966 O THR A 59 7.074 13.259 3.589 1.00 0.00 O ATOM 967 CB THR A 59 9.692 15.209 4.359 1.00 0.00 C ATOM 968 OG1 THR A 59 10.601 14.344 5.016 1.00 0.00 O ATOM 969 CG2 THR A 59 8.669 15.661 5.379 1.00 0.00 C ATOM 0 H THR A 59 7.758 16.149 3.017 1.00 0.00 H new ATOM 0 HA THR A 59 9.864 14.209 2.466 1.00 0.00 H new ATOM 0 HB THR A 59 10.200 16.088 3.963 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.991 14.804 5.788 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.177 16.144 6.214 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.981 16.368 4.915 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.112 14.798 5.743 1.00 0.00 H new ATOM 977 N GLN A 60 9.043 12.234 3.961 1.00 0.00 N ATOM 978 CA GLN A 60 8.437 10.985 4.405 1.00 0.00 C ATOM 979 C GLN A 60 8.635 10.784 5.902 1.00 0.00 C ATOM 980 O GLN A 60 9.693 10.341 6.348 1.00 0.00 O ATOM 981 CB GLN A 60 9.039 9.806 3.643 1.00 0.00 C ATOM 982 CG GLN A 60 9.037 9.991 2.134 1.00 0.00 C ATOM 983 CD GLN A 60 10.244 9.359 1.470 1.00 0.00 C ATOM 984 OE1 GLN A 60 10.395 8.137 1.462 1.00 0.00 O ATOM 985 NE2 GLN A 60 11.113 10.191 0.908 1.00 0.00 N ATOM 0 H GLN A 60 10.063 12.232 3.966 1.00 0.00 H new ATOM 0 HA GLN A 60 7.368 11.038 4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.064 9.652 3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.482 8.902 3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.128 9.555 1.719 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.015 11.056 1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.948 11.197 0.938 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.945 9.824 0.446 1.00 0.00 H new ATOM 994 N ILE A 61 7.604 11.106 6.669 1.00 0.00 N ATOM 995 CA ILE A 61 7.647 10.960 8.120 1.00 0.00 C ATOM 996 C ILE A 61 7.394 9.517 8.534 1.00 0.00 C ATOM 997 O ILE A 61 6.265 9.141 8.852 1.00 0.00 O ATOM 998 CB ILE A 61 6.609 11.869 8.808 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.228 11.669 8.181 1.00 0.00 C ATOM 1000 CG2 ILE A 61 7.035 13.326 8.713 1.00 0.00 C ATOM 1001 CD1 ILE A 61 4.100 11.672 9.191 1.00 0.00 C ATOM 0 H ILE A 61 6.722 11.472 6.310 1.00 0.00 H new ATOM 0 HA ILE A 61 8.646 11.257 8.438 1.00 0.00 H new ATOM 0 HB ILE A 61 6.551 11.596 9.862 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.052 12.458 7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.217 10.723 7.639 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.292 13.955 9.203 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.000 13.456 9.203 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.119 13.613 7.665 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.150 11.525 8.676 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.252 10.866 9.909 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.084 12.627 9.716 1.00 0.00 H new ATOM 1013 N GLY A 62 8.449 8.710 8.525 1.00 0.00 N ATOM 1014 CA GLY A 62 8.316 7.315 8.899 1.00 0.00 C ATOM 1015 C GLY A 62 7.505 6.525 7.892 1.00 0.00 C ATOM 1016 O GLY A 62 6.891 5.514 8.235 1.00 0.00 O ATOM 0 H GLY A 62 9.393 8.997 8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.307 6.870 8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.841 7.247 9.878 1.00 0.00 H new ATOM 1020 N LEU A 63 7.499 6.991 6.648 1.00 0.00 N ATOM 1021 CA LEU A 63 6.758 6.326 5.585 1.00 0.00 C ATOM 1022 C LEU A 63 7.293 4.919 5.345 1.00 0.00 C ATOM 1023 O LEU A 63 8.499 4.718 5.201 1.00 0.00 O ATOM 1024 CB LEU A 63 6.839 7.144 4.295 1.00 0.00 C ATOM 1025 CG LEU A 63 5.787 6.800 3.240 1.00 0.00 C ATOM 1026 CD1 LEU A 63 6.011 5.396 2.703 1.00 0.00 C ATOM 1027 CD2 LEU A 63 4.388 6.936 3.818 1.00 0.00 C ATOM 0 H LEU A 63 8.000 7.828 6.352 1.00 0.00 H new ATOM 0 HA LEU A 63 5.716 6.248 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.746 8.200 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.828 7.006 3.858 1.00 0.00 H new ATOM 0 HG LEU A 63 5.885 7.503 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.253 5.168 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.000 5.333 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.940 4.678 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.652 6.687 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.276 6.257 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.231 7.961 4.153 1.00 0.00 H new ATOM 1039 N THR A 64 6.388 3.947 5.304 1.00 0.00 N ATOM 1040 CA THR A 64 6.770 2.559 5.082 1.00 0.00 C ATOM 1041 C THR A 64 5.827 1.880 4.095 1.00 0.00 C ATOM 1042 O THR A 64 4.661 2.257 3.972 1.00 0.00 O ATOM 1043 CB THR A 64 6.779 1.794 6.407 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.841 2.350 7.313 1.00 0.00 O ATOM 1045 CG2 THR A 64 8.130 1.792 7.088 1.00 0.00 C ATOM 0 H THR A 64 5.386 4.096 5.422 1.00 0.00 H new ATOM 0 HA THR A 64 7.773 2.550 4.656 1.00 0.00 H new ATOM 0 HB THR A 64 6.519 0.767 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.860 1.847 8.154 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.066 1.233 8.021 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.866 1.324 6.434 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.432 2.818 7.300 1.00 0.00 H new ATOM 1053 N MET A 65 6.339 0.874 3.397 1.00 0.00 N ATOM 1054 CA MET A 65 5.546 0.135 2.423 1.00 0.00 C ATOM 1055 C MET A 65 5.145 -1.226 2.979 1.00 0.00 C ATOM 1056 O MET A 65 5.836 -1.782 3.833 1.00 0.00 O ATOM 1057 CB MET A 65 6.330 -0.040 1.122 1.00 0.00 C ATOM 1058 CG MET A 65 6.770 1.275 0.496 1.00 0.00 C ATOM 1059 SD MET A 65 8.519 1.622 0.764 1.00 0.00 S ATOM 1060 CE MET A 65 8.528 3.411 0.675 1.00 0.00 C ATOM 0 H MET A 65 7.302 0.551 3.488 1.00 0.00 H new ATOM 0 HA MET A 65 4.641 0.706 2.215 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.210 -0.653 1.317 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.714 -0.585 0.407 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.569 1.248 -0.575 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.175 2.088 0.912 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.342 3.739 0.029 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.579 3.760 0.268 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.668 3.824 1.674 1.00 0.00 H new ATOM 1070 N PRO A 66 4.017 -1.785 2.509 1.00 0.00 N ATOM 1071 CA PRO A 66 3.159 -1.170 1.495 1.00 0.00 C ATOM 1072 C PRO A 66 2.195 -0.142 2.080 1.00 0.00 C ATOM 1073 O PRO A 66 1.625 -0.347 3.153 1.00 0.00 O ATOM 1074 CB PRO A 66 2.374 -2.361 0.917 1.00 0.00 C ATOM 1075 CG PRO A 66 2.867 -3.572 1.645 1.00 0.00 C ATOM 1076 CD PRO A 66 3.483 -3.079 2.920 1.00 0.00 C ATOM 0 HA PRO A 66 3.744 -0.622 0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.302 -2.229 1.061 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.542 -2.455 -0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.048 -4.261 1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.598 -4.115 1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.748 -2.983 3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.264 -3.748 3.283 1.00 0.00 H new ATOM 1084 N GLN A 67 2.002 0.957 1.355 1.00 0.00 N ATOM 1085 CA GLN A 67 1.092 2.011 1.787 1.00 0.00 C ATOM 1086 C GLN A 67 -0.240 1.884 1.057 1.00 0.00 C ATOM 1087 O GLN A 67 -0.272 1.650 -0.145 1.00 0.00 O ATOM 1088 CB GLN A 67 1.706 3.386 1.520 1.00 0.00 C ATOM 1089 CG GLN A 67 2.610 3.874 2.639 1.00 0.00 C ATOM 1090 CD GLN A 67 2.069 5.110 3.330 1.00 0.00 C ATOM 1091 OE1 GLN A 67 1.657 6.071 2.679 1.00 0.00 O ATOM 1092 NE2 GLN A 67 2.066 5.091 4.658 1.00 0.00 N ATOM 0 H GLN A 67 2.465 1.140 0.465 1.00 0.00 H new ATOM 0 HA GLN A 67 0.921 1.906 2.858 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.278 3.346 0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.905 4.110 1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.735 3.078 3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.598 4.092 2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.417 4.274 5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.713 5.894 5.179 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.342 2.023 1.782 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.656 1.900 1.167 1.00 0.00 C ATOM 1103 C VAL A 68 -3.348 3.251 1.031 1.00 0.00 C ATOM 1104 O VAL A 68 -3.018 4.207 1.733 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.567 0.933 1.948 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.739 0.498 1.083 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.783 -0.279 2.434 1.00 0.00 C ATOM 0 H VAL A 68 -1.353 2.218 2.783 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.487 1.492 0.170 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.954 1.458 2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.374 -0.185 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.318 1.373 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.366 -0.007 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.448 -0.946 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.363 -0.808 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.976 0.049 3.090 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.314 3.318 0.119 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.054 4.550 -0.124 1.00 0.00 C ATOM 1119 C PHE A 69 -6.520 4.262 -0.424 1.00 0.00 C ATOM 1120 O PHE A 69 -6.844 3.324 -1.152 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.429 5.309 -1.293 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.246 6.134 -0.893 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -1.977 5.581 -0.864 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -3.406 7.460 -0.534 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -0.886 6.340 -0.486 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -2.320 8.223 -0.156 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.058 7.662 -0.132 1.00 0.00 C ATOM 0 H PHE A 69 -4.602 2.532 -0.464 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.003 5.159 0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.125 4.596 -2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.182 5.958 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.838 4.546 -1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.391 7.903 -0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.100 5.899 -0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.457 9.258 0.121 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.207 8.258 0.164 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.402 5.081 0.142 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.840 4.920 -0.059 1.00 0.00 C ATOM 1139 C ALA A 70 -9.187 4.867 -1.547 1.00 0.00 C ATOM 1140 O ALA A 70 -8.724 5.699 -2.329 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.593 6.055 0.618 1.00 0.00 C ATOM 0 H ALA A 70 -7.146 5.864 0.744 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.142 3.974 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.664 5.925 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.378 6.047 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.277 7.007 0.191 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.021 3.893 -1.958 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.431 3.744 -3.359 1.00 0.00 C ATOM 1149 C PRO A 71 -11.032 5.027 -3.921 1.00 0.00 C ATOM 1150 O PRO A 71 -11.063 5.232 -5.134 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.474 2.629 -3.324 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.248 1.899 -2.043 1.00 0.00 C ATOM 1153 CD PRO A 71 -10.636 2.879 -1.085 1.00 0.00 C ATOM 0 HA PRO A 71 -9.583 3.518 -4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.484 3.037 -3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.362 1.962 -4.179 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.187 1.509 -1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.588 1.045 -2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.388 3.319 -0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.895 2.401 -0.444 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.502 5.892 -3.028 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.095 7.160 -3.428 1.00 0.00 C ATOM 1163 C ASP A 72 -12.097 8.137 -2.257 1.00 0.00 C ATOM 1164 O ASP A 72 -13.066 8.868 -2.046 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.518 6.943 -3.944 1.00 0.00 C ATOM 1166 CG ASP A 72 -13.690 7.404 -5.378 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -12.811 7.094 -6.209 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -14.703 8.074 -5.669 1.00 0.00 O ATOM 0 H ASP A 72 -11.483 5.736 -2.020 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.496 7.585 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.770 5.885 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.219 7.481 -3.306 1.00 0.00 H new ATOM 1173 N GLY A 73 -11.009 8.138 -1.492 1.00 0.00 N ATOM 1174 CA GLY A 73 -10.912 9.030 -0.348 1.00 0.00 C ATOM 1175 C GLY A 73 -9.508 9.554 -0.127 1.00 0.00 C ATOM 1176 O GLY A 73 -9.015 10.377 -0.900 1.00 0.00 O ATOM 0 H GLY A 73 -10.196 7.540 -1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.590 9.871 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.243 8.503 0.547 1.00 0.00 H new ATOM 1180 N SER A 74 -8.866 9.085 0.938 1.00 0.00 N ATOM 1181 CA SER A 74 -7.511 9.516 1.271 1.00 0.00 C ATOM 1182 C SER A 74 -6.672 8.353 1.779 1.00 0.00 C ATOM 1183 O SER A 74 -7.132 7.211 1.831 1.00 0.00 O ATOM 1184 CB SER A 74 -7.552 10.625 2.325 1.00 0.00 C ATOM 1185 OG SER A 74 -8.697 10.500 3.151 1.00 0.00 O ATOM 0 H SER A 74 -9.262 8.405 1.587 1.00 0.00 H new ATOM 0 HA SER A 74 -7.049 9.900 0.361 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.651 10.583 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.558 11.598 1.834 1.00 0.00 H new ATOM 0 HG SER A 74 -8.700 11.219 3.817 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.435 8.656 2.145 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.508 7.652 2.649 1.00 0.00 C ATOM 1193 C HIS A 75 -5.088 6.930 3.861 1.00 0.00 C ATOM 1194 O HIS A 75 -5.425 7.556 4.866 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.187 8.319 3.022 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.153 7.364 3.531 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.621 7.410 4.800 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.549 6.319 2.909 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.731 6.414 4.908 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.651 5.722 3.788 1.00 0.00 N ATOM 0 H HIS A 75 -5.047 9.598 2.102 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.337 6.914 1.866 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.792 8.836 2.148 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.375 9.077 3.783 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.861 8.082 5.528 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.736 6.002 1.894 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.154 6.205 5.797 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.192 5.609 3.764 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.724 4.804 4.858 1.00 0.00 C ATOM 1210 C ILE A 76 -4.603 4.342 5.781 1.00 0.00 C ATOM 1211 O ILE A 76 -4.705 4.450 7.003 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.483 3.569 4.336 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.587 3.989 3.367 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -7.063 2.770 5.496 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.967 2.903 2.386 1.00 0.00 C ATOM 0 H ILE A 76 -4.916 5.074 2.941 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.419 5.436 5.410 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.779 2.933 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.470 4.279 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.260 4.870 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.596 1.901 5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.256 2.439 6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.753 3.397 6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.756 3.267 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.096 2.629 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.324 2.029 2.931 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.535 3.826 5.185 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.411 3.355 5.967 1.00 0.00 C ATOM 1229 C GLY A 77 -1.879 2.023 5.481 1.00 0.00 C ATOM 1230 O GLY A 77 -2.045 1.667 4.316 1.00 0.00 O ATOM 0 H GLY A 77 -3.428 3.726 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.612 4.096 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.713 3.262 7.010 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.232 1.293 6.380 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.674 0.000 6.029 1.00 0.00 C ATOM 1236 C GLY A 78 -1.638 -1.143 6.289 1.00 0.00 C ATOM 1237 O GLY A 78 -2.840 -1.016 6.054 1.00 0.00 O ATOM 0 H GLY A 78 -1.083 1.574 7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.396 0.003 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.240 -0.164 6.600 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.108 -2.262 6.776 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.927 -3.433 7.066 1.00 0.00 C ATOM 1243 C PHE A 79 -2.823 -3.187 8.277 1.00 0.00 C ATOM 1244 O PHE A 79 -4.038 -3.048 8.142 1.00 0.00 O ATOM 1245 CB PHE A 79 -1.035 -4.650 7.315 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.798 -5.910 7.612 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.849 -6.310 6.802 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.460 -6.696 8.702 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.548 -7.469 7.075 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.156 -7.857 8.979 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.200 -8.245 8.164 1.00 0.00 C ATOM 0 H PHE A 79 -0.115 -2.381 6.978 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.563 -3.625 6.202 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.407 -4.814 6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.368 -4.435 8.150 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.124 -5.709 5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.643 -6.398 9.342 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.367 -7.769 6.438 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.883 -8.460 9.832 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.744 -9.153 8.377 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.216 -3.126 9.458 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.965 -2.891 10.688 1.00 0.00 C ATOM 1263 C ASP A 80 -3.698 -1.557 10.618 1.00 0.00 C ATOM 1264 O ASP A 80 -4.897 -1.476 10.896 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.028 -2.909 11.898 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.784 -2.885 13.212 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.111 -1.778 13.689 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -3.049 -3.974 13.765 1.00 0.00 O ATOM 0 H ASP A 80 -1.210 -3.236 9.590 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.698 -3.690 10.800 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.403 -3.801 11.857 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.360 -2.049 11.850 1.00 0.00 H new ATOM 1273 N GLN A 81 -2.968 -0.511 10.239 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.546 0.822 10.123 1.00 0.00 C ATOM 1275 C GLN A 81 -4.815 0.780 9.284 1.00 0.00 C ATOM 1276 O GLN A 81 -5.778 1.497 9.557 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.538 1.788 9.494 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.645 3.209 10.021 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.371 4.006 9.810 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.539 3.658 8.972 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -1.215 5.083 10.569 1.00 0.00 N ATOM 0 H GLN A 81 -1.976 -0.562 10.007 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.797 1.175 11.123 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.530 1.417 9.677 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.683 1.798 8.414 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.473 3.716 9.525 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.880 3.181 11.085 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.931 5.334 11.251 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.380 5.660 10.470 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.813 -0.072 8.264 1.00 0.00 N ATOM 1291 CA LEU A 82 -5.967 -0.213 7.392 1.00 0.00 C ATOM 1292 C LEU A 82 -7.010 -1.139 8.001 1.00 0.00 C ATOM 1293 O LEU A 82 -8.206 -0.943 7.801 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.560 -0.720 6.019 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.723 -0.804 5.041 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.324 -0.306 3.669 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.240 -2.222 4.974 1.00 0.00 C ATOM 0 H LEU A 82 -4.025 -0.673 8.023 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.408 0.777 7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.795 -0.061 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.109 -1.707 6.122 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.523 -0.157 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.176 -0.379 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.004 0.734 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.504 -0.913 3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.072 -2.273 4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.442 -2.885 4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.579 -2.533 5.962 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.563 -2.133 8.766 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.492 -3.054 9.415 1.00 0.00 C ATOM 1311 C ARG A 83 -8.549 -2.255 10.165 1.00 0.00 C ATOM 1312 O ARG A 83 -9.698 -2.678 10.287 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.747 -3.983 10.378 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.472 -5.292 10.642 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.494 -6.439 10.847 1.00 0.00 C ATOM 1316 NE ARG A 83 -7.161 -7.650 11.319 1.00 0.00 N ATOM 1317 CZ ARG A 83 -7.878 -8.454 10.537 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -8.024 -8.181 9.246 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -8.450 -9.537 11.047 1.00 0.00 N ATOM 0 H ARG A 83 -5.577 -2.320 8.950 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.973 -3.670 8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.760 -4.200 9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.594 -3.465 11.325 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.103 -5.188 11.525 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.131 -5.520 9.804 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.981 -6.650 9.909 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.732 -6.141 11.567 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.072 -7.894 12.305 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.585 -7.351 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.575 -8.801 8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.340 -9.753 12.038 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.000 -10.153 10.448 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.149 -1.076 10.639 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.063 -0.192 11.343 1.00 0.00 C ATOM 1335 C GLU A 84 -10.111 0.323 10.366 1.00 0.00 C ATOM 1336 O GLU A 84 -11.281 0.483 10.716 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.304 0.978 11.971 1.00 0.00 C ATOM 1338 CG GLU A 84 -7.728 0.664 13.343 1.00 0.00 C ATOM 1339 CD GLU A 84 -6.791 -0.528 13.323 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -7.286 -1.671 13.240 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -5.562 -0.317 13.390 1.00 0.00 O ATOM 0 H GLU A 84 -7.199 -0.716 10.546 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.552 -0.746 12.144 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.493 1.274 11.305 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.975 1.833 12.055 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.192 1.537 13.716 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.544 0.469 14.039 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.683 0.552 9.126 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.579 1.013 8.080 1.00 0.00 C ATOM 1350 C TYR A 85 -11.638 -0.050 7.816 1.00 0.00 C ATOM 1351 O TYR A 85 -12.789 0.259 7.508 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.779 1.295 6.805 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.573 1.967 5.709 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.523 1.264 4.979 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.365 3.304 5.399 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.243 1.876 3.971 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -11.082 3.924 4.395 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.019 3.205 3.683 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.735 3.818 2.680 1.00 0.00 O ATOM 0 H TYR A 85 -8.717 0.424 8.825 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.071 1.933 8.396 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.925 1.924 7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.380 0.355 6.425 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.702 0.223 5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.630 3.869 5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.978 1.316 3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.910 4.966 4.169 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.458 4.755 2.606 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.231 -1.310 7.963 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.122 -2.448 7.758 1.00 0.00 C ATOM 1371 C PHE A 86 -12.898 -2.775 9.031 1.00 0.00 C ATOM 1372 O PHE A 86 -14.107 -2.557 9.106 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.312 -3.670 7.305 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.002 -3.674 5.834 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -11.974 -3.336 4.903 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -9.735 -3.997 5.381 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -11.683 -3.319 3.553 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.441 -3.986 4.032 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.415 -3.644 3.117 1.00 0.00 C ATOM 0 H PHE A 86 -10.280 -1.568 8.226 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.841 -2.184 6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.377 -3.704 7.865 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.866 -4.575 7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -12.969 -3.083 5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.966 -4.261 6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.448 -3.051 2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.449 -4.245 3.693 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.186 -3.631 2.062 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.195 -3.298 10.032 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.820 -3.653 11.302 1.00 0.00 C ATOM 1391 C LYS A 87 -12.930 -2.437 12.214 1.00 0.00 C ATOM 1392 O LYS A 87 -13.964 -1.739 12.147 1.00 0.00 O ATOM 1393 CB LYS A 87 -12.017 -4.755 11.996 1.00 0.00 C ATOM 1394 CG LYS A 87 -12.309 -6.149 11.463 1.00 0.00 C ATOM 1395 CD LYS A 87 -13.534 -6.756 12.129 1.00 0.00 C ATOM 1396 CE LYS A 87 -13.835 -8.143 11.584 1.00 0.00 C ATOM 1397 NZ LYS A 87 -14.864 -8.848 12.397 1.00 0.00 N ATOM 1398 OXT LYS A 87 -11.983 -2.193 12.991 1.00 0.00 O ATOM 0 H LYS A 87 -11.193 -3.485 9.988 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.825 -4.019 11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.954 -4.546 11.880 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.232 -4.731 13.064 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.465 -6.102 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.446 -6.792 11.632 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.373 -6.814 13.205 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.395 -6.107 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.180 -8.061 10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.919 -8.733 11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.041 -9.790 11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.524 -8.949 13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.747 -8.298 12.392 1.00 0.00 H new