USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 857 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 68 SER OG : rot 123:sc= 0.169 USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= -0.0402 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= -0.433 USER MOD Set 2.2: A 23 HIS : no HD1:sc= -0.478 K(o=-0.91,f=0.23) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.168 (180deg=-1.24) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.832 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 91:sc= -0.883 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0538 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00368 USER MOD Single : A 17 SER OG : rot 180:sc= 0.00199 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.5! C(o=-1.5!,f=-6.3!) USER MOD Single : A 28 THR OG1 : rot 80:sc= -0.182 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 30 THR OG1 : rot -71:sc= 1.18 USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.067 (180deg=-0.36) USER MOD Single : A 33 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 140:sc= -0.092 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 45 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.9!) USER MOD Single : A 49 THR OG1 : rot -74:sc= 0.237 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -140:sc=-0.00855 (180deg=-2.18!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.527 K(o=0.53,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc=-0.00835 (180deg=-0.168) USER MOD Single : A 66 THR OG1 : rot -170:sc= -0.115 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 77:sc= 2.21 USER MOD Single : A 86 TYR OH : rot 180:sc= 0.608 USER MOD Single : A 91 ASN : amide:sc= -2.04! C(o=-2!,f=-14!) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HE2:sc= 0.461 K(o=0.46,f=-1.5!) USER MOD Single : A 103 HIS : no HD1:sc=-0.00829 X(o=-0.0083,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=-0.02) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 106 HIS : no HD1:sc= -0.0492 X(o=-0.049,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.429 3.241 4.747 1.00 0.00 N ATOM 2 CA MET A 1 -14.285 3.256 3.809 1.00 0.00 C ATOM 3 C MET A 1 -13.297 2.143 4.130 1.00 0.00 C ATOM 4 O MET A 1 -12.597 2.185 5.145 1.00 0.00 O ATOM 5 CB MET A 1 -13.565 4.599 3.865 1.00 0.00 C ATOM 6 CG MET A 1 -12.308 4.657 3.006 1.00 0.00 C ATOM 7 SD MET A 1 -11.476 6.252 3.107 1.00 0.00 S ATOM 8 CE MET A 1 -12.775 7.347 2.543 1.00 0.00 C ATOM 0 H1 MET A 1 -16.086 4.010 4.505 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.923 2.328 4.678 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.083 3.374 5.719 1.00 0.00 H new ATOM 0 HA MET A 1 -14.681 3.097 2.806 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.251 5.383 3.543 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.298 4.815 4.899 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.621 3.872 3.320 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.571 4.453 1.968 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.335 8.275 2.178 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.331 6.867 1.738 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.451 7.566 3.370 1.00 0.00 H new ATOM 20 N THR A 2 -13.262 1.143 3.269 1.00 0.00 N ATOM 21 CA THR A 2 -12.269 0.090 3.357 1.00 0.00 C ATOM 22 C THR A 2 -10.979 0.548 2.693 1.00 0.00 C ATOM 23 O THR A 2 -10.924 1.646 2.124 1.00 0.00 O ATOM 24 CB THR A 2 -12.771 -1.197 2.674 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.173 -0.909 1.328 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.940 -1.802 3.437 1.00 0.00 C ATOM 0 H THR A 2 -13.917 1.038 2.494 1.00 0.00 H new ATOM 0 HA THR A 2 -12.087 -0.125 4.410 1.00 0.00 H new ATOM 0 HB THR A 2 -11.954 -1.918 2.667 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.490 -1.731 0.898 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.274 -2.709 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.625 -2.046 4.452 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.760 -1.085 3.474 1.00 0.00 H new ATOM 34 N PHE A 3 -9.945 -0.276 2.756 1.00 0.00 N ATOM 35 CA PHE A 3 -8.684 0.057 2.117 1.00 0.00 C ATOM 36 C PHE A 3 -8.879 0.145 0.611 1.00 0.00 C ATOM 37 O PHE A 3 -8.321 1.022 -0.046 1.00 0.00 O ATOM 38 CB PHE A 3 -7.604 -0.973 2.458 1.00 0.00 C ATOM 39 CG PHE A 3 -6.252 -0.629 1.895 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.482 0.369 2.472 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.751 -1.301 0.790 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.238 0.687 1.958 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.509 -0.986 0.272 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.752 0.010 0.856 1.00 0.00 C ATOM 0 H PHE A 3 -9.954 -1.174 3.240 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.351 1.025 2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.526 -1.062 3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -7.910 -1.948 2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -5.857 0.904 3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.339 -2.080 0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.646 1.465 2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.131 -1.518 -0.588 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.782 0.259 0.452 1.00 0.00 H new ATOM 54 N SER A 4 -9.696 -0.757 0.075 1.00 0.00 N ATOM 55 CA SER A 4 -10.020 -0.757 -1.345 1.00 0.00 C ATOM 56 C SER A 4 -10.672 0.567 -1.753 1.00 0.00 C ATOM 57 O SER A 4 -10.301 1.166 -2.762 1.00 0.00 O ATOM 58 CB SER A 4 -10.955 -1.923 -1.665 1.00 0.00 C ATOM 59 OG SER A 4 -10.380 -3.157 -1.270 1.00 0.00 O ATOM 0 H SER A 4 -10.147 -1.501 0.608 1.00 0.00 H new ATOM 0 HA SER A 4 -9.096 -0.872 -1.911 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.907 -1.781 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.166 -1.942 -2.734 1.00 0.00 H new ATOM 0 HG SER A 4 -10.997 -3.888 -1.483 1.00 0.00 H new ATOM 65 N GLU A 5 -11.633 1.021 -0.951 1.00 0.00 N ATOM 66 CA GLU A 5 -12.338 2.265 -1.224 1.00 0.00 C ATOM 67 C GLU A 5 -11.384 3.454 -1.197 1.00 0.00 C ATOM 68 O GLU A 5 -11.416 4.311 -2.081 1.00 0.00 O ATOM 69 CB GLU A 5 -13.448 2.473 -0.201 1.00 0.00 C ATOM 70 CG GLU A 5 -14.574 1.461 -0.303 1.00 0.00 C ATOM 71 CD GLU A 5 -15.665 1.699 0.720 1.00 0.00 C ATOM 72 OE1 GLU A 5 -16.583 2.499 0.444 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.606 1.086 1.807 1.00 0.00 O ATOM 0 H GLU A 5 -11.940 0.542 -0.105 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.772 2.195 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.020 2.426 0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.860 3.474 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.004 1.501 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.169 0.458 -0.170 1.00 0.00 H new ATOM 80 N CYS A 6 -10.533 3.492 -0.178 1.00 0.00 N ATOM 81 CA CYS A 6 -9.575 4.578 0.000 1.00 0.00 C ATOM 82 C CYS A 6 -8.556 4.586 -1.130 1.00 0.00 C ATOM 83 O CYS A 6 -8.271 5.629 -1.721 1.00 0.00 O ATOM 84 CB CYS A 6 -8.861 4.421 1.340 1.00 0.00 C ATOM 85 SG CYS A 6 -7.784 5.805 1.772 1.00 0.00 S ATOM 0 H CYS A 6 -10.487 2.774 0.545 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.116 5.524 -0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.608 4.298 2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.268 3.507 1.318 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.460 6.686 2.448 1.00 0.00 H new ATOM 91 N ALA A 7 -8.012 3.414 -1.416 1.00 0.00 N ATOM 92 CA ALA A 7 -7.042 3.256 -2.499 1.00 0.00 C ATOM 93 C ALA A 7 -7.624 3.724 -3.827 1.00 0.00 C ATOM 94 O ALA A 7 -6.961 4.431 -4.589 1.00 0.00 O ATOM 95 CB ALA A 7 -6.591 1.807 -2.606 1.00 0.00 C ATOM 0 H ALA A 7 -8.224 2.552 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.177 3.877 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.870 1.709 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.127 1.500 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.453 1.172 -2.809 1.00 0.00 H new ATOM 101 N ALA A 8 -8.868 3.336 -4.094 1.00 0.00 N ATOM 102 CA ALA A 8 -9.555 3.742 -5.314 1.00 0.00 C ATOM 103 C ALA A 8 -9.693 5.256 -5.376 1.00 0.00 C ATOM 104 O ALA A 8 -9.473 5.866 -6.420 1.00 0.00 O ATOM 105 CB ALA A 8 -10.923 3.080 -5.402 1.00 0.00 C ATOM 0 H ALA A 8 -9.421 2.739 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.957 3.417 -6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.421 3.395 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.803 1.997 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.525 3.374 -4.543 1.00 0.00 H new ATOM 111 N LEU A 9 -10.048 5.859 -4.245 1.00 0.00 N ATOM 112 CA LEU A 9 -10.187 7.310 -4.157 1.00 0.00 C ATOM 113 C LEU A 9 -8.865 8.001 -4.453 1.00 0.00 C ATOM 114 O LEU A 9 -8.829 9.002 -5.161 1.00 0.00 O ATOM 115 CB LEU A 9 -10.687 7.727 -2.771 1.00 0.00 C ATOM 116 CG LEU A 9 -12.105 7.272 -2.429 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.480 7.710 -1.024 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.102 7.821 -3.437 1.00 0.00 C ATOM 0 H LEU A 9 -10.245 5.364 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.920 7.617 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.004 7.329 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.643 8.814 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.134 6.183 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.493 7.377 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.785 7.271 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.431 8.797 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.106 7.486 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.069 8.910 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.847 7.461 -4.434 1.00 0.00 H new ATOM 130 N TYR A 10 -7.784 7.454 -3.915 1.00 0.00 N ATOM 131 CA TYR A 10 -6.453 8.015 -4.117 1.00 0.00 C ATOM 132 C TYR A 10 -6.128 8.107 -5.604 1.00 0.00 C ATOM 133 O TYR A 10 -5.661 9.138 -6.087 1.00 0.00 O ATOM 134 CB TYR A 10 -5.410 7.143 -3.414 1.00 0.00 C ATOM 135 CG TYR A 10 -3.989 7.648 -3.548 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.528 8.687 -2.755 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.109 7.080 -4.461 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.232 9.149 -2.866 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.811 7.536 -4.579 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.377 8.572 -3.780 1.00 0.00 C ATOM 141 OH TYR A 10 -0.084 9.030 -3.892 1.00 0.00 O ATOM 0 H TYR A 10 -7.802 6.617 -3.332 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.433 9.019 -3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.662 7.076 -2.356 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.465 6.133 -3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.194 9.143 -2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.446 6.268 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.889 9.959 -2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.139 7.083 -5.293 1.00 0.00 H new ATOM 0 HH TYR A 10 0.387 8.516 -4.581 1.00 0.00 H new ATOM 151 N ILE A 11 -6.381 7.022 -6.310 1.00 0.00 N ATOM 152 CA ILE A 11 -6.092 6.940 -7.735 1.00 0.00 C ATOM 153 C ILE A 11 -7.062 7.798 -8.556 1.00 0.00 C ATOM 154 O ILE A 11 -6.642 8.624 -9.366 1.00 0.00 O ATOM 155 CB ILE A 11 -6.169 5.473 -8.207 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.128 4.636 -7.450 1.00 0.00 C ATOM 157 CG2 ILE A 11 -5.968 5.368 -9.716 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.261 3.147 -7.675 1.00 0.00 C ATOM 0 H ILE A 11 -6.791 6.174 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.084 7.323 -7.892 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.163 5.084 -7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.130 4.952 -7.754 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.216 4.842 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.027 4.323 -10.019 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.743 5.939 -10.227 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.989 5.768 -9.981 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.492 2.623 -7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.245 2.815 -7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.142 2.927 -8.736 1.00 0.00 H new ATOM 170 N LYS A 12 -8.359 7.624 -8.314 1.00 0.00 N ATOM 171 CA LYS A 12 -9.393 8.267 -9.126 1.00 0.00 C ATOM 172 C LYS A 12 -9.490 9.770 -8.880 1.00 0.00 C ATOM 173 O LYS A 12 -9.740 10.533 -9.811 1.00 0.00 O ATOM 174 CB LYS A 12 -10.753 7.606 -8.887 1.00 0.00 C ATOM 175 CG LYS A 12 -10.812 6.163 -9.370 1.00 0.00 C ATOM 176 CD LYS A 12 -12.160 5.522 -9.087 1.00 0.00 C ATOM 177 CE LYS A 12 -12.182 4.072 -9.547 1.00 0.00 C ATOM 178 NZ LYS A 12 -13.457 3.386 -9.209 1.00 0.00 N ATOM 0 H LYS A 12 -8.721 7.041 -7.560 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.100 8.131 -10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.982 7.635 -7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.525 8.184 -9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.613 6.131 -10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.027 5.585 -8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.373 5.572 -8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.946 6.080 -9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.028 4.034 -10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.352 3.536 -9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.421 2.402 -9.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.594 3.396 -8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.249 3.879 -9.669 1.00 0.00 H new ATOM 192 N ALA A 13 -9.280 10.206 -7.646 1.00 0.00 N ATOM 193 CA ALA A 13 -9.403 11.626 -7.320 1.00 0.00 C ATOM 194 C ALA A 13 -8.218 12.420 -7.856 1.00 0.00 C ATOM 195 O ALA A 13 -8.228 13.650 -7.851 1.00 0.00 O ATOM 196 CB ALA A 13 -9.538 11.824 -5.819 1.00 0.00 C ATOM 0 H ALA A 13 -9.026 9.608 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.306 12.000 -7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.628 12.888 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.426 11.303 -5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.656 11.423 -5.318 1.00 0.00 H new ATOM 202 N HIS A 14 -7.194 11.721 -8.323 1.00 0.00 N ATOM 203 CA HIS A 14 -6.017 12.389 -8.860 1.00 0.00 C ATOM 204 C HIS A 14 -5.848 12.110 -10.346 1.00 0.00 C ATOM 205 O HIS A 14 -4.960 12.672 -10.977 1.00 0.00 O ATOM 206 CB HIS A 14 -4.756 11.948 -8.113 1.00 0.00 C ATOM 207 CG HIS A 14 -4.665 12.445 -6.702 1.00 0.00 C ATOM 208 ND1 HIS A 14 -4.839 11.630 -5.606 1.00 0.00 N ATOM 209 CD2 HIS A 14 -4.398 13.676 -6.213 1.00 0.00 C ATOM 210 CE1 HIS A 14 -4.679 12.338 -4.502 1.00 0.00 C ATOM 211 NE2 HIS A 14 -4.411 13.583 -4.843 1.00 0.00 N ATOM 0 H HIS A 14 -7.153 10.702 -8.341 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.163 13.460 -8.722 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.716 10.859 -8.105 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.882 12.295 -8.664 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -5.057 10.634 -5.641 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.209 14.568 -6.792 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.755 11.961 -3.493 1.00 0.00 H new ATOM 220 N ARG A 15 -6.726 11.273 -10.908 1.00 0.00 N ATOM 221 CA ARG A 15 -6.562 10.775 -12.280 1.00 0.00 C ATOM 222 C ARG A 15 -6.507 11.906 -13.315 1.00 0.00 C ATOM 223 O ARG A 15 -6.066 11.700 -14.442 1.00 0.00 O ATOM 224 CB ARG A 15 -7.680 9.801 -12.650 1.00 0.00 C ATOM 225 CG ARG A 15 -9.056 10.432 -12.736 1.00 0.00 C ATOM 226 CD ARG A 15 -10.025 9.541 -13.497 1.00 0.00 C ATOM 227 NE ARG A 15 -9.625 9.381 -14.895 1.00 0.00 N ATOM 228 CZ ARG A 15 -9.548 8.212 -15.530 1.00 0.00 C ATOM 229 NH1 ARG A 15 -9.852 7.079 -14.905 1.00 0.00 N ATOM 230 NH2 ARG A 15 -9.166 8.177 -16.799 1.00 0.00 N ATOM 0 H ARG A 15 -7.559 10.925 -10.434 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.605 10.254 -12.301 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.443 9.342 -13.610 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.706 9.000 -11.912 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.438 10.614 -11.732 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.984 11.401 -13.231 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.074 8.563 -13.018 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.026 9.969 -13.451 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.389 10.223 -15.420 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.148 7.098 -13.929 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.789 6.190 -15.401 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.932 9.043 -17.285 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.106 7.284 -17.289 1.00 0.00 H new ATOM 244 N SER A 16 -6.973 13.085 -12.938 1.00 0.00 N ATOM 245 CA SER A 16 -6.912 14.246 -13.807 1.00 0.00 C ATOM 246 C SER A 16 -5.462 14.640 -14.083 1.00 0.00 C ATOM 247 O SER A 16 -5.045 14.758 -15.236 1.00 0.00 O ATOM 248 CB SER A 16 -7.670 15.399 -13.154 1.00 0.00 C ATOM 249 OG SER A 16 -8.883 14.943 -12.574 1.00 0.00 O ATOM 0 H SER A 16 -7.400 13.263 -12.029 1.00 0.00 H new ATOM 0 HA SER A 16 -7.376 14.005 -14.763 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.047 15.862 -12.388 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.884 16.167 -13.898 1.00 0.00 H new ATOM 0 HG SER A 16 -9.352 15.698 -12.160 1.00 0.00 H new ATOM 255 N SER A 17 -4.696 14.834 -13.021 1.00 0.00 N ATOM 256 CA SER A 17 -3.272 15.086 -13.145 1.00 0.00 C ATOM 257 C SER A 17 -2.576 13.777 -13.485 1.00 0.00 C ATOM 258 O SER A 17 -1.491 13.742 -14.065 1.00 0.00 O ATOM 259 CB SER A 17 -2.743 15.629 -11.821 1.00 0.00 C ATOM 260 OG SER A 17 -3.700 16.480 -11.211 1.00 0.00 O ATOM 0 H SER A 17 -5.040 14.821 -12.061 1.00 0.00 H new ATOM 0 HA SER A 17 -3.082 15.817 -13.931 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.505 14.802 -11.152 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.817 16.178 -11.991 1.00 0.00 H new ATOM 0 HG SER A 17 -3.344 16.817 -10.362 1.00 0.00 H new ATOM 266 N TRP A 18 -3.251 12.702 -13.128 1.00 0.00 N ATOM 267 CA TRP A 18 -2.745 11.357 -13.281 1.00 0.00 C ATOM 268 C TRP A 18 -3.191 10.720 -14.588 1.00 0.00 C ATOM 269 O TRP A 18 -3.721 9.607 -14.568 1.00 0.00 O ATOM 270 CB TRP A 18 -3.271 10.500 -12.146 1.00 0.00 C ATOM 271 CG TRP A 18 -2.280 10.161 -11.093 1.00 0.00 C ATOM 272 CD1 TRP A 18 -1.281 10.939 -10.595 1.00 0.00 C ATOM 273 CD2 TRP A 18 -2.232 8.931 -10.386 1.00 0.00 C ATOM 274 NE1 TRP A 18 -0.607 10.256 -9.608 1.00 0.00 N ATOM 275 CE2 TRP A 18 -1.177 9.014 -9.463 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.991 7.764 -10.453 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -0.863 7.963 -8.606 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.680 6.724 -9.606 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.626 6.828 -8.693 1.00 0.00 C ATOM 0 H TRP A 18 -4.183 12.742 -12.716 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.657 11.416 -13.275 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.109 11.019 -11.680 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.663 9.573 -12.564 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.051 11.942 -10.924 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.185 10.613 -9.073 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.807 7.677 -11.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.049 8.039 -7.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.259 5.813 -9.647 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.408 5.995 -8.041 1.00 0.00 H new ATOM 290 N LYS A 19 -3.027 11.431 -15.706 1.00 0.00 N ATOM 291 CA LYS A 19 -3.129 10.804 -17.018 1.00 0.00 C ATOM 292 C LYS A 19 -2.287 9.556 -16.948 1.00 0.00 C ATOM 293 O LYS A 19 -1.059 9.615 -17.019 1.00 0.00 O ATOM 294 CB LYS A 19 -2.685 11.765 -18.129 1.00 0.00 C ATOM 295 CG LYS A 19 -3.532 13.033 -18.184 1.00 0.00 C ATOM 296 CD LYS A 19 -5.005 12.705 -18.398 1.00 0.00 C ATOM 297 CE LYS A 19 -5.902 13.915 -18.179 1.00 0.00 C ATOM 298 NZ LYS A 19 -5.638 15.008 -19.151 1.00 0.00 N ATOM 0 H LYS A 19 -2.825 12.431 -15.726 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.159 10.548 -17.268 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.641 12.037 -17.973 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.741 11.254 -19.090 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.413 13.593 -17.257 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.179 13.674 -18.991 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.148 12.328 -19.411 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.301 11.908 -17.716 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.945 13.608 -18.258 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.756 14.292 -17.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.275 15.807 -18.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.651 15.323 -19.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.803 14.661 -20.117 1.00 0.00 H new ATOM 312 N ASN A 20 -2.937 8.405 -16.783 1.00 0.00 N ATOM 313 CA ASN A 20 -4.083 7.899 -17.580 1.00 0.00 C ATOM 314 C ASN A 20 -3.494 7.149 -18.762 1.00 0.00 C ATOM 315 O ASN A 20 -4.140 6.861 -19.769 1.00 0.00 O ATOM 316 CB ASN A 20 -5.068 8.980 -18.065 1.00 0.00 C ATOM 317 CG ASN A 20 -6.321 8.397 -18.704 1.00 0.00 C ATOM 318 OD1 ASN A 20 -6.768 7.309 -18.343 1.00 0.00 O ATOM 319 ND2 ASN A 20 -6.899 9.120 -19.654 1.00 0.00 N ATOM 0 H ASN A 20 -2.671 7.751 -16.047 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.687 7.262 -16.934 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.355 9.608 -17.221 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.565 9.625 -18.786 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.744 8.778 -20.112 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.499 10.018 -19.926 1.00 0.00 H new ATOM 326 N THR A 21 -2.222 6.830 -18.587 1.00 0.00 N ATOM 327 CA THR A 21 -1.581 5.754 -19.302 1.00 0.00 C ATOM 328 C THR A 21 -1.813 4.471 -18.506 1.00 0.00 C ATOM 329 O THR A 21 -2.659 4.448 -17.608 1.00 0.00 O ATOM 330 CB THR A 21 -0.069 6.012 -19.434 1.00 0.00 C ATOM 331 OG1 THR A 21 0.481 6.293 -18.138 1.00 0.00 O ATOM 332 CG2 THR A 21 0.211 7.176 -20.371 1.00 0.00 C ATOM 0 H THR A 21 -1.606 7.319 -17.938 1.00 0.00 H new ATOM 0 HA THR A 21 -1.997 5.674 -20.306 1.00 0.00 H new ATOM 0 HB THR A 21 0.397 5.120 -19.852 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.444 6.456 -18.220 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.287 7.334 -20.444 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.191 6.952 -21.359 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.262 8.078 -19.983 1.00 0.00 H new ATOM 340 N LYS A 22 -1.063 3.420 -18.790 1.00 0.00 N ATOM 341 CA LYS A 22 -1.214 2.176 -18.044 1.00 0.00 C ATOM 342 C LYS A 22 -0.631 2.277 -16.633 1.00 0.00 C ATOM 343 O LYS A 22 -0.762 1.345 -15.843 1.00 0.00 O ATOM 344 CB LYS A 22 -0.572 1.001 -18.782 1.00 0.00 C ATOM 345 CG LYS A 22 -1.302 0.600 -20.053 1.00 0.00 C ATOM 346 CD LYS A 22 -0.942 -0.818 -20.463 1.00 0.00 C ATOM 347 CE LYS A 22 -1.352 -1.812 -19.389 1.00 0.00 C ATOM 348 NZ LYS A 22 -0.933 -3.201 -19.708 1.00 0.00 N ATOM 0 H LYS A 22 -0.352 3.399 -19.521 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.286 1.998 -17.959 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.457 1.260 -19.032 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.531 0.142 -18.112 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.378 0.675 -19.898 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.047 1.291 -20.857 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.436 -1.066 -21.402 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.131 -0.889 -20.639 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.914 -1.514 -18.437 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.435 -1.782 -19.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.236 -3.839 -18.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.371 -3.499 -20.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.102 -3.239 -19.800 1.00 0.00 H new ATOM 362 N HIS A 23 0.003 3.401 -16.304 1.00 0.00 N ATOM 363 CA HIS A 23 0.604 3.559 -14.982 1.00 0.00 C ATOM 364 C HIS A 23 -0.473 3.623 -13.895 1.00 0.00 C ATOM 365 O HIS A 23 -0.243 3.202 -12.768 1.00 0.00 O ATOM 366 CB HIS A 23 1.549 4.775 -14.933 1.00 0.00 C ATOM 367 CG HIS A 23 0.941 6.065 -14.459 1.00 0.00 C ATOM 368 ND1 HIS A 23 1.062 6.513 -13.165 1.00 0.00 N ATOM 369 CD2 HIS A 23 0.240 7.013 -15.117 1.00 0.00 C ATOM 370 CE1 HIS A 23 0.467 7.682 -13.048 1.00 0.00 C ATOM 371 NE2 HIS A 23 -0.043 8.016 -14.219 1.00 0.00 N ATOM 0 H HIS A 23 0.113 4.204 -16.924 1.00 0.00 H new ATOM 0 HA HIS A 23 1.215 2.678 -14.783 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.388 4.531 -14.282 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.956 4.934 -15.932 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.046 6.988 -16.158 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.406 8.270 -12.144 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -0.559 8.872 -14.423 1.00 0.00 H new ATOM 380 N ALA A 24 -1.650 4.135 -14.248 1.00 0.00 N ATOM 381 CA ALA A 24 -2.782 4.165 -13.323 1.00 0.00 C ATOM 382 C ALA A 24 -3.293 2.747 -13.078 1.00 0.00 C ATOM 383 O ALA A 24 -3.676 2.389 -11.960 1.00 0.00 O ATOM 384 CB ALA A 24 -3.890 5.047 -13.877 1.00 0.00 C ATOM 0 H ALA A 24 -1.845 4.534 -15.166 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.453 4.585 -12.372 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.727 5.061 -13.179 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.514 6.061 -14.013 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.224 4.652 -14.836 1.00 0.00 H new ATOM 390 N ASP A 25 -3.288 1.943 -14.138 1.00 0.00 N ATOM 391 CA ASP A 25 -3.650 0.531 -14.047 1.00 0.00 C ATOM 392 C ASP A 25 -2.691 -0.195 -13.125 1.00 0.00 C ATOM 393 O ASP A 25 -3.108 -0.940 -12.247 1.00 0.00 O ATOM 394 CB ASP A 25 -3.614 -0.126 -15.427 1.00 0.00 C ATOM 395 CG ASP A 25 -3.992 -1.593 -15.392 1.00 0.00 C ATOM 396 OD1 ASP A 25 -5.202 -1.899 -15.391 1.00 0.00 O ATOM 397 OD2 ASP A 25 -3.084 -2.450 -15.396 1.00 0.00 O ATOM 0 H ASP A 25 -3.035 2.249 -15.078 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.662 0.466 -13.648 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.295 0.404 -16.094 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.613 -0.024 -15.846 1.00 0.00 H new ATOM 402 N GLN A 26 -1.404 0.059 -13.315 1.00 0.00 N ATOM 403 CA GLN A 26 -0.361 -0.588 -12.534 1.00 0.00 C ATOM 404 C GLN A 26 -0.526 -0.326 -11.041 1.00 0.00 C ATOM 405 O GLN A 26 -0.140 -1.152 -10.221 1.00 0.00 O ATOM 406 CB GLN A 26 1.011 -0.115 -13.003 1.00 0.00 C ATOM 407 CG GLN A 26 1.367 -0.565 -14.413 1.00 0.00 C ATOM 408 CD GLN A 26 1.560 -2.069 -14.532 1.00 0.00 C ATOM 409 OE1 GLN A 26 0.955 -2.856 -13.802 1.00 0.00 O ATOM 410 NE2 GLN A 26 2.412 -2.476 -15.453 1.00 0.00 N ATOM 0 H GLN A 26 -1.055 0.717 -14.012 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.447 -1.663 -12.690 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.044 0.974 -12.960 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.768 -0.484 -12.312 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.579 -0.251 -15.097 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.281 -0.062 -14.728 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.894 -1.794 -16.039 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.589 -3.473 -15.580 1.00 0.00 H new ATOM 419 N TRP A 27 -1.086 0.821 -10.688 1.00 0.00 N ATOM 420 CA TRP A 27 -1.372 1.122 -9.291 1.00 0.00 C ATOM 421 C TRP A 27 -2.578 0.331 -8.802 1.00 0.00 C ATOM 422 O TRP A 27 -2.515 -0.344 -7.778 1.00 0.00 O ATOM 423 CB TRP A 27 -1.623 2.617 -9.100 1.00 0.00 C ATOM 424 CG TRP A 27 -0.371 3.425 -8.943 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.531 3.748 -9.917 1.00 0.00 C ATOM 426 CD2 TRP A 27 0.110 4.024 -7.734 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.543 4.511 -9.386 1.00 0.00 N ATOM 428 CE2 TRP A 27 1.308 4.695 -8.048 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.357 4.058 -6.417 1.00 0.00 C ATOM 430 CZ2 TRP A 27 2.043 5.391 -7.090 1.00 0.00 C ATOM 431 CZ3 TRP A 27 0.372 4.750 -5.469 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.561 5.409 -5.808 1.00 0.00 C ATOM 0 H TRP A 27 -1.351 1.556 -11.344 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.501 0.832 -8.703 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.183 2.994 -9.956 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.250 2.761 -8.220 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.459 3.448 -10.952 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.340 4.881 -9.904 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.272 3.552 -6.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.960 5.898 -7.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 0.019 4.784 -4.449 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.108 5.941 -5.044 1.00 0.00 H new ATOM 443 N THR A 28 -3.664 0.411 -9.558 1.00 0.00 N ATOM 444 CA THR A 28 -4.916 -0.226 -9.178 1.00 0.00 C ATOM 445 C THR A 28 -4.788 -1.749 -9.187 1.00 0.00 C ATOM 446 O THR A 28 -5.180 -2.429 -8.237 1.00 0.00 O ATOM 447 CB THR A 28 -6.050 0.186 -10.143 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.017 1.604 -10.370 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.410 -0.210 -9.581 1.00 0.00 C ATOM 0 H THR A 28 -3.702 0.915 -10.444 1.00 0.00 H new ATOM 0 HA THR A 28 -5.154 0.105 -8.167 1.00 0.00 H new ATOM 0 HB THR A 28 -5.897 -0.335 -11.088 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.322 1.814 -11.028 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.193 0.090 -10.277 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.445 -1.290 -9.440 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.567 0.286 -8.623 1.00 0.00 H new ATOM 457 N ASN A 29 -4.207 -2.265 -10.258 1.00 0.00 N ATOM 458 CA ASN A 29 -4.158 -3.698 -10.514 1.00 0.00 C ATOM 459 C ASN A 29 -3.297 -4.437 -9.489 1.00 0.00 C ATOM 460 O ASN A 29 -3.724 -5.449 -8.933 1.00 0.00 O ATOM 461 CB ASN A 29 -3.621 -3.936 -11.929 1.00 0.00 C ATOM 462 CG ASN A 29 -3.785 -5.365 -12.403 1.00 0.00 C ATOM 463 OD1 ASN A 29 -4.663 -6.093 -11.941 1.00 0.00 O ATOM 464 ND2 ASN A 29 -2.954 -5.766 -13.355 1.00 0.00 N ATOM 0 H ASN A 29 -3.754 -1.701 -10.977 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.169 -4.095 -10.425 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.136 -3.270 -12.622 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.564 -3.671 -11.958 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.029 -6.711 -13.733 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.240 -5.130 -13.710 1.00 0.00 H new ATOM 471 N THR A 30 -2.097 -3.926 -9.228 1.00 0.00 N ATOM 472 CA THR A 30 -1.163 -4.601 -8.330 1.00 0.00 C ATOM 473 C THR A 30 -1.726 -4.709 -6.918 1.00 0.00 C ATOM 474 O THR A 30 -1.795 -5.803 -6.350 1.00 0.00 O ATOM 475 CB THR A 30 0.199 -3.885 -8.279 1.00 0.00 C ATOM 476 OG1 THR A 30 0.012 -2.493 -8.000 1.00 0.00 O ATOM 477 CG2 THR A 30 0.954 -4.054 -9.587 1.00 0.00 C ATOM 0 H THR A 30 -1.749 -3.052 -9.623 1.00 0.00 H new ATOM 0 HA THR A 30 -1.018 -5.603 -8.734 1.00 0.00 H new ATOM 0 HB THR A 30 0.790 -4.336 -7.482 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.385 -2.053 -8.781 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.912 -3.538 -9.523 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.124 -5.114 -9.775 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.368 -3.631 -10.403 1.00 0.00 H new ATOM 485 N ILE A 31 -2.146 -3.578 -6.366 1.00 0.00 N ATOM 486 CA ILE A 31 -2.671 -3.535 -5.009 1.00 0.00 C ATOM 487 C ILE A 31 -3.905 -4.416 -4.877 1.00 0.00 C ATOM 488 O ILE A 31 -4.016 -5.196 -3.929 1.00 0.00 O ATOM 489 CB ILE A 31 -3.014 -2.092 -4.572 1.00 0.00 C ATOM 490 CG1 ILE A 31 -1.766 -1.205 -4.648 1.00 0.00 C ATOM 491 CG2 ILE A 31 -3.593 -2.083 -3.162 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.027 0.246 -4.302 1.00 0.00 C ATOM 0 H ILE A 31 -2.133 -2.675 -6.840 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.887 -3.914 -4.353 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.766 -1.692 -5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.009 -1.600 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.353 -1.260 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.828 -1.059 -2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.501 -2.685 -3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.864 -2.499 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.098 0.811 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.760 0.659 -4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.411 0.314 -3.284 1.00 0.00 H new ATOM 504 N LYS A 32 -4.805 -4.315 -5.850 1.00 0.00 N ATOM 505 CA LYS A 32 -6.040 -5.089 -5.846 1.00 0.00 C ATOM 506 C LYS A 32 -5.747 -6.588 -5.831 1.00 0.00 C ATOM 507 O LYS A 32 -6.474 -7.370 -5.220 1.00 0.00 O ATOM 508 CB LYS A 32 -6.877 -4.749 -7.081 1.00 0.00 C ATOM 509 CG LYS A 32 -8.284 -5.319 -7.034 1.00 0.00 C ATOM 510 CD LYS A 32 -9.040 -5.074 -8.330 1.00 0.00 C ATOM 511 CE LYS A 32 -10.441 -5.664 -8.269 1.00 0.00 C ATOM 512 NZ LYS A 32 -10.419 -7.128 -7.988 1.00 0.00 N ATOM 0 H LYS A 32 -4.700 -3.700 -6.657 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.595 -4.832 -4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.936 -3.665 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.370 -5.126 -7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.235 -6.390 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.830 -4.869 -6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.102 -4.003 -8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.492 -5.516 -9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.015 -5.155 -7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.952 -5.484 -9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.356 -7.534 -8.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.708 -7.587 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.178 -7.286 -6.989 1.00 0.00 H new ATOM 526 N THR A 33 -4.676 -6.977 -6.503 1.00 0.00 N ATOM 527 CA THR A 33 -4.338 -8.387 -6.639 1.00 0.00 C ATOM 528 C THR A 33 -3.608 -8.916 -5.404 1.00 0.00 C ATOM 529 O THR A 33 -3.994 -9.934 -4.826 1.00 0.00 O ATOM 530 CB THR A 33 -3.474 -8.630 -7.894 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.118 -8.059 -9.041 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.255 -10.118 -8.132 1.00 0.00 C ATOM 0 H THR A 33 -4.026 -6.339 -6.962 1.00 0.00 H new ATOM 0 HA THR A 33 -5.278 -8.929 -6.741 1.00 0.00 H new ATOM 0 HB THR A 33 -2.505 -8.158 -7.734 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.078 -7.081 -8.986 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.643 -10.258 -9.023 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.748 -10.553 -7.271 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.218 -10.610 -8.272 1.00 0.00 H new ATOM 540 N TYR A 34 -2.556 -8.215 -4.998 1.00 0.00 N ATOM 541 CA TYR A 34 -1.706 -8.679 -3.907 1.00 0.00 C ATOM 542 C TYR A 34 -2.338 -8.433 -2.536 1.00 0.00 C ATOM 543 O TYR A 34 -2.401 -9.340 -1.708 1.00 0.00 O ATOM 544 CB TYR A 34 -0.329 -8.009 -3.968 1.00 0.00 C ATOM 545 CG TYR A 34 0.524 -8.455 -5.138 1.00 0.00 C ATOM 546 CD1 TYR A 34 1.297 -9.607 -5.057 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.562 -7.725 -6.320 1.00 0.00 C ATOM 548 CE1 TYR A 34 2.083 -10.015 -6.118 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.345 -8.128 -7.385 1.00 0.00 C ATOM 550 CZ TYR A 34 2.103 -9.272 -7.280 1.00 0.00 C ATOM 551 OH TYR A 34 2.886 -9.676 -8.338 1.00 0.00 O ATOM 0 H TYR A 34 -2.271 -7.325 -5.407 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.592 -9.755 -4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.464 -6.929 -4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.206 -8.218 -3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.283 -10.193 -4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.031 -6.827 -6.408 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.679 -10.912 -6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.362 -7.548 -8.296 1.00 0.00 H new ATOM 0 HH TYR A 34 2.785 -9.043 -9.080 1.00 0.00 H new ATOM 561 N CYS A 35 -2.810 -7.214 -2.301 1.00 0.00 N ATOM 562 CA CYS A 35 -3.289 -6.833 -0.973 1.00 0.00 C ATOM 563 C CYS A 35 -4.810 -6.806 -0.897 1.00 0.00 C ATOM 564 O CYS A 35 -5.381 -6.866 0.195 1.00 0.00 O ATOM 565 CB CYS A 35 -2.726 -5.465 -0.587 1.00 0.00 C ATOM 566 SG CYS A 35 -0.922 -5.390 -0.605 1.00 0.00 S ATOM 0 H CYS A 35 -2.872 -6.477 -3.004 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.938 -7.589 -0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.119 -4.714 -1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.082 -5.204 0.410 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.540 -4.252 -1.105 1.00 0.00 H new ATOM 572 N GLY A 36 -5.446 -6.726 -2.060 1.00 0.00 N ATOM 573 CA GLY A 36 -6.897 -6.624 -2.146 1.00 0.00 C ATOM 574 C GLY A 36 -7.639 -7.643 -1.298 1.00 0.00 C ATOM 575 O GLY A 36 -8.345 -7.265 -0.366 1.00 0.00 O ATOM 0 H GLY A 36 -4.974 -6.730 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.199 -5.623 -1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.198 -6.744 -3.187 1.00 0.00 H new ATOM 579 N PRO A 37 -7.504 -8.949 -1.595 1.00 0.00 N ATOM 580 CA PRO A 37 -8.221 -10.008 -0.868 1.00 0.00 C ATOM 581 C PRO A 37 -7.966 -9.994 0.642 1.00 0.00 C ATOM 582 O PRO A 37 -8.791 -10.473 1.420 1.00 0.00 O ATOM 583 CB PRO A 37 -7.670 -11.299 -1.477 1.00 0.00 C ATOM 584 CG PRO A 37 -7.168 -10.908 -2.821 1.00 0.00 C ATOM 585 CD PRO A 37 -6.660 -9.504 -2.675 1.00 0.00 C ATOM 0 HA PRO A 37 -9.300 -9.886 -0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.871 -11.715 -0.863 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.445 -12.062 -1.552 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.375 -11.578 -3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.962 -10.961 -3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.603 -9.484 -2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.768 -8.939 -3.601 1.00 0.00 H new ATOM 593 N VAL A 38 -6.835 -9.431 1.055 1.00 0.00 N ATOM 594 CA VAL A 38 -6.439 -9.476 2.456 1.00 0.00 C ATOM 595 C VAL A 38 -6.867 -8.212 3.204 1.00 0.00 C ATOM 596 O VAL A 38 -7.811 -8.246 3.994 1.00 0.00 O ATOM 597 CB VAL A 38 -4.917 -9.676 2.616 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.567 -9.942 4.073 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.426 -10.811 1.729 1.00 0.00 C ATOM 0 H VAL A 38 -6.181 -8.942 0.444 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.951 -10.334 2.891 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.415 -8.761 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.490 -10.081 4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.879 -9.094 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.080 -10.842 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.351 -10.934 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.933 -11.735 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.642 -10.578 0.686 1.00 0.00 H new ATOM 609 N ILE A 39 -6.186 -7.098 2.943 1.00 0.00 N ATOM 610 CA ILE A 39 -6.425 -5.869 3.698 1.00 0.00 C ATOM 611 C ILE A 39 -7.414 -4.952 2.989 1.00 0.00 C ATOM 612 O ILE A 39 -7.780 -3.901 3.512 1.00 0.00 O ATOM 613 CB ILE A 39 -5.118 -5.090 3.972 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.396 -4.758 2.660 1.00 0.00 C ATOM 615 CG2 ILE A 39 -4.212 -5.887 4.902 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.147 -3.918 2.846 1.00 0.00 C ATOM 0 H ILE A 39 -5.470 -7.020 2.221 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.851 -6.183 4.651 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.373 -4.150 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.126 -5.688 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.084 -4.229 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.296 -5.326 5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.725 -6.063 5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.966 -6.843 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.691 -3.724 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.412 -2.972 3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.439 -4.454 3.479 1.00 0.00 H new ATOM 628 N GLY A 40 -7.840 -5.368 1.807 1.00 0.00 N ATOM 629 CA GLY A 40 -8.810 -4.615 1.035 1.00 0.00 C ATOM 630 C GLY A 40 -10.094 -4.334 1.799 1.00 0.00 C ATOM 631 O GLY A 40 -10.425 -3.175 2.042 1.00 0.00 O ATOM 0 H GLY A 40 -7.525 -6.229 1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.364 -3.670 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.049 -5.167 0.126 1.00 0.00 H new ATOM 635 N PRO A 41 -10.852 -5.382 2.185 1.00 0.00 N ATOM 636 CA PRO A 41 -12.127 -5.216 2.898 1.00 0.00 C ATOM 637 C PRO A 41 -11.952 -4.741 4.341 1.00 0.00 C ATOM 638 O PRO A 41 -12.929 -4.601 5.081 1.00 0.00 O ATOM 639 CB PRO A 41 -12.731 -6.622 2.866 1.00 0.00 C ATOM 640 CG PRO A 41 -11.557 -7.533 2.777 1.00 0.00 C ATOM 641 CD PRO A 41 -10.528 -6.806 1.961 1.00 0.00 C ATOM 0 HA PRO A 41 -12.750 -4.451 2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.320 -6.821 3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.396 -6.748 2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.172 -7.770 3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.831 -8.477 2.307 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.516 -7.043 2.288 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.592 -7.071 0.906 1.00 0.00 H new ATOM 649 N LEU A 42 -10.713 -4.491 4.738 1.00 0.00 N ATOM 650 CA LEU A 42 -10.433 -3.982 6.068 1.00 0.00 C ATOM 651 C LEU A 42 -10.580 -2.465 6.082 1.00 0.00 C ATOM 652 O LEU A 42 -10.406 -1.809 5.053 1.00 0.00 O ATOM 653 CB LEU A 42 -9.024 -4.380 6.517 1.00 0.00 C ATOM 654 CG LEU A 42 -8.740 -5.887 6.545 1.00 0.00 C ATOM 655 CD1 LEU A 42 -7.330 -6.152 7.050 1.00 0.00 C ATOM 656 CD2 LEU A 42 -9.756 -6.613 7.412 1.00 0.00 C ATOM 0 H LEU A 42 -9.887 -4.633 4.157 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.149 -4.419 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.302 -3.904 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.852 -3.977 7.515 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.825 -6.268 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.144 -7.226 7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.610 -5.668 6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.224 -5.752 8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.534 -7.680 7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.706 -6.228 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.757 -6.452 7.012 1.00 0.00 H new ATOM 668 N SER A 43 -10.917 -1.912 7.233 1.00 0.00 N ATOM 669 CA SER A 43 -11.085 -0.473 7.358 1.00 0.00 C ATOM 670 C SER A 43 -9.745 0.235 7.220 1.00 0.00 C ATOM 671 O SER A 43 -8.714 -0.295 7.627 1.00 0.00 O ATOM 672 CB SER A 43 -11.704 -0.133 8.713 1.00 0.00 C ATOM 673 OG SER A 43 -11.914 1.263 8.846 1.00 0.00 O ATOM 0 H SER A 43 -11.080 -2.435 8.094 1.00 0.00 H new ATOM 0 HA SER A 43 -11.748 -0.135 6.562 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.653 -0.658 8.824 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.050 -0.483 9.512 1.00 0.00 H new ATOM 0 HG SER A 43 -12.312 1.452 9.721 1.00 0.00 H new ATOM 679 N VAL A 44 -9.761 1.438 6.663 1.00 0.00 N ATOM 680 CA VAL A 44 -8.547 2.234 6.547 1.00 0.00 C ATOM 681 C VAL A 44 -8.040 2.624 7.943 1.00 0.00 C ATOM 682 O VAL A 44 -6.857 2.893 8.140 1.00 0.00 O ATOM 683 CB VAL A 44 -8.773 3.494 5.672 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.804 4.424 6.293 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.462 4.228 5.419 1.00 0.00 C ATOM 0 H VAL A 44 -10.598 1.883 6.286 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.789 1.627 6.052 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.164 3.160 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.938 5.297 5.654 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.754 3.899 6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.460 4.744 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.650 5.107 4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.029 4.537 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.768 3.565 4.903 1.00 0.00 H new ATOM 695 N GLN A 45 -8.951 2.621 8.913 1.00 0.00 N ATOM 696 CA GLN A 45 -8.607 2.866 10.303 1.00 0.00 C ATOM 697 C GLN A 45 -8.082 1.588 10.956 1.00 0.00 C ATOM 698 O GLN A 45 -7.331 1.631 11.930 1.00 0.00 O ATOM 699 CB GLN A 45 -9.844 3.355 11.054 1.00 0.00 C ATOM 700 CG GLN A 45 -10.222 4.800 10.770 1.00 0.00 C ATOM 701 CD GLN A 45 -9.345 5.794 11.509 1.00 0.00 C ATOM 702 OE1 GLN A 45 -8.173 5.535 11.782 1.00 0.00 O ATOM 703 NE2 GLN A 45 -9.913 6.941 11.844 1.00 0.00 N ATOM 0 H GLN A 45 -9.944 2.449 8.754 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.827 3.626 10.345 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.687 2.714 10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.673 3.241 12.124 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.150 4.986 9.698 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.263 4.961 11.052 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.887 7.118 11.600 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.377 7.648 12.347 1.00 0.00 H new ATOM 712 N ASP A 46 -8.486 0.454 10.400 1.00 0.00 N ATOM 713 CA ASP A 46 -8.155 -0.848 10.970 1.00 0.00 C ATOM 714 C ASP A 46 -6.802 -1.353 10.469 1.00 0.00 C ATOM 715 O ASP A 46 -6.126 -2.118 11.153 1.00 0.00 O ATOM 716 CB ASP A 46 -9.259 -1.849 10.627 1.00 0.00 C ATOM 717 CG ASP A 46 -9.028 -3.214 11.238 1.00 0.00 C ATOM 718 OD1 ASP A 46 -9.005 -3.318 12.483 1.00 0.00 O ATOM 719 OD2 ASP A 46 -8.892 -4.192 10.475 1.00 0.00 O ATOM 0 H ASP A 46 -9.047 0.408 9.549 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.082 -0.741 12.052 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.216 -1.459 10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.328 -1.949 9.544 1.00 0.00 H new ATOM 724 N VAL A 47 -6.414 -0.914 9.272 1.00 0.00 N ATOM 725 CA VAL A 47 -5.133 -1.301 8.680 1.00 0.00 C ATOM 726 C VAL A 47 -3.967 -0.975 9.616 1.00 0.00 C ATOM 727 O VAL A 47 -3.705 0.192 9.923 1.00 0.00 O ATOM 728 CB VAL A 47 -4.901 -0.611 7.314 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.537 -0.973 6.747 1.00 0.00 C ATOM 730 CG2 VAL A 47 -5.994 -0.990 6.327 1.00 0.00 C ATOM 0 H VAL A 47 -6.971 -0.287 8.691 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.175 -2.379 8.524 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.934 0.467 7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.398 -0.476 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.758 -0.651 7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.475 -2.052 6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.811 -0.494 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.993 -2.070 6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.962 -0.678 6.719 1.00 0.00 H new ATOM 740 N ASP A 48 -3.287 -2.020 10.072 1.00 0.00 N ATOM 741 CA ASP A 48 -2.146 -1.876 10.966 1.00 0.00 C ATOM 742 C ASP A 48 -0.944 -2.624 10.398 1.00 0.00 C ATOM 743 O ASP A 48 -1.080 -3.412 9.459 1.00 0.00 O ATOM 744 CB ASP A 48 -2.504 -2.395 12.368 1.00 0.00 C ATOM 745 CG ASP A 48 -1.341 -2.363 13.344 1.00 0.00 C ATOM 746 OD1 ASP A 48 -1.024 -1.276 13.864 1.00 0.00 O ATOM 747 OD2 ASP A 48 -0.736 -3.430 13.590 1.00 0.00 O ATOM 0 H ASP A 48 -3.510 -2.986 9.834 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.886 -0.821 11.050 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.321 -1.796 12.770 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.870 -3.419 12.285 1.00 0.00 H new ATOM 752 N THR A 49 0.221 -2.371 10.973 1.00 0.00 N ATOM 753 CA THR A 49 1.471 -2.952 10.501 1.00 0.00 C ATOM 754 C THR A 49 1.431 -4.482 10.545 1.00 0.00 C ATOM 755 O THR A 49 1.956 -5.148 9.653 1.00 0.00 O ATOM 756 CB THR A 49 2.659 -2.438 11.336 1.00 0.00 C ATOM 757 OG1 THR A 49 2.616 -1.006 11.403 1.00 0.00 O ATOM 758 CG2 THR A 49 3.982 -2.875 10.725 1.00 0.00 C ATOM 0 H THR A 49 0.328 -1.757 11.780 1.00 0.00 H new ATOM 0 HA THR A 49 1.602 -2.643 9.464 1.00 0.00 H new ATOM 0 HB THR A 49 2.583 -2.860 12.338 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.891 -0.630 10.541 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.805 -2.500 11.333 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.024 -3.964 10.689 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.066 -2.475 9.714 1.00 0.00 H new ATOM 766 N LYS A 50 0.777 -5.029 11.566 1.00 0.00 N ATOM 767 CA LYS A 50 0.651 -6.468 11.718 1.00 0.00 C ATOM 768 C LYS A 50 -0.106 -7.082 10.542 1.00 0.00 C ATOM 769 O LYS A 50 0.284 -8.123 10.013 1.00 0.00 O ATOM 770 CB LYS A 50 -0.061 -6.779 13.032 1.00 0.00 C ATOM 771 CG LYS A 50 0.878 -7.150 14.170 1.00 0.00 C ATOM 772 CD LYS A 50 1.485 -8.529 13.961 1.00 0.00 C ATOM 773 CE LYS A 50 0.440 -9.626 14.103 1.00 0.00 C ATOM 774 NZ LYS A 50 0.997 -10.973 13.816 1.00 0.00 N ATOM 0 H LYS A 50 0.324 -4.489 12.304 1.00 0.00 H new ATOM 0 HA LYS A 50 1.649 -6.907 11.734 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.650 -5.911 13.329 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.761 -7.599 12.869 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.673 -6.408 14.244 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.334 -7.130 15.114 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.937 -8.582 12.971 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.283 -8.690 14.685 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.035 -9.610 15.115 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.389 -9.426 13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.250 -11.688 13.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.361 -10.998 12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.771 -11.177 14.480 1.00 0.00 H new ATOM 788 N LEU A 51 -1.176 -6.419 10.127 1.00 0.00 N ATOM 789 CA LEU A 51 -1.973 -6.873 8.999 1.00 0.00 C ATOM 790 C LEU A 51 -1.156 -6.768 7.716 1.00 0.00 C ATOM 791 O LEU A 51 -1.227 -7.624 6.832 1.00 0.00 O ATOM 792 CB LEU A 51 -3.240 -6.022 8.892 1.00 0.00 C ATOM 793 CG LEU A 51 -4.079 -5.939 10.168 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.305 -5.071 9.943 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.482 -7.328 10.636 1.00 0.00 C ATOM 0 H LEU A 51 -1.513 -5.559 10.559 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.257 -7.914 9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.956 -5.012 8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.862 -6.425 8.093 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.473 -5.480 10.949 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.890 -5.023 10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.992 -4.066 9.659 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.913 -5.500 9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.078 -7.247 11.545 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.069 -7.817 9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.588 -7.917 10.840 1.00 0.00 H new ATOM 807 N ILE A 52 -0.376 -5.703 7.637 1.00 0.00 N ATOM 808 CA ILE A 52 0.500 -5.456 6.503 1.00 0.00 C ATOM 809 C ILE A 52 1.555 -6.557 6.357 1.00 0.00 C ATOM 810 O ILE A 52 1.924 -6.931 5.236 1.00 0.00 O ATOM 811 CB ILE A 52 1.165 -4.066 6.645 1.00 0.00 C ATOM 812 CG1 ILE A 52 0.161 -2.978 6.253 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.442 -3.957 5.825 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.707 -1.571 6.350 1.00 0.00 C ATOM 0 H ILE A 52 -0.332 -4.984 8.359 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.103 -5.467 5.595 1.00 0.00 H new ATOM 0 HB ILE A 52 1.454 -3.929 7.687 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.172 -3.157 5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.717 -3.061 6.894 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.874 -2.965 5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.155 -4.710 6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.213 -4.118 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.065 -0.860 6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.014 -1.370 7.376 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.567 -1.468 5.688 1.00 0.00 H new ATOM 826 N MET A 53 2.023 -7.079 7.484 1.00 0.00 N ATOM 827 CA MET A 53 3.007 -8.158 7.488 1.00 0.00 C ATOM 828 C MET A 53 2.410 -9.440 6.918 1.00 0.00 C ATOM 829 O MET A 53 3.061 -10.143 6.145 1.00 0.00 O ATOM 830 CB MET A 53 3.515 -8.422 8.906 1.00 0.00 C ATOM 831 CG MET A 53 4.287 -7.264 9.515 1.00 0.00 C ATOM 832 SD MET A 53 4.819 -7.600 11.205 1.00 0.00 S ATOM 833 CE MET A 53 5.686 -6.083 11.597 1.00 0.00 C ATOM 0 H MET A 53 1.736 -6.771 8.413 1.00 0.00 H new ATOM 0 HA MET A 53 3.842 -7.845 6.861 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.665 -8.655 9.547 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.155 -9.304 8.893 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.160 -7.050 8.899 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.663 -6.370 9.505 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.586 -6.315 12.166 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.961 -5.572 10.674 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.039 -5.437 12.190 1.00 0.00 H new ATOM 843 N LYS A 54 1.167 -9.722 7.296 1.00 0.00 N ATOM 844 CA LYS A 54 0.476 -10.936 6.866 1.00 0.00 C ATOM 845 C LYS A 54 0.425 -11.039 5.345 1.00 0.00 C ATOM 846 O LYS A 54 0.583 -12.123 4.783 1.00 0.00 O ATOM 847 CB LYS A 54 -0.944 -10.973 7.439 1.00 0.00 C ATOM 848 CG LYS A 54 -0.982 -11.068 8.954 1.00 0.00 C ATOM 849 CD LYS A 54 -2.406 -11.063 9.490 1.00 0.00 C ATOM 850 CE LYS A 54 -3.235 -12.200 8.910 1.00 0.00 C ATOM 851 NZ LYS A 54 -4.538 -12.341 9.606 1.00 0.00 N ATOM 0 H LYS A 54 0.612 -9.121 7.905 1.00 0.00 H new ATOM 0 HA LYS A 54 1.039 -11.789 7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.478 -10.076 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.476 -11.825 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.478 -11.980 9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.430 -10.232 9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.385 -11.147 10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.880 -10.111 9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.407 -12.020 7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.678 -13.133 8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.074 -13.125 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.374 -12.538 10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.080 -11.459 9.509 1.00 0.00 H new ATOM 865 N VAL A 55 0.215 -9.906 4.688 1.00 0.00 N ATOM 866 CA VAL A 55 0.130 -9.867 3.233 1.00 0.00 C ATOM 867 C VAL A 55 1.494 -10.121 2.595 1.00 0.00 C ATOM 868 O VAL A 55 1.600 -10.810 1.584 1.00 0.00 O ATOM 869 CB VAL A 55 -0.399 -8.509 2.730 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.671 -8.555 1.234 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.646 -8.097 3.490 1.00 0.00 C ATOM 0 H VAL A 55 0.100 -8.999 5.140 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.566 -10.654 2.942 1.00 0.00 H new ATOM 0 HB VAL A 55 0.371 -7.760 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.043 -7.586 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.252 -8.790 0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.416 -9.322 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.999 -7.136 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.423 -8.849 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.413 -8.010 4.551 1.00 0.00 H new ATOM 881 N LEU A 56 2.538 -9.570 3.203 1.00 0.00 N ATOM 882 CA LEU A 56 3.880 -9.630 2.631 1.00 0.00 C ATOM 883 C LEU A 56 4.541 -10.982 2.870 1.00 0.00 C ATOM 884 O LEU A 56 5.453 -11.359 2.137 1.00 0.00 O ATOM 885 CB LEU A 56 4.765 -8.520 3.202 1.00 0.00 C ATOM 886 CG LEU A 56 4.405 -7.105 2.757 1.00 0.00 C ATOM 887 CD1 LEU A 56 5.397 -6.108 3.326 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.367 -7.013 1.236 1.00 0.00 C ATOM 0 H LEU A 56 2.482 -9.076 4.093 1.00 0.00 H new ATOM 0 HA LEU A 56 3.771 -9.489 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.718 -8.564 4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.798 -8.720 2.919 1.00 0.00 H new ATOM 0 HG LEU A 56 3.412 -6.864 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.129 -5.103 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.376 -6.155 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.399 -6.349 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.109 -5.996 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.346 -7.271 0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.620 -7.705 0.848 1.00 0.00 H new ATOM 900 N ASP A 57 4.082 -11.692 3.897 1.00 0.00 N ATOM 901 CA ASP A 57 4.665 -12.982 4.294 1.00 0.00 C ATOM 902 C ASP A 57 4.915 -13.904 3.092 1.00 0.00 C ATOM 903 O ASP A 57 6.046 -14.341 2.880 1.00 0.00 O ATOM 904 CB ASP A 57 3.769 -13.684 5.322 1.00 0.00 C ATOM 905 CG ASP A 57 4.502 -14.762 6.095 1.00 0.00 C ATOM 906 OD1 ASP A 57 5.298 -14.418 6.991 1.00 0.00 O ATOM 907 OD2 ASP A 57 4.283 -15.960 5.816 1.00 0.00 O ATOM 0 H ASP A 57 3.299 -11.396 4.479 1.00 0.00 H new ATOM 0 HA ASP A 57 5.633 -12.768 4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.376 -12.945 6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.914 -14.126 4.811 1.00 0.00 H new ATOM 912 N PRO A 58 3.886 -14.204 2.270 1.00 0.00 N ATOM 913 CA PRO A 58 4.059 -15.056 1.090 1.00 0.00 C ATOM 914 C PRO A 58 4.727 -14.325 -0.080 1.00 0.00 C ATOM 915 O PRO A 58 5.169 -14.952 -1.046 1.00 0.00 O ATOM 916 CB PRO A 58 2.626 -15.440 0.726 1.00 0.00 C ATOM 917 CG PRO A 58 1.800 -14.293 1.194 1.00 0.00 C ATOM 918 CD PRO A 58 2.479 -13.772 2.430 1.00 0.00 C ATOM 0 HA PRO A 58 4.711 -15.904 1.297 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.517 -15.595 -0.347 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.328 -16.368 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.736 -13.520 0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.780 -14.610 1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.400 -12.687 2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.034 -14.186 3.335 1.00 0.00 H new ATOM 926 N ILE A 59 4.804 -13.000 0.005 1.00 0.00 N ATOM 927 CA ILE A 59 5.367 -12.197 -1.073 1.00 0.00 C ATOM 928 C ILE A 59 6.891 -12.154 -0.990 1.00 0.00 C ATOM 929 O ILE A 59 7.565 -12.237 -2.013 1.00 0.00 O ATOM 930 CB ILE A 59 4.807 -10.757 -1.068 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.280 -10.788 -1.173 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.401 -9.946 -2.215 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.639 -9.416 -1.224 1.00 0.00 C ATOM 0 H ILE A 59 4.483 -12.461 0.809 1.00 0.00 H new ATOM 0 HA ILE A 59 5.075 -12.676 -2.007 1.00 0.00 H new ATOM 0 HB ILE A 59 5.087 -10.278 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.999 -11.343 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.878 -11.334 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.994 -8.935 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.485 -9.903 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.149 -10.419 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.557 -9.523 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.888 -8.864 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.010 -8.873 -2.093 1.00 0.00 H new ATOM 945 N TRP A 60 7.427 -12.047 0.228 1.00 0.00 N ATOM 946 CA TRP A 60 8.880 -12.013 0.433 1.00 0.00 C ATOM 947 C TRP A 60 9.544 -13.261 -0.136 1.00 0.00 C ATOM 948 O TRP A 60 10.708 -13.234 -0.535 1.00 0.00 O ATOM 949 CB TRP A 60 9.224 -11.891 1.924 1.00 0.00 C ATOM 950 CG TRP A 60 8.947 -10.540 2.507 1.00 0.00 C ATOM 951 CD1 TRP A 60 7.976 -10.216 3.406 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.661 -9.328 2.237 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.037 -8.879 3.709 1.00 0.00 N ATOM 954 CE2 TRP A 60 9.063 -8.313 3.004 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.745 -9.004 1.416 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.511 -6.997 2.978 1.00 0.00 C ATOM 957 CZ3 TRP A 60 11.193 -7.696 1.394 1.00 0.00 C ATOM 958 CH2 TRP A 60 10.575 -6.707 2.171 1.00 0.00 C ATOM 0 H TRP A 60 6.880 -11.982 1.086 1.00 0.00 H new ATOM 0 HA TRP A 60 9.259 -11.137 -0.093 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.656 -12.638 2.479 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.279 -12.125 2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.261 -10.911 3.821 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.418 -8.388 4.354 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.223 -9.760 0.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.035 -6.232 3.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 12.033 -7.432 0.768 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.948 -5.694 2.131 1.00 0.00 H new ATOM 969 N GLU A 61 8.789 -14.349 -0.170 1.00 0.00 N ATOM 970 CA GLU A 61 9.267 -15.611 -0.681 1.00 0.00 C ATOM 971 C GLU A 61 9.475 -15.558 -2.190 1.00 0.00 C ATOM 972 O GLU A 61 10.313 -16.275 -2.739 1.00 0.00 O ATOM 973 CB GLU A 61 8.239 -16.686 -0.355 1.00 0.00 C ATOM 974 CG GLU A 61 8.015 -16.900 1.133 1.00 0.00 C ATOM 975 CD GLU A 61 9.278 -17.295 1.864 1.00 0.00 C ATOM 976 OE1 GLU A 61 9.664 -18.482 1.810 1.00 0.00 O ATOM 977 OE2 GLU A 61 9.902 -16.417 2.494 1.00 0.00 O ATOM 0 H GLU A 61 7.824 -14.374 0.159 1.00 0.00 H new ATOM 0 HA GLU A 61 10.227 -15.835 -0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.290 -16.419 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.559 -17.627 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.618 -15.984 1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.261 -17.674 1.275 1.00 0.00 H new ATOM 984 N GLN A 62 8.706 -14.709 -2.851 1.00 0.00 N ATOM 985 CA GLN A 62 8.675 -14.667 -4.300 1.00 0.00 C ATOM 986 C GLN A 62 9.282 -13.377 -4.856 1.00 0.00 C ATOM 987 O GLN A 62 10.183 -13.419 -5.697 1.00 0.00 O ATOM 988 CB GLN A 62 7.232 -14.824 -4.769 1.00 0.00 C ATOM 989 CG GLN A 62 6.625 -16.169 -4.397 1.00 0.00 C ATOM 990 CD GLN A 62 5.153 -16.265 -4.728 1.00 0.00 C ATOM 991 OE1 GLN A 62 4.779 -16.661 -5.832 1.00 0.00 O ATOM 992 NE2 GLN A 62 4.307 -15.917 -3.772 1.00 0.00 N ATOM 0 H GLN A 62 8.089 -14.034 -2.400 1.00 0.00 H new ATOM 0 HA GLN A 62 9.284 -15.488 -4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.627 -14.027 -4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.193 -14.702 -5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.162 -16.961 -4.920 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.764 -16.341 -3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.660 -15.594 -2.871 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.302 -15.972 -3.936 1.00 0.00 H new ATOM 1001 N LYS A 63 8.803 -12.234 -4.381 1.00 0.00 N ATOM 1002 CA LYS A 63 9.239 -10.947 -4.911 1.00 0.00 C ATOM 1003 C LYS A 63 9.633 -9.999 -3.782 1.00 0.00 C ATOM 1004 O LYS A 63 8.824 -9.188 -3.328 1.00 0.00 O ATOM 1005 CB LYS A 63 8.140 -10.312 -5.766 1.00 0.00 C ATOM 1006 CG LYS A 63 7.622 -11.213 -6.876 1.00 0.00 C ATOM 1007 CD LYS A 63 6.649 -10.480 -7.783 1.00 0.00 C ATOM 1008 CE LYS A 63 6.033 -11.413 -8.814 1.00 0.00 C ATOM 1009 NZ LYS A 63 7.065 -12.129 -9.613 1.00 0.00 N ATOM 0 H LYS A 63 8.114 -12.171 -3.631 1.00 0.00 H new ATOM 0 HA LYS A 63 10.113 -11.124 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.307 -10.033 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.523 -9.392 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.461 -11.584 -7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.130 -12.082 -6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.859 -10.029 -7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.167 -9.666 -8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.398 -12.141 -8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.391 -10.839 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.611 -12.606 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.767 -11.447 -9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.539 -12.836 -9.015 1.00 0.00 H new ATOM 1023 N PRO A 64 10.879 -10.110 -3.298 1.00 0.00 N ATOM 1024 CA PRO A 64 11.392 -9.272 -2.208 1.00 0.00 C ATOM 1025 C PRO A 64 11.312 -7.780 -2.516 1.00 0.00 C ATOM 1026 O PRO A 64 10.752 -7.009 -1.736 1.00 0.00 O ATOM 1027 CB PRO A 64 12.853 -9.709 -2.068 1.00 0.00 C ATOM 1028 CG PRO A 64 12.908 -11.073 -2.663 1.00 0.00 C ATOM 1029 CD PRO A 64 11.881 -11.086 -3.760 1.00 0.00 C ATOM 0 HA PRO A 64 10.804 -9.401 -1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.521 -9.024 -2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.162 -9.722 -1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.902 -11.288 -3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.690 -11.835 -1.915 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.312 -10.797 -4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.446 -12.077 -3.892 1.00 0.00 H new ATOM 1037 N GLU A 65 11.864 -7.373 -3.656 1.00 0.00 N ATOM 1038 CA GLU A 65 11.873 -5.964 -4.038 1.00 0.00 C ATOM 1039 C GLU A 65 10.450 -5.431 -4.170 1.00 0.00 C ATOM 1040 O GLU A 65 10.145 -4.318 -3.741 1.00 0.00 O ATOM 1041 CB GLU A 65 12.616 -5.774 -5.357 1.00 0.00 C ATOM 1042 CG GLU A 65 12.832 -4.317 -5.730 1.00 0.00 C ATOM 1043 CD GLU A 65 13.323 -4.141 -7.149 1.00 0.00 C ATOM 1044 OE1 GLU A 65 14.414 -4.646 -7.475 1.00 0.00 O ATOM 1045 OE2 GLU A 65 12.613 -3.500 -7.949 1.00 0.00 O ATOM 0 H GLU A 65 12.309 -7.997 -4.329 1.00 0.00 H new ATOM 0 HA GLU A 65 12.387 -5.406 -3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.584 -6.271 -5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.057 -6.265 -6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.896 -3.772 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.554 -3.874 -5.043 1.00 0.00 H new ATOM 1052 N THR A 66 9.580 -6.251 -4.737 1.00 0.00 N ATOM 1053 CA THR A 66 8.212 -5.847 -5.015 1.00 0.00 C ATOM 1054 C THR A 66 7.425 -5.640 -3.726 1.00 0.00 C ATOM 1055 O THR A 66 6.588 -4.743 -3.641 1.00 0.00 O ATOM 1056 CB THR A 66 7.512 -6.891 -5.901 1.00 0.00 C ATOM 1057 OG1 THR A 66 8.293 -7.107 -7.082 1.00 0.00 O ATOM 1058 CG2 THR A 66 6.112 -6.439 -6.289 1.00 0.00 C ATOM 0 H THR A 66 9.800 -7.207 -5.015 1.00 0.00 H new ATOM 0 HA THR A 66 8.247 -4.897 -5.548 1.00 0.00 H new ATOM 0 HB THR A 66 7.422 -7.818 -5.335 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.780 -7.647 -7.719 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.645 -7.199 -6.915 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.515 -6.292 -5.389 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.172 -5.501 -6.841 1.00 0.00 H new ATOM 1066 N ALA A 67 7.711 -6.457 -2.724 1.00 0.00 N ATOM 1067 CA ALA A 67 7.050 -6.342 -1.432 1.00 0.00 C ATOM 1068 C ALA A 67 7.263 -4.954 -0.832 1.00 0.00 C ATOM 1069 O ALA A 67 6.317 -4.310 -0.374 1.00 0.00 O ATOM 1070 CB ALA A 67 7.559 -7.416 -0.483 1.00 0.00 C ATOM 0 H ALA A 67 8.398 -7.209 -2.780 1.00 0.00 H new ATOM 0 HA ALA A 67 5.980 -6.485 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.057 -7.319 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.352 -8.400 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.634 -7.300 -0.345 1.00 0.00 H new ATOM 1076 N SER A 68 8.505 -4.495 -0.860 1.00 0.00 N ATOM 1077 CA SER A 68 8.857 -3.191 -0.317 1.00 0.00 C ATOM 1078 C SER A 68 8.314 -2.066 -1.202 1.00 0.00 C ATOM 1079 O SER A 68 7.723 -1.102 -0.710 1.00 0.00 O ATOM 1080 CB SER A 68 10.380 -3.092 -0.193 1.00 0.00 C ATOM 1081 OG SER A 68 10.772 -1.994 0.612 1.00 0.00 O ATOM 0 H SER A 68 9.291 -5.010 -1.256 1.00 0.00 H new ATOM 0 HA SER A 68 8.406 -3.082 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.771 -4.015 0.236 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.820 -2.991 -1.185 1.00 0.00 H new ATOM 0 HG SER A 68 11.319 -2.315 1.359 1.00 0.00 H new ATOM 1087 N ARG A 69 8.488 -2.206 -2.514 1.00 0.00 N ATOM 1088 CA ARG A 69 8.043 -1.197 -3.464 1.00 0.00 C ATOM 1089 C ARG A 69 6.521 -1.048 -3.447 1.00 0.00 C ATOM 1090 O ARG A 69 5.991 0.045 -3.655 1.00 0.00 O ATOM 1091 CB ARG A 69 8.533 -1.558 -4.863 1.00 0.00 C ATOM 1092 CG ARG A 69 10.040 -1.447 -5.022 1.00 0.00 C ATOM 1093 CD ARG A 69 10.484 -1.755 -6.445 1.00 0.00 C ATOM 1094 NE ARG A 69 10.030 -0.744 -7.400 1.00 0.00 N ATOM 1095 CZ ARG A 69 10.453 -0.662 -8.661 1.00 0.00 C ATOM 1096 NH1 ARG A 69 11.317 -1.549 -9.149 1.00 0.00 N ATOM 1097 NH2 ARG A 69 9.996 0.309 -9.437 1.00 0.00 N ATOM 0 H ARG A 69 8.937 -3.015 -2.943 1.00 0.00 H new ATOM 0 HA ARG A 69 8.468 -0.237 -3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.225 -2.577 -5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.049 -0.905 -5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.361 -0.441 -4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.530 -2.134 -4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.572 -1.820 -6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.097 -2.730 -6.741 1.00 0.00 H new ATOM 0 HE ARG A 69 9.346 -0.058 -7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.663 -2.303 -8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.633 -1.475 -10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.327 0.985 -9.068 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.313 0.381 -10.404 1.00 0.00 H new ATOM 1111 N LEU A 70 5.822 -2.149 -3.192 1.00 0.00 N ATOM 1112 CA LEU A 70 4.369 -2.125 -3.088 1.00 0.00 C ATOM 1113 C LEU A 70 3.943 -1.340 -1.852 1.00 0.00 C ATOM 1114 O LEU A 70 2.953 -0.607 -1.872 1.00 0.00 O ATOM 1115 CB LEU A 70 3.813 -3.552 -3.033 1.00 0.00 C ATOM 1116 CG LEU A 70 2.289 -3.662 -2.976 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.651 -3.003 -4.191 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.874 -5.121 -2.873 1.00 0.00 C ATOM 0 H LEU A 70 6.239 -3.069 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 70 3.964 -1.632 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.167 -4.095 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.229 -4.052 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 70 1.937 -3.136 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.567 -3.095 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.925 -1.948 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.004 -3.494 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.787 -5.188 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.239 -5.666 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.298 -5.557 -1.968 1.00 0.00 H new ATOM 1130 N ARG A 71 4.710 -1.485 -0.779 1.00 0.00 N ATOM 1131 CA ARG A 71 4.447 -0.765 0.453 1.00 0.00 C ATOM 1132 C ARG A 71 4.684 0.729 0.274 1.00 0.00 C ATOM 1133 O ARG A 71 3.957 1.550 0.834 1.00 0.00 O ATOM 1134 CB ARG A 71 5.305 -1.320 1.586 1.00 0.00 C ATOM 1135 CG ARG A 71 4.841 -2.687 2.056 1.00 0.00 C ATOM 1136 CD ARG A 71 3.339 -2.698 2.302 1.00 0.00 C ATOM 1137 NE ARG A 71 2.857 -4.001 2.758 1.00 0.00 N ATOM 1138 CZ ARG A 71 1.855 -4.665 2.184 1.00 0.00 C ATOM 1139 NH1 ARG A 71 1.316 -4.210 1.064 1.00 0.00 N ATOM 1140 NH2 ARG A 71 1.410 -5.798 2.715 1.00 0.00 N ATOM 0 H ARG A 71 5.523 -2.099 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 71 3.398 -0.906 0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.341 -1.387 1.253 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.285 -0.625 2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.096 -3.438 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.365 -2.958 2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.090 -1.941 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.821 -2.424 1.383 1.00 0.00 H new ATOM 0 HE ARG A 71 3.315 -4.427 3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.668 -3.351 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.549 -4.718 0.624 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.836 -6.164 3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.642 -6.302 2.271 1.00 0.00 H new ATOM 1154 N GLY A 72 5.688 1.071 -0.525 1.00 0.00 N ATOM 1155 CA GLY A 72 5.976 2.465 -0.812 1.00 0.00 C ATOM 1156 C GLY A 72 4.811 3.166 -1.487 1.00 0.00 C ATOM 1157 O GLY A 72 4.621 4.370 -1.317 1.00 0.00 O ATOM 0 H GLY A 72 6.311 0.405 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.220 2.982 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.856 2.528 -1.453 1.00 0.00 H new ATOM 1161 N ARG A 73 4.036 2.411 -2.262 1.00 0.00 N ATOM 1162 CA ARG A 73 2.839 2.944 -2.906 1.00 0.00 C ATOM 1163 C ARG A 73 1.754 3.194 -1.861 1.00 0.00 C ATOM 1164 O ARG A 73 1.132 4.255 -1.826 1.00 0.00 O ATOM 1165 CB ARG A 73 2.307 1.969 -3.961 1.00 0.00 C ATOM 1166 CG ARG A 73 3.347 1.502 -4.964 1.00 0.00 C ATOM 1167 CD ARG A 73 2.732 0.546 -5.974 1.00 0.00 C ATOM 1168 NE ARG A 73 3.742 -0.148 -6.773 1.00 0.00 N ATOM 1169 CZ ARG A 73 3.566 -0.509 -8.043 1.00 0.00 C ATOM 1170 NH1 ARG A 73 2.453 -0.173 -8.687 1.00 0.00 N ATOM 1171 NH2 ARG A 73 4.505 -1.203 -8.672 1.00 0.00 N ATOM 0 H ARG A 73 4.216 1.427 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 73 3.105 3.881 -3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.890 1.098 -3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.489 2.447 -4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.771 2.362 -5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.167 1.009 -4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.120 -0.188 -5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.067 1.100 -6.636 1.00 0.00 H new ATOM 0 HE ARG A 73 4.634 -0.369 -6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.729 0.364 -8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.323 -0.452 -9.660 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.362 -1.461 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.370 -1.479 -9.645 1.00 0.00 H new ATOM 1185 N ILE A 74 1.550 2.197 -1.005 1.00 0.00 N ATOM 1186 CA ILE A 74 0.537 2.259 0.043 1.00 0.00 C ATOM 1187 C ILE A 74 0.818 3.400 1.022 1.00 0.00 C ATOM 1188 O ILE A 74 -0.111 4.060 1.495 1.00 0.00 O ATOM 1189 CB ILE A 74 0.440 0.917 0.800 1.00 0.00 C ATOM 1190 CG1 ILE A 74 -0.041 -0.178 -0.157 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.495 1.036 1.999 1.00 0.00 C ATOM 1192 CD1 ILE A 74 -0.232 -1.526 0.500 1.00 0.00 C ATOM 0 H ILE A 74 2.081 1.326 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.420 2.454 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 74 1.428 0.651 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.985 0.134 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.679 -0.279 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.547 0.078 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.116 1.797 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.491 1.318 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.573 -2.247 -0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.715 -1.862 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.975 -1.442 1.293 1.00 0.00 H new ATOM 1204 N GLU A 75 2.097 3.627 1.314 1.00 0.00 N ATOM 1205 CA GLU A 75 2.510 4.724 2.187 1.00 0.00 C ATOM 1206 C GLU A 75 1.905 6.037 1.715 1.00 0.00 C ATOM 1207 O GLU A 75 1.327 6.781 2.506 1.00 0.00 O ATOM 1208 CB GLU A 75 4.032 4.860 2.187 1.00 0.00 C ATOM 1209 CG GLU A 75 4.537 5.953 3.112 1.00 0.00 C ATOM 1210 CD GLU A 75 5.798 6.612 2.603 1.00 0.00 C ATOM 1211 OE1 GLU A 75 5.698 7.497 1.722 1.00 0.00 O ATOM 1212 OE2 GLU A 75 6.892 6.266 3.079 1.00 0.00 O ATOM 0 H GLU A 75 2.868 3.063 0.957 1.00 0.00 H new ATOM 0 HA GLU A 75 2.160 4.500 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.475 3.909 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.371 5.067 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.761 6.708 3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.726 5.530 4.099 1.00 0.00 H new ATOM 1219 N SER A 76 2.026 6.295 0.419 1.00 0.00 N ATOM 1220 CA SER A 76 1.509 7.515 -0.181 1.00 0.00 C ATOM 1221 C SER A 76 -0.013 7.586 -0.063 1.00 0.00 C ATOM 1222 O SER A 76 -0.577 8.654 0.177 1.00 0.00 O ATOM 1223 CB SER A 76 1.942 7.584 -1.645 1.00 0.00 C ATOM 1224 OG SER A 76 3.359 7.545 -1.752 1.00 0.00 O ATOM 0 H SER A 76 2.483 5.667 -0.242 1.00 0.00 H new ATOM 0 HA SER A 76 1.918 8.371 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.508 6.751 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.563 8.500 -2.099 1.00 0.00 H new ATOM 0 HG SER A 76 3.617 7.588 -2.696 1.00 0.00 H new ATOM 1230 N VAL A 77 -0.670 6.440 -0.210 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.123 6.376 -0.115 1.00 0.00 C ATOM 1232 C VAL A 77 -2.581 6.674 1.311 1.00 0.00 C ATOM 1233 O VAL A 77 -3.465 7.502 1.531 1.00 0.00 O ATOM 1234 CB VAL A 77 -2.664 4.994 -0.546 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.185 4.961 -0.484 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.174 4.638 -1.942 1.00 0.00 C ATOM 0 H VAL A 77 -0.219 5.544 -0.395 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.522 7.130 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.282 4.249 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.540 3.978 -0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.512 5.162 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.593 5.720 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.566 3.662 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.520 5.389 -2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.084 4.608 -1.948 1.00 0.00 H new ATOM 1246 N LEU A 78 -1.961 6.005 2.277 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.310 6.183 3.681 1.00 0.00 C ATOM 1248 C LEU A 78 -1.937 7.579 4.169 1.00 0.00 C ATOM 1249 O LEU A 78 -2.617 8.147 5.023 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.626 5.119 4.543 1.00 0.00 C ATOM 1251 CG LEU A 78 -2.070 3.681 4.264 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.329 2.708 5.166 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.573 3.538 4.454 1.00 0.00 C ATOM 0 H LEU A 78 -1.212 5.333 2.112 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.390 6.069 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.549 5.187 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.815 5.345 5.592 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.828 3.445 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.658 1.691 4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.257 2.788 4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.539 2.946 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.869 2.509 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.836 3.796 5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.092 4.207 3.767 1.00 0.00 H new ATOM 1265 N ASP A 79 -0.857 8.126 3.622 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.419 9.475 3.972 1.00 0.00 C ATOM 1267 C ASP A 79 -1.460 10.490 3.520 1.00 0.00 C ATOM 1268 O ASP A 79 -1.876 11.358 4.288 1.00 0.00 O ATOM 1269 CB ASP A 79 0.936 9.775 3.324 1.00 0.00 C ATOM 1270 CG ASP A 79 1.497 11.124 3.721 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.910 11.279 4.892 1.00 0.00 O ATOM 1272 OD2 ASP A 79 1.542 12.032 2.864 1.00 0.00 O ATOM 0 H ASP A 79 -0.268 7.657 2.934 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.308 9.544 5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.646 8.996 3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.830 9.737 2.240 1.00 0.00 H new ATOM 1277 N TRP A 80 -1.902 10.347 2.274 1.00 0.00 N ATOM 1278 CA TRP A 80 -2.964 11.181 1.723 1.00 0.00 C ATOM 1279 C TRP A 80 -4.251 11.010 2.527 1.00 0.00 C ATOM 1280 O TRP A 80 -4.928 11.987 2.851 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.188 10.823 0.248 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.443 11.391 -0.351 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.642 12.664 -0.803 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -5.671 10.685 -0.580 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.921 12.794 -1.295 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.572 11.591 -1.167 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.092 9.374 -0.341 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -7.870 11.224 -1.520 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -7.378 9.014 -0.690 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.253 9.935 -1.274 1.00 0.00 C ATOM 0 H TRP A 80 -1.536 9.654 1.621 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.667 12.228 1.788 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.334 11.174 -0.331 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.214 9.738 0.151 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.905 13.453 -0.778 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.320 13.645 -1.690 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -5.423 8.655 0.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.548 11.933 -1.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -7.714 8.004 -0.509 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.253 9.621 -1.536 1.00 0.00 H new ATOM 1301 N ALA A 81 -4.572 9.765 2.859 1.00 0.00 N ATOM 1302 CA ALA A 81 -5.768 9.455 3.636 1.00 0.00 C ATOM 1303 C ALA A 81 -5.738 10.139 5.000 1.00 0.00 C ATOM 1304 O ALA A 81 -6.774 10.562 5.517 1.00 0.00 O ATOM 1305 CB ALA A 81 -5.910 7.951 3.805 1.00 0.00 C ATOM 0 H ALA A 81 -4.017 8.949 2.601 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.631 9.835 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.806 7.733 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.990 7.481 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.036 7.559 4.325 1.00 0.00 H new ATOM 1311 N THR A 82 -4.548 10.250 5.576 1.00 0.00 N ATOM 1312 CA THR A 82 -4.385 10.896 6.867 1.00 0.00 C ATOM 1313 C THR A 82 -4.681 12.390 6.761 1.00 0.00 C ATOM 1314 O THR A 82 -5.398 12.950 7.586 1.00 0.00 O ATOM 1315 CB THR A 82 -2.960 10.687 7.420 1.00 0.00 C ATOM 1316 OG1 THR A 82 -2.650 9.287 7.444 1.00 0.00 O ATOM 1317 CG2 THR A 82 -2.827 11.258 8.826 1.00 0.00 C ATOM 0 H THR A 82 -3.682 9.900 5.167 1.00 0.00 H new ATOM 0 HA THR A 82 -5.095 10.438 7.556 1.00 0.00 H new ATOM 0 HB THR A 82 -2.263 11.211 6.766 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.437 8.984 6.537 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.812 11.096 9.190 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.039 12.327 8.806 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.534 10.760 9.489 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.153 13.023 5.716 1.00 0.00 N ATOM 1326 CA VAL A 83 -4.369 14.449 5.492 1.00 0.00 C ATOM 1327 C VAL A 83 -5.839 14.722 5.168 1.00 0.00 C ATOM 1328 O VAL A 83 -6.395 15.758 5.542 1.00 0.00 O ATOM 1329 CB VAL A 83 -3.477 14.982 4.348 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -3.658 16.485 4.165 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.016 14.652 4.614 1.00 0.00 C ATOM 0 H VAL A 83 -3.572 12.570 5.011 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.098 14.971 6.410 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.784 14.490 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.018 16.832 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.699 16.699 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.386 16.999 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.402 15.035 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.703 15.113 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.894 13.571 4.684 1.00 0.00 H new ATOM 1341 N ARG A 84 -6.464 13.777 4.477 1.00 0.00 N ATOM 1342 CA ARG A 84 -7.879 13.875 4.135 1.00 0.00 C ATOM 1343 C ARG A 84 -8.764 13.658 5.356 1.00 0.00 C ATOM 1344 O ARG A 84 -9.967 13.912 5.310 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.229 12.856 3.055 1.00 0.00 C ATOM 1346 CG ARG A 84 -7.708 13.223 1.681 1.00 0.00 C ATOM 1347 CD ARG A 84 -8.445 14.421 1.116 1.00 0.00 C ATOM 1348 NE ARG A 84 -9.866 14.139 0.906 1.00 0.00 N ATOM 1349 CZ ARG A 84 -10.824 15.062 0.967 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -10.526 16.311 1.301 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -12.084 14.736 0.711 1.00 0.00 N ATOM 0 H ARG A 84 -6.010 12.928 4.140 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.062 14.882 3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.825 11.885 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.313 12.749 3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.642 13.444 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.820 12.373 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.339 15.266 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.990 14.714 0.170 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.139 13.178 0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.561 16.566 1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.262 17.016 1.347 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.322 13.775 0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.814 15.446 0.759 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.169 13.190 6.442 1.00 0.00 N ATOM 1366 CA GLY A 85 -8.916 12.974 7.661 1.00 0.00 C ATOM 1367 C GLY A 85 -9.711 11.685 7.637 1.00 0.00 C ATOM 1368 O GLY A 85 -10.733 11.567 8.312 1.00 0.00 O ATOM 0 H GLY A 85 -7.178 12.955 6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.228 12.956 8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.595 13.812 7.820 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.248 10.717 6.854 1.00 0.00 N ATOM 1373 CA TYR A 86 -9.899 9.412 6.800 1.00 0.00 C ATOM 1374 C TYR A 86 -9.407 8.546 7.948 1.00 0.00 C ATOM 1375 O TYR A 86 -10.147 7.726 8.490 1.00 0.00 O ATOM 1376 CB TYR A 86 -9.630 8.710 5.461 1.00 0.00 C ATOM 1377 CG TYR A 86 -10.084 9.492 4.248 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -11.149 10.385 4.317 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -9.447 9.329 3.024 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -11.558 11.095 3.202 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -9.850 10.032 1.907 1.00 0.00 C ATOM 1382 CZ TYR A 86 -10.905 10.914 2.000 1.00 0.00 C ATOM 1383 OH TYR A 86 -11.304 11.625 0.886 1.00 0.00 O ATOM 0 H TYR A 86 -8.430 10.809 6.252 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.975 9.563 6.891 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.561 8.515 5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.131 7.742 5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.664 10.526 5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.620 8.639 2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.384 11.787 3.272 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.341 9.892 0.965 1.00 0.00 H new ATOM 0 HH TYR A 86 -10.740 11.381 0.123 1.00 0.00 H new ATOM 1393 N ARG A 87 -8.150 8.752 8.316 1.00 0.00 N ATOM 1394 CA ARG A 87 -7.526 8.028 9.413 1.00 0.00 C ATOM 1395 C ARG A 87 -6.514 8.920 10.117 1.00 0.00 C ATOM 1396 O ARG A 87 -5.971 9.844 9.511 1.00 0.00 O ATOM 1397 CB ARG A 87 -6.840 6.753 8.909 1.00 0.00 C ATOM 1398 CG ARG A 87 -6.025 6.948 7.639 1.00 0.00 C ATOM 1399 CD ARG A 87 -4.711 6.189 7.698 1.00 0.00 C ATOM 1400 NE ARG A 87 -3.693 6.950 8.413 1.00 0.00 N ATOM 1401 CZ ARG A 87 -2.887 6.454 9.348 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -2.954 5.174 9.706 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -2.002 7.245 9.931 1.00 0.00 N ATOM 0 H ARG A 87 -7.534 9.426 7.862 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.305 7.741 10.119 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.186 6.371 9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.599 5.992 8.728 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.603 6.610 6.779 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.827 8.010 7.492 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.864 5.229 8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.366 5.976 6.686 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.591 7.937 8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.632 4.555 9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.328 4.812 10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.941 8.227 9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.380 6.873 10.649 1.00 0.00 H new ATOM 1417 N GLU A 88 -6.262 8.642 11.391 1.00 0.00 N ATOM 1418 CA GLU A 88 -5.325 9.433 12.176 1.00 0.00 C ATOM 1419 C GLU A 88 -4.193 8.556 12.696 1.00 0.00 C ATOM 1420 O GLU A 88 -4.218 7.332 12.541 1.00 0.00 O ATOM 1421 CB GLU A 88 -6.034 10.099 13.358 1.00 0.00 C ATOM 1422 CG GLU A 88 -7.139 11.063 12.962 1.00 0.00 C ATOM 1423 CD GLU A 88 -7.739 11.764 14.162 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -8.544 11.138 14.880 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -7.396 12.940 14.403 1.00 0.00 O ATOM 0 H GLU A 88 -6.695 7.873 11.902 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.914 10.206 11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.456 9.323 13.997 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.296 10.636 13.954 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.741 11.805 12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.921 10.520 12.431 1.00 0.00 H new ATOM 1432 N GLY A 89 -3.205 9.184 13.312 1.00 0.00 N ATOM 1433 CA GLY A 89 -2.102 8.450 13.892 1.00 0.00 C ATOM 1434 C GLY A 89 -0.923 8.351 12.951 1.00 0.00 C ATOM 1435 O GLY A 89 -0.826 9.109 11.983 1.00 0.00 O ATOM 0 H GLY A 89 -3.148 10.197 13.421 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.788 8.938 14.815 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.436 7.448 14.160 1.00 0.00 H new ATOM 1439 N ASP A 90 -0.030 7.415 13.232 1.00 0.00 N ATOM 1440 CA ASP A 90 1.151 7.207 12.405 1.00 0.00 C ATOM 1441 C ASP A 90 0.822 6.237 11.274 1.00 0.00 C ATOM 1442 O ASP A 90 -0.254 5.633 11.265 1.00 0.00 O ATOM 1443 CB ASP A 90 2.300 6.660 13.257 1.00 0.00 C ATOM 1444 CG ASP A 90 3.661 6.915 12.639 1.00 0.00 C ATOM 1445 OD1 ASP A 90 4.132 6.078 11.848 1.00 0.00 O ATOM 1446 OD2 ASP A 90 4.271 7.956 12.957 1.00 0.00 O ATOM 0 H ASP A 90 -0.100 6.784 14.030 1.00 0.00 H new ATOM 0 HA ASP A 90 1.460 8.160 11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.263 7.117 14.246 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.164 5.588 13.397 1.00 0.00 H new ATOM 1451 N ASN A 91 1.734 6.086 10.328 1.00 0.00 N ATOM 1452 CA ASN A 91 1.498 5.218 9.183 1.00 0.00 C ATOM 1453 C ASN A 91 1.978 3.805 9.527 1.00 0.00 C ATOM 1454 O ASN A 91 3.038 3.637 10.124 1.00 0.00 O ATOM 1455 CB ASN A 91 2.261 5.790 7.967 1.00 0.00 C ATOM 1456 CG ASN A 91 1.925 5.135 6.635 1.00 0.00 C ATOM 1457 OD1 ASN A 91 1.624 3.954 6.554 1.00 0.00 O ATOM 1458 ND2 ASN A 91 1.980 5.915 5.567 1.00 0.00 N ATOM 0 H ASN A 91 2.642 6.551 10.329 1.00 0.00 H new ATOM 0 HA ASN A 91 0.437 5.170 8.938 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.051 6.857 7.894 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.331 5.687 8.146 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.768 5.533 4.645 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.234 6.898 5.666 1.00 0.00 H new ATOM 1465 N PRO A 92 1.213 2.766 9.158 1.00 0.00 N ATOM 1466 CA PRO A 92 1.602 1.381 9.415 1.00 0.00 C ATOM 1467 C PRO A 92 2.499 0.783 8.329 1.00 0.00 C ATOM 1468 O PRO A 92 3.056 -0.302 8.508 1.00 0.00 O ATOM 1469 CB PRO A 92 0.256 0.664 9.455 1.00 0.00 C ATOM 1470 CG PRO A 92 -0.604 1.425 8.504 1.00 0.00 C ATOM 1471 CD PRO A 92 -0.132 2.857 8.553 1.00 0.00 C ATOM 0 HA PRO A 92 2.197 1.289 10.324 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.353 -0.379 9.154 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.165 0.667 10.460 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.517 1.022 7.495 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.654 1.353 8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.093 3.299 7.558 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.799 3.477 9.152 1.00 0.00 H new ATOM 1479 N ALA A 93 2.646 1.489 7.214 1.00 0.00 N ATOM 1480 CA ALA A 93 3.390 0.970 6.071 1.00 0.00 C ATOM 1481 C ALA A 93 4.861 1.373 6.108 1.00 0.00 C ATOM 1482 O ALA A 93 5.615 1.058 5.189 1.00 0.00 O ATOM 1483 CB ALA A 93 2.749 1.442 4.774 1.00 0.00 C ATOM 0 H ALA A 93 2.260 2.423 7.076 1.00 0.00 H new ATOM 0 HA ALA A 93 3.351 -0.118 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.311 1.050 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.721 1.083 4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.755 2.531 4.740 1.00 0.00 H new ATOM 1489 N ARG A 94 5.265 2.061 7.166 1.00 0.00 N ATOM 1490 CA ARG A 94 6.650 2.487 7.306 1.00 0.00 C ATOM 1491 C ARG A 94 7.397 1.592 8.286 1.00 0.00 C ATOM 1492 O ARG A 94 6.808 1.043 9.219 1.00 0.00 O ATOM 1493 CB ARG A 94 6.741 3.968 7.718 1.00 0.00 C ATOM 1494 CG ARG A 94 5.693 4.437 8.729 1.00 0.00 C ATOM 1495 CD ARG A 94 6.244 4.552 10.146 1.00 0.00 C ATOM 1496 NE ARG A 94 6.483 3.252 10.766 1.00 0.00 N ATOM 1497 CZ ARG A 94 6.022 2.911 11.970 1.00 0.00 C ATOM 1498 NH1 ARG A 94 5.198 3.725 12.622 1.00 0.00 N ATOM 1499 NH2 ARG A 94 6.361 1.742 12.507 1.00 0.00 N ATOM 0 H ARG A 94 4.656 2.335 7.937 1.00 0.00 H new ATOM 0 HA ARG A 94 7.130 2.390 6.332 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.731 4.150 8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.656 4.582 6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.303 5.406 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.855 3.740 8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.176 5.116 10.124 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.543 5.119 10.759 1.00 0.00 H new ATOM 0 HE ARG A 94 7.033 2.566 10.249 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.918 4.611 12.201 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.846 3.464 13.543 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.974 1.105 11.998 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.008 1.482 13.428 1.00 0.00 H new ATOM 1513 N TRP A 95 8.695 1.447 8.075 1.00 0.00 N ATOM 1514 CA TRP A 95 9.503 0.562 8.896 1.00 0.00 C ATOM 1515 C TRP A 95 10.701 1.276 9.497 1.00 0.00 C ATOM 1516 O TRP A 95 11.547 1.812 8.782 1.00 0.00 O ATOM 1517 CB TRP A 95 9.972 -0.637 8.079 1.00 0.00 C ATOM 1518 CG TRP A 95 9.106 -1.837 8.275 1.00 0.00 C ATOM 1519 CD1 TRP A 95 9.007 -2.579 9.411 1.00 0.00 C ATOM 1520 CD2 TRP A 95 8.219 -2.434 7.325 1.00 0.00 C ATOM 1521 NE1 TRP A 95 8.118 -3.606 9.231 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.619 -3.540 7.958 1.00 0.00 C ATOM 1523 CE3 TRP A 95 7.874 -2.144 6.001 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 6.697 -4.355 7.313 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 6.955 -2.955 5.363 1.00 0.00 C ATOM 1526 CH2 TRP A 95 6.376 -4.048 6.019 1.00 0.00 C ATOM 0 H TRP A 95 9.212 1.932 7.341 1.00 0.00 H new ATOM 0 HA TRP A 95 8.874 0.221 9.718 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.984 -0.370 7.022 1.00 0.00 H new ATOM 0 HB3 TRP A 95 10.997 -0.883 8.357 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.551 -2.386 10.324 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.869 -4.305 9.931 1.00 0.00 H new ATOM 0 HE3 TRP A 95 8.317 -1.303 5.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.250 -5.200 7.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.679 -2.742 4.341 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.661 -4.662 5.492 1.00 0.00 H new ATOM 1537 N ARG A 96 10.755 1.289 10.820 1.00 0.00 N ATOM 1538 CA ARG A 96 11.928 1.747 11.531 1.00 0.00 C ATOM 1539 C ARG A 96 12.678 0.540 12.076 1.00 0.00 C ATOM 1540 O ARG A 96 12.258 -0.080 13.054 1.00 0.00 O ATOM 1541 CB ARG A 96 11.547 2.703 12.661 1.00 0.00 C ATOM 1542 CG ARG A 96 12.737 3.129 13.493 1.00 0.00 C ATOM 1543 CD ARG A 96 12.407 4.294 14.406 1.00 0.00 C ATOM 1544 NE ARG A 96 13.506 4.589 15.320 1.00 0.00 N ATOM 1545 CZ ARG A 96 14.211 5.717 15.302 1.00 0.00 C ATOM 1546 NH1 ARG A 96 13.963 6.644 14.386 1.00 0.00 N ATOM 1547 NH2 ARG A 96 15.178 5.911 16.191 1.00 0.00 N ATOM 0 H ARG A 96 9.991 0.984 11.423 1.00 0.00 H new ATOM 0 HA ARG A 96 12.572 2.296 10.844 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.070 3.587 12.238 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.812 2.222 13.306 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.081 2.286 14.092 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.559 3.407 12.833 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.186 5.176 13.805 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.508 4.065 14.979 1.00 0.00 H new ATOM 0 HE ARG A 96 13.749 3.885 16.017 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.230 6.493 13.693 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.505 7.508 14.375 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.381 5.195 16.888 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.718 6.776 16.176 1.00 0.00 H new ATOM 1561 N GLY A 97 13.764 0.193 11.413 1.00 0.00 N ATOM 1562 CA GLY A 97 14.483 -1.018 11.738 1.00 0.00 C ATOM 1563 C GLY A 97 14.512 -1.957 10.555 1.00 0.00 C ATOM 1564 O GLY A 97 15.586 -2.343 10.087 1.00 0.00 O ATOM 0 H GLY A 97 14.166 0.734 10.647 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.502 -0.772 12.038 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.010 -1.510 12.588 1.00 0.00 H new ATOM 1568 N TYR A 98 13.321 -2.311 10.063 1.00 0.00 N ATOM 1569 CA TYR A 98 13.179 -3.103 8.844 1.00 0.00 C ATOM 1570 C TYR A 98 13.840 -4.479 9.023 1.00 0.00 C ATOM 1571 O TYR A 98 14.128 -4.891 10.151 1.00 0.00 O ATOM 1572 CB TYR A 98 13.801 -2.316 7.683 1.00 0.00 C ATOM 1573 CG TYR A 98 13.393 -2.761 6.293 1.00 0.00 C ATOM 1574 CD1 TYR A 98 12.060 -2.743 5.898 1.00 0.00 C ATOM 1575 CD2 TYR A 98 14.345 -3.179 5.370 1.00 0.00 C ATOM 1576 CE1 TYR A 98 11.689 -3.134 4.625 1.00 0.00 C ATOM 1577 CE2 TYR A 98 13.981 -3.567 4.096 1.00 0.00 C ATOM 1578 CZ TYR A 98 12.653 -3.541 3.728 1.00 0.00 C ATOM 1579 OH TYR A 98 12.288 -3.923 2.459 1.00 0.00 O ATOM 0 H TYR A 98 12.434 -2.057 10.498 1.00 0.00 H new ATOM 0 HA TYR A 98 12.127 -3.283 8.625 1.00 0.00 H new ATOM 0 HB2 TYR A 98 13.538 -1.265 7.799 1.00 0.00 H new ATOM 0 HB3 TYR A 98 14.886 -2.384 7.762 1.00 0.00 H new ATOM 0 HD1 TYR A 98 11.303 -2.419 6.596 1.00 0.00 H new ATOM 0 HD2 TYR A 98 15.387 -3.201 5.654 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.649 -3.121 4.335 1.00 0.00 H new ATOM 0 HE2 TYR A 98 14.733 -3.889 3.391 1.00 0.00 H new ATOM 0 HH TYR A 98 13.086 -4.180 1.952 1.00 0.00 H new ATOM 1589 N LEU A 99 14.048 -5.198 7.925 1.00 0.00 N ATOM 1590 CA LEU A 99 14.747 -6.478 7.972 1.00 0.00 C ATOM 1591 C LEU A 99 16.208 -6.256 8.343 1.00 0.00 C ATOM 1592 O LEU A 99 16.627 -6.528 9.468 1.00 0.00 O ATOM 1593 CB LEU A 99 14.658 -7.206 6.623 1.00 0.00 C ATOM 1594 CG LEU A 99 13.284 -7.780 6.260 1.00 0.00 C ATOM 1595 CD1 LEU A 99 12.304 -6.680 5.886 1.00 0.00 C ATOM 1596 CD2 LEU A 99 13.419 -8.776 5.123 1.00 0.00 C ATOM 0 H LEU A 99 13.743 -4.917 6.993 1.00 0.00 H new ATOM 0 HA LEU A 99 14.269 -7.100 8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 99 14.959 -6.513 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 99 15.382 -8.021 6.624 1.00 0.00 H new ATOM 0 HG LEU A 99 12.890 -8.292 7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.340 -7.122 5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.182 -5.999 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.686 -6.129 5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.437 -9.178 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.840 -8.277 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 99 14.077 -9.590 5.428 1.00 0.00 H new ATOM 1608 N GLU A 100 16.973 -5.743 7.392 1.00 0.00 N ATOM 1609 CA GLU A 100 18.367 -5.410 7.627 1.00 0.00 C ATOM 1610 C GLU A 100 18.800 -4.292 6.697 1.00 0.00 C ATOM 1611 O GLU A 100 18.998 -4.513 5.500 1.00 0.00 O ATOM 1612 CB GLU A 100 19.267 -6.634 7.419 1.00 0.00 C ATOM 1613 CG GLU A 100 20.748 -6.345 7.627 1.00 0.00 C ATOM 1614 CD GLU A 100 21.074 -5.954 9.054 1.00 0.00 C ATOM 1615 OE1 GLU A 100 20.537 -4.936 9.533 1.00 0.00 O ATOM 1616 OE2 GLU A 100 21.877 -6.659 9.698 1.00 0.00 O ATOM 0 H GLU A 100 16.648 -5.548 6.445 1.00 0.00 H new ATOM 0 HA GLU A 100 18.466 -5.080 8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 100 18.959 -7.422 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 100 19.118 -7.016 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 100 21.328 -7.227 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 100 21.055 -5.543 6.956 1.00 0.00 H new ATOM 1623 N HIS A 101 18.931 -3.092 7.242 1.00 0.00 N ATOM 1624 CA HIS A 101 19.393 -1.956 6.461 1.00 0.00 C ATOM 1625 C HIS A 101 20.898 -2.055 6.269 1.00 0.00 C ATOM 1626 O HIS A 101 21.666 -1.799 7.195 1.00 0.00 O ATOM 1627 CB HIS A 101 19.026 -0.633 7.149 1.00 0.00 C ATOM 1628 CG HIS A 101 19.409 0.590 6.361 1.00 0.00 C ATOM 1629 ND1 HIS A 101 18.598 1.148 5.395 1.00 0.00 N ATOM 1630 CD2 HIS A 101 20.522 1.367 6.406 1.00 0.00 C ATOM 1631 CE1 HIS A 101 19.193 2.207 4.880 1.00 0.00 C ATOM 1632 NE2 HIS A 101 20.356 2.362 5.475 1.00 0.00 N ATOM 0 H HIS A 101 18.725 -2.881 8.218 1.00 0.00 H new ATOM 0 HA HIS A 101 18.902 -1.973 5.488 1.00 0.00 H new ATOM 0 HB2 HIS A 101 17.951 -0.615 7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 101 19.514 -0.593 8.123 1.00 0.00 H new ATOM 0 HD2 HIS A 101 21.376 1.228 7.052 1.00 0.00 H new ATOM 0 HE1 HIS A 101 18.793 2.840 4.102 1.00 0.00 H new ATOM 0 HE2 HIS A 101 21.028 3.104 5.276 1.00 0.00 H new ATOM 1641 N HIS A 102 21.315 -2.438 5.073 1.00 0.00 N ATOM 1642 CA HIS A 102 22.725 -2.647 4.802 1.00 0.00 C ATOM 1643 C HIS A 102 23.104 -2.068 3.448 1.00 0.00 C ATOM 1644 O HIS A 102 22.387 -2.241 2.465 1.00 0.00 O ATOM 1645 CB HIS A 102 23.071 -4.147 4.859 1.00 0.00 C ATOM 1646 CG HIS A 102 22.445 -4.984 3.772 1.00 0.00 C ATOM 1647 ND1 HIS A 102 21.196 -5.560 3.882 1.00 0.00 N ATOM 1648 CD2 HIS A 102 22.912 -5.343 2.548 1.00 0.00 C ATOM 1649 CE1 HIS A 102 20.925 -6.234 2.776 1.00 0.00 C ATOM 1650 NE2 HIS A 102 21.947 -6.117 1.952 1.00 0.00 N ATOM 0 H HIS A 102 20.699 -2.609 4.278 1.00 0.00 H new ATOM 0 HA HIS A 102 23.299 -2.129 5.571 1.00 0.00 H new ATOM 0 HB2 HIS A 102 24.154 -4.258 4.805 1.00 0.00 H new ATOM 0 HB3 HIS A 102 22.759 -4.541 5.826 1.00 0.00 H new ATOM 0 HD1 HIS A 102 20.578 -5.479 4.690 1.00 0.00 H new ATOM 0 HD2 HIS A 102 23.866 -5.070 2.122 1.00 0.00 H new ATOM 0 HE1 HIS A 102 20.018 -6.787 2.581 1.00 0.00 H new ATOM 1659 N HIS A 103 24.213 -1.358 3.415 1.00 0.00 N ATOM 1660 CA HIS A 103 24.773 -0.886 2.162 1.00 0.00 C ATOM 1661 C HIS A 103 25.708 -1.937 1.592 1.00 0.00 C ATOM 1662 O HIS A 103 25.432 -2.523 0.546 1.00 0.00 O ATOM 1663 CB HIS A 103 25.528 0.426 2.364 1.00 0.00 C ATOM 1664 CG HIS A 103 24.793 1.634 1.872 1.00 0.00 C ATOM 1665 ND1 HIS A 103 24.156 2.519 2.708 1.00 0.00 N ATOM 1666 CD2 HIS A 103 24.627 2.114 0.621 1.00 0.00 C ATOM 1667 CE1 HIS A 103 23.633 3.495 1.992 1.00 0.00 C ATOM 1668 NE2 HIS A 103 23.905 3.278 0.719 1.00 0.00 N ATOM 0 H HIS A 103 24.747 -1.094 4.243 1.00 0.00 H new ATOM 0 HA HIS A 103 23.956 -0.707 1.463 1.00 0.00 H new ATOM 0 HB2 HIS A 103 25.741 0.551 3.426 1.00 0.00 H new ATOM 0 HB3 HIS A 103 26.488 0.364 1.851 1.00 0.00 H new ATOM 0 HD2 HIS A 103 24.995 1.665 -0.290 1.00 0.00 H new ATOM 0 HE1 HIS A 103 23.075 4.333 2.383 1.00 0.00 H new ATOM 0 HE2 HIS A 103 23.626 3.874 -0.060 1.00 0.00 H new ATOM 1677 N HIS A 104 26.813 -2.179 2.302 1.00 0.00 N ATOM 1678 CA HIS A 104 27.837 -3.131 1.869 1.00 0.00 C ATOM 1679 C HIS A 104 28.406 -2.697 0.515 1.00 0.00 C ATOM 1680 O HIS A 104 28.992 -3.493 -0.219 1.00 0.00 O ATOM 1681 CB HIS A 104 27.247 -4.548 1.794 1.00 0.00 C ATOM 1682 CG HIS A 104 28.271 -5.646 1.833 1.00 0.00 C ATOM 1683 ND1 HIS A 104 28.787 -6.146 3.008 1.00 0.00 N ATOM 1684 CD2 HIS A 104 28.858 -6.352 0.838 1.00 0.00 C ATOM 1685 CE1 HIS A 104 29.643 -7.113 2.737 1.00 0.00 C ATOM 1686 NE2 HIS A 104 29.705 -7.258 1.427 1.00 0.00 N ATOM 0 H HIS A 104 27.022 -1.722 3.190 1.00 0.00 H new ATOM 0 HA HIS A 104 28.649 -3.144 2.596 1.00 0.00 H new ATOM 0 HB2 HIS A 104 26.553 -4.684 2.623 1.00 0.00 H new ATOM 0 HB3 HIS A 104 26.668 -4.640 0.875 1.00 0.00 H new ATOM 0 HD2 HIS A 104 28.691 -6.226 -0.222 1.00 0.00 H new ATOM 0 HE1 HIS A 104 30.198 -7.688 3.464 1.00 0.00 H new ATOM 0 HE2 HIS A 104 30.288 -7.933 0.932 1.00 0.00 H new ATOM 1695 N HIS A 105 28.239 -1.412 0.219 1.00 0.00 N ATOM 1696 CA HIS A 105 28.654 -0.829 -1.048 1.00 0.00 C ATOM 1697 C HIS A 105 28.369 0.664 -1.025 1.00 0.00 C ATOM 1698 O HIS A 105 27.236 1.076 -0.787 1.00 0.00 O ATOM 1699 CB HIS A 105 27.894 -1.471 -2.215 1.00 0.00 C ATOM 1700 CG HIS A 105 28.457 -1.136 -3.563 1.00 0.00 C ATOM 1701 ND1 HIS A 105 28.043 -0.058 -4.317 1.00 0.00 N ATOM 1702 CD2 HIS A 105 29.407 -1.760 -4.298 1.00 0.00 C ATOM 1703 CE1 HIS A 105 28.716 -0.036 -5.452 1.00 0.00 C ATOM 1704 NE2 HIS A 105 29.551 -1.057 -5.464 1.00 0.00 N ATOM 0 H HIS A 105 27.809 -0.743 0.857 1.00 0.00 H new ATOM 0 HA HIS A 105 29.720 -1.008 -1.185 1.00 0.00 H new ATOM 0 HB2 HIS A 105 27.900 -2.554 -2.088 1.00 0.00 H new ATOM 0 HB3 HIS A 105 26.853 -1.152 -2.177 1.00 0.00 H new ATOM 0 HD2 HIS A 105 29.951 -2.649 -4.016 1.00 0.00 H new ATOM 0 HE1 HIS A 105 28.602 0.695 -6.239 1.00 0.00 H new ATOM 0 HE2 HIS A 105 30.198 -1.285 -6.219 1.00 0.00 H new ATOM 1713 N HIS A 106 29.388 1.468 -1.250 1.00 0.00 N ATOM 1714 CA HIS A 106 29.210 2.910 -1.297 1.00 0.00 C ATOM 1715 C HIS A 106 29.992 3.492 -2.463 1.00 0.00 C ATOM 1716 O HIS A 106 29.378 4.186 -3.297 1.00 0.00 O ATOM 1717 CB HIS A 106 29.608 3.573 0.034 1.00 0.00 C ATOM 1718 CG HIS A 106 31.057 3.449 0.404 1.00 0.00 C ATOM 1719 ND1 HIS A 106 31.588 2.332 1.010 1.00 0.00 N ATOM 1720 CD2 HIS A 106 32.082 4.324 0.273 1.00 0.00 C ATOM 1721 CE1 HIS A 106 32.871 2.525 1.237 1.00 0.00 C ATOM 1722 NE2 HIS A 106 33.196 3.723 0.800 1.00 0.00 N ATOM 1723 OXT HIS A 106 31.206 3.210 -2.567 1.00 0.00 O ATOM 0 H HIS A 106 30.346 1.152 -1.403 1.00 0.00 H new ATOM 0 HA HIS A 106 28.152 3.121 -1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 106 29.352 4.631 -0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 106 29.008 3.137 0.832 1.00 0.00 H new ATOM 0 HD2 HIS A 106 32.032 5.310 -0.164 1.00 0.00 H new ATOM 0 HE1 HIS A 106 33.543 1.819 1.703 1.00 0.00 H new ATOM 0 HE2 HIS A 106 34.127 4.138 0.846 1.00 0.00 H new TER 1732 HIS A 106