USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ -150:sc= 0.45 (180deg=0.066) USER MOD Single : A 2 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 3 ASN : amide:sc= -0.402 K(o=-0.4,f=-3.6!) USER MOD Single : A 4 HIS : no HE2:sc= 0.148! C(o=0.15!,f=-6.2!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -120:sc= -0.0607 (180deg=-0.651) USER MOD Single : A 22 GLN : amide:sc= -0.0374 X(o=-0.037,f=-0.52) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -91:sc=-0.00385 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00928) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.461 K(o=-0.46,f=-4.6!) USER MOD Single : A 58 GLN : amide:sc= -0.475 K(o=-0.48,f=-3.9!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.26) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 50.155 4.689 10.393 1.00 0.00 N ATOM 2 CA ASP A 1 50.649 5.502 9.245 1.00 0.00 C ATOM 3 C ASP A 1 49.491 5.842 8.301 1.00 0.00 C ATOM 4 O ASP A 1 49.541 6.807 7.566 1.00 0.00 O ATOM 5 CB ASP A 1 51.673 4.612 8.540 1.00 0.00 C ATOM 6 CG ASP A 1 50.971 3.382 7.965 1.00 0.00 C ATOM 7 OD1 ASP A 1 50.587 2.524 8.744 1.00 0.00 O ATOM 8 OD2 ASP A 1 50.826 3.317 6.755 1.00 0.00 O ATOM 0 H1 ASP A 1 50.741 4.880 11.231 1.00 0.00 H new ATOM 0 H2 ASP A 1 49.167 4.941 10.597 1.00 0.00 H new ATOM 0 H3 ASP A 1 50.213 3.679 10.153 1.00 0.00 H new ATOM 0 HA ASP A 1 51.085 6.448 9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 1 52.166 5.168 7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 1 52.449 4.306 9.242 1.00 0.00 H new ATOM 15 N GLN A 2 48.451 5.053 8.316 1.00 0.00 N ATOM 16 CA GLN A 2 47.286 5.336 7.410 1.00 0.00 C ATOM 17 C GLN A 2 47.691 5.118 5.951 1.00 0.00 C ATOM 18 O GLN A 2 47.123 4.303 5.252 1.00 0.00 O ATOM 19 CB GLN A 2 46.944 6.807 7.653 1.00 0.00 C ATOM 20 CG GLN A 2 45.487 6.925 8.104 1.00 0.00 C ATOM 21 CD GLN A 2 45.060 8.394 8.073 1.00 0.00 C ATOM 22 OE1 GLN A 2 43.982 8.715 7.612 1.00 0.00 O ATOM 23 NE2 GLN A 2 45.864 9.305 8.548 1.00 0.00 N ATOM 0 H GLN A 2 48.352 4.229 8.909 1.00 0.00 H new ATOM 0 HA GLN A 2 46.438 4.681 7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 2 47.606 7.224 8.412 1.00 0.00 H new ATOM 0 HB3 GLN A 2 47.101 7.383 6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 2 44.844 6.335 7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 2 45.373 6.523 9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 2 46.768 9.035 8.935 1.00 0.00 H new ATOM 0 HE22 GLN A 2 45.588 10.287 8.533 1.00 0.00 H new ATOM 32 N ASN A 3 48.668 5.844 5.489 1.00 0.00 N ATOM 33 CA ASN A 3 49.114 5.681 4.065 1.00 0.00 C ATOM 34 C ASN A 3 48.022 6.175 3.111 1.00 0.00 C ATOM 35 O ASN A 3 48.117 6.022 1.910 1.00 0.00 O ATOM 36 CB ASN A 3 49.333 4.178 3.888 1.00 0.00 C ATOM 37 CG ASN A 3 50.710 3.930 3.269 1.00 0.00 C ATOM 38 OD1 ASN A 3 51.413 4.862 2.932 1.00 0.00 O ATOM 39 ND2 ASN A 3 51.126 2.705 3.102 1.00 0.00 N ATOM 0 H ASN A 3 49.180 6.543 6.028 1.00 0.00 H new ATOM 0 HA ASN A 3 50.015 6.255 3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 3 49.260 3.674 4.851 1.00 0.00 H new ATOM 0 HB3 ASN A 3 48.555 3.760 3.249 1.00 0.00 H new ATOM 0 HD21 ASN A 3 52.042 2.529 2.688 1.00 0.00 H new ATOM 0 HD22 ASN A 3 50.536 1.923 3.385 1.00 0.00 H new ATOM 46 N HIS A 4 46.985 6.766 3.638 1.00 0.00 N ATOM 47 CA HIS A 4 45.888 7.270 2.761 1.00 0.00 C ATOM 48 C HIS A 4 45.173 8.446 3.431 1.00 0.00 C ATOM 49 O HIS A 4 44.670 8.334 4.532 1.00 0.00 O ATOM 50 CB HIS A 4 44.936 6.085 2.598 1.00 0.00 C ATOM 51 CG HIS A 4 45.060 5.530 1.206 1.00 0.00 C ATOM 52 ND1 HIS A 4 46.250 5.012 0.720 1.00 0.00 N ATOM 53 CD2 HIS A 4 44.151 5.405 0.184 1.00 0.00 C ATOM 54 CE1 HIS A 4 46.028 4.603 -0.543 1.00 0.00 C ATOM 55 NE2 HIS A 4 44.765 4.819 -0.919 1.00 0.00 N ATOM 0 H HIS A 4 46.849 6.922 4.637 1.00 0.00 H new ATOM 0 HA HIS A 4 46.258 7.630 1.801 1.00 0.00 H new ATOM 0 HB2 HIS A 4 45.170 5.313 3.331 1.00 0.00 H new ATOM 0 HB3 HIS A 4 43.910 6.401 2.785 1.00 0.00 H new ATOM 0 HD1 HIS A 4 47.133 4.952 1.227 1.00 0.00 H new ATOM 0 HD2 HIS A 4 43.117 5.714 0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 4 46.780 4.155 -1.175 1.00 0.00 H new ATOM 63 N ILE A 5 45.122 9.571 2.775 1.00 0.00 N ATOM 64 CA ILE A 5 44.439 10.755 3.372 1.00 0.00 C ATOM 65 C ILE A 5 43.150 11.063 2.616 1.00 0.00 C ATOM 66 O ILE A 5 42.531 12.091 2.802 1.00 0.00 O ATOM 67 CB ILE A 5 45.432 11.899 3.212 1.00 0.00 C ATOM 68 CG1 ILE A 5 46.748 11.535 3.902 1.00 0.00 C ATOM 69 CG2 ILE A 5 44.857 13.169 3.842 1.00 0.00 C ATOM 70 CD1 ILE A 5 47.807 11.214 2.846 1.00 0.00 C ATOM 0 H ILE A 5 45.524 9.723 1.850 1.00 0.00 H new ATOM 0 HA ILE A 5 44.163 10.589 4.413 1.00 0.00 H new ATOM 0 HB ILE A 5 45.616 12.073 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 5 47.083 12.362 4.529 1.00 0.00 H new ATOM 0 HG13 ILE A 5 46.602 10.677 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 5 45.569 13.987 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 5 43.922 13.429 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 5 44.671 12.997 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 5 48.744 10.955 3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 5 47.472 10.374 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 5 47.961 12.085 2.208 1.00 0.00 H new ATOM 82 N GLU A 6 42.750 10.174 1.764 1.00 0.00 N ATOM 83 CA GLU A 6 41.502 10.389 0.980 1.00 0.00 C ATOM 84 C GLU A 6 40.311 9.755 1.701 1.00 0.00 C ATOM 85 O GLU A 6 40.470 8.975 2.619 1.00 0.00 O ATOM 86 CB GLU A 6 41.753 9.693 -0.359 1.00 0.00 C ATOM 87 CG GLU A 6 42.986 10.303 -1.029 1.00 0.00 C ATOM 88 CD GLU A 6 42.960 9.993 -2.526 1.00 0.00 C ATOM 89 OE1 GLU A 6 41.985 10.349 -3.167 1.00 0.00 O ATOM 90 OE2 GLU A 6 43.915 9.404 -3.005 1.00 0.00 O ATOM 0 H GLU A 6 43.235 9.297 1.571 1.00 0.00 H new ATOM 0 HA GLU A 6 41.269 11.446 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 6 41.902 8.625 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 6 40.883 9.802 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 6 43.003 11.381 -0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 6 43.894 9.901 -0.579 1.00 0.00 H new ATOM 97 N GLN A 7 39.120 10.084 1.292 1.00 0.00 N ATOM 98 CA GLN A 7 37.914 9.505 1.950 1.00 0.00 C ATOM 99 C GLN A 7 36.909 9.034 0.896 1.00 0.00 C ATOM 100 O GLN A 7 35.870 9.638 0.714 1.00 0.00 O ATOM 101 CB GLN A 7 37.330 10.643 2.779 1.00 0.00 C ATOM 102 CG GLN A 7 36.845 11.735 1.837 1.00 0.00 C ATOM 103 CD GLN A 7 37.183 13.108 2.421 1.00 0.00 C ATOM 104 OE1 GLN A 7 36.314 13.807 2.903 1.00 0.00 O ATOM 105 NE2 GLN A 7 38.419 13.527 2.398 1.00 0.00 N ATOM 0 H GLN A 7 38.927 10.731 0.528 1.00 0.00 H new ATOM 0 HA GLN A 7 38.156 8.638 2.564 1.00 0.00 H new ATOM 0 HB2 GLN A 7 36.505 10.279 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 7 38.083 11.039 3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 7 37.313 11.620 0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 7 35.769 11.648 1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 7 39.149 12.940 1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 7 38.655 14.441 2.785 1.00 0.00 H new ATOM 114 N PRO A 8 37.255 7.965 0.234 1.00 0.00 N ATOM 115 CA PRO A 8 36.374 7.399 -0.817 1.00 0.00 C ATOM 116 C PRO A 8 35.153 6.725 -0.185 1.00 0.00 C ATOM 117 O PRO A 8 34.227 6.333 -0.867 1.00 0.00 O ATOM 118 CB PRO A 8 37.264 6.372 -1.514 1.00 0.00 C ATOM 119 CG PRO A 8 38.288 5.991 -0.493 1.00 0.00 C ATOM 120 CD PRO A 8 38.488 7.188 0.402 1.00 0.00 C ATOM 0 HA PRO A 8 35.984 8.152 -1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 8 36.688 5.505 -1.838 1.00 0.00 H new ATOM 0 HB3 PRO A 8 37.732 6.794 -2.404 1.00 0.00 H new ATOM 0 HG2 PRO A 8 37.954 5.129 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 8 39.225 5.708 -0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.634 6.890 1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 8 39.366 7.764 0.109 1.00 0.00 H new ATOM 128 N PHE A 9 35.144 6.589 1.112 1.00 0.00 N ATOM 129 CA PHE A 9 33.982 5.941 1.785 1.00 0.00 C ATOM 130 C PHE A 9 33.008 7.006 2.298 1.00 0.00 C ATOM 131 O PHE A 9 31.835 6.751 2.486 1.00 0.00 O ATOM 132 CB PHE A 9 34.584 5.158 2.952 1.00 0.00 C ATOM 133 CG PHE A 9 33.764 3.915 3.202 1.00 0.00 C ATOM 134 CD1 PHE A 9 32.538 4.009 3.872 1.00 0.00 C ATOM 135 CD2 PHE A 9 34.230 2.670 2.765 1.00 0.00 C ATOM 136 CE1 PHE A 9 31.779 2.857 4.104 1.00 0.00 C ATOM 137 CE2 PHE A 9 33.469 1.517 2.998 1.00 0.00 C ATOM 138 CZ PHE A 9 32.243 1.611 3.667 1.00 0.00 C ATOM 0 H PHE A 9 35.890 6.898 1.735 1.00 0.00 H new ATOM 0 HA PHE A 9 33.421 5.296 1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 9 35.616 4.887 2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 9 34.605 5.779 3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 9 32.179 4.970 4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 9 35.176 2.598 2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 9 30.834 2.929 4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 9 33.828 0.556 2.661 1.00 0.00 H new ATOM 0 HZ PHE A 9 31.656 0.723 3.846 1.00 0.00 H new ATOM 148 N TYR A 10 33.487 8.198 2.528 1.00 0.00 N ATOM 149 CA TYR A 10 32.589 9.279 3.028 1.00 0.00 C ATOM 150 C TYR A 10 31.518 9.601 1.982 1.00 0.00 C ATOM 151 O TYR A 10 30.441 10.062 2.305 1.00 0.00 O ATOM 152 CB TYR A 10 33.507 10.480 3.253 1.00 0.00 C ATOM 153 CG TYR A 10 32.681 11.739 3.361 1.00 0.00 C ATOM 154 CD1 TYR A 10 31.964 12.008 4.533 1.00 0.00 C ATOM 155 CD2 TYR A 10 32.632 12.639 2.290 1.00 0.00 C ATOM 156 CE1 TYR A 10 31.199 13.175 4.635 1.00 0.00 C ATOM 157 CE2 TYR A 10 31.866 13.806 2.390 1.00 0.00 C ATOM 158 CZ TYR A 10 31.149 14.075 3.562 1.00 0.00 C ATOM 159 OH TYR A 10 30.395 15.226 3.662 1.00 0.00 O ATOM 0 H TYR A 10 34.460 8.471 2.392 1.00 0.00 H new ATOM 0 HA TYR A 10 32.063 8.995 3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 10 34.091 10.338 4.162 1.00 0.00 H new ATOM 0 HB3 TYR A 10 34.215 10.568 2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 10 32.001 11.314 5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 10 33.186 12.433 1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 10 30.647 13.382 5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 10 31.828 14.499 1.563 1.00 0.00 H new ATOM 0 HH TYR A 10 30.470 15.740 2.831 1.00 0.00 H new ATOM 169 N LEU A 11 31.806 9.362 0.731 1.00 0.00 N ATOM 170 CA LEU A 11 30.802 9.655 -0.333 1.00 0.00 C ATOM 171 C LEU A 11 29.616 8.698 -0.218 1.00 0.00 C ATOM 172 O LEU A 11 28.472 9.109 -0.181 1.00 0.00 O ATOM 173 CB LEU A 11 31.547 9.432 -1.650 1.00 0.00 C ATOM 174 CG LEU A 11 31.467 10.699 -2.503 1.00 0.00 C ATOM 175 CD1 LEU A 11 32.586 10.685 -3.545 1.00 0.00 C ATOM 176 CD2 LEU A 11 30.111 10.752 -3.211 1.00 0.00 C ATOM 0 H LEU A 11 32.691 8.977 0.400 1.00 0.00 H new ATOM 0 HA LEU A 11 30.401 10.666 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 11 32.589 9.179 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 11 31.111 8.590 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 11 31.578 11.575 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 11 32.529 11.588 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 11 33.552 10.647 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 11 32.476 9.809 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 11 30.053 11.655 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.000 9.876 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.313 10.763 -2.469 1.00 0.00 H new ATOM 188 N MET A 12 29.881 7.425 -0.163 1.00 0.00 N ATOM 189 CA MET A 12 28.774 6.434 -0.050 1.00 0.00 C ATOM 190 C MET A 12 28.256 6.381 1.389 1.00 0.00 C ATOM 191 O MET A 12 27.231 5.791 1.669 1.00 0.00 O ATOM 192 CB MET A 12 29.399 5.095 -0.444 1.00 0.00 C ATOM 193 CG MET A 12 29.486 5.001 -1.968 1.00 0.00 C ATOM 194 SD MET A 12 30.140 3.379 -2.437 1.00 0.00 S ATOM 195 CE MET A 12 31.890 3.837 -2.457 1.00 0.00 C ATOM 0 H MET A 12 30.819 7.025 -0.191 1.00 0.00 H new ATOM 0 HA MET A 12 27.925 6.690 -0.684 1.00 0.00 H new ATOM 0 HB2 MET A 12 30.393 5.003 -0.006 1.00 0.00 H new ATOM 0 HB3 MET A 12 28.800 4.273 -0.052 1.00 0.00 H new ATOM 0 HG2 MET A 12 28.500 5.149 -2.409 1.00 0.00 H new ATOM 0 HG3 MET A 12 30.130 5.790 -2.355 1.00 0.00 H new ATOM 0 HE1 MET A 12 32.490 2.968 -2.728 1.00 0.00 H new ATOM 0 HE2 MET A 12 32.050 4.631 -3.187 1.00 0.00 H new ATOM 0 HE3 MET A 12 32.185 4.188 -1.468 1.00 0.00 H new ATOM 205 N GLY A 13 28.955 6.994 2.305 1.00 0.00 N ATOM 206 CA GLY A 13 28.502 6.978 3.724 1.00 0.00 C ATOM 207 C GLY A 13 27.232 7.821 3.865 1.00 0.00 C ATOM 208 O GLY A 13 26.336 7.488 4.615 1.00 0.00 O ATOM 0 H GLY A 13 29.820 7.505 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 13 28.309 5.954 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 13 29.286 7.371 4.371 1.00 0.00 H new ATOM 212 N ARG A 14 27.148 8.907 3.149 1.00 0.00 N ATOM 213 CA ARG A 14 25.935 9.770 3.242 1.00 0.00 C ATOM 214 C ARG A 14 24.831 9.230 2.329 1.00 0.00 C ATOM 215 O ARG A 14 23.659 9.468 2.546 1.00 0.00 O ATOM 216 CB ARG A 14 26.393 11.151 2.771 1.00 0.00 C ATOM 217 CG ARG A 14 25.215 12.125 2.822 1.00 0.00 C ATOM 218 CD ARG A 14 25.686 13.468 3.384 1.00 0.00 C ATOM 219 NE ARG A 14 24.837 13.701 4.585 1.00 0.00 N ATOM 220 CZ ARG A 14 23.863 14.570 4.537 1.00 0.00 C ATOM 221 NH1 ARG A 14 24.111 15.810 4.216 1.00 0.00 N ATOM 222 NH2 ARG A 14 22.643 14.196 4.809 1.00 0.00 N ATOM 0 H ARG A 14 27.866 9.235 2.503 1.00 0.00 H new ATOM 0 HA ARG A 14 25.526 9.800 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.204 11.512 3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.784 11.089 1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 14 24.800 12.262 1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.419 11.717 3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.743 13.437 3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.563 14.267 2.653 1.00 0.00 H new ATOM 0 HE ARG A 14 25.016 13.182 5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.065 16.101 4.003 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.351 16.489 4.178 1.00 0.00 H new ATOM 0 HH21 ARG A 14 22.451 13.226 5.059 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.882 14.874 4.772 1.00 0.00 H new ATOM 236 N ASP A 15 25.195 8.504 1.307 1.00 0.00 N ATOM 237 CA ASP A 15 24.167 7.949 0.381 1.00 0.00 C ATOM 238 C ASP A 15 23.721 6.563 0.855 1.00 0.00 C ATOM 239 O ASP A 15 22.764 6.004 0.358 1.00 0.00 O ATOM 240 CB ASP A 15 24.866 7.852 -0.975 1.00 0.00 C ATOM 241 CG ASP A 15 23.820 7.684 -2.078 1.00 0.00 C ATOM 242 OD1 ASP A 15 22.972 6.818 -1.937 1.00 0.00 O ATOM 243 OD2 ASP A 15 23.885 8.425 -3.046 1.00 0.00 O ATOM 0 H ASP A 15 26.160 8.271 1.073 1.00 0.00 H new ATOM 0 HA ASP A 15 23.274 8.572 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 15 25.459 8.749 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 15 25.555 7.008 -0.981 1.00 0.00 H new ATOM 248 N LYS A 16 24.409 6.004 1.814 1.00 0.00 N ATOM 249 CA LYS A 16 24.024 4.655 2.318 1.00 0.00 C ATOM 250 C LYS A 16 22.509 4.570 2.502 1.00 0.00 C ATOM 251 O LYS A 16 21.824 3.863 1.788 1.00 0.00 O ATOM 252 CB LYS A 16 24.740 4.514 3.663 1.00 0.00 C ATOM 253 CG LYS A 16 24.978 3.032 3.962 1.00 0.00 C ATOM 254 CD LYS A 16 24.200 2.633 5.218 1.00 0.00 C ATOM 255 CE LYS A 16 24.226 1.110 5.370 1.00 0.00 C ATOM 256 NZ LYS A 16 23.289 0.604 4.328 1.00 0.00 N ATOM 0 H LYS A 16 25.220 6.423 2.269 1.00 0.00 H new ATOM 0 HA LYS A 16 24.302 3.861 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 16 25.690 5.048 3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 16 24.141 4.964 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 16 24.659 2.424 3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.042 2.846 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 16 24.640 3.105 6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.171 2.985 5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 16 25.231 0.715 5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 16 23.908 0.807 6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.520 0.070 4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 22.889 1.407 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.803 -0.019 3.672 1.00 0.00 H new ATOM 270 N ALA A 17 21.981 5.284 3.453 1.00 0.00 N ATOM 271 CA ALA A 17 20.508 5.246 3.684 1.00 0.00 C ATOM 272 C ALA A 17 19.763 5.497 2.373 1.00 0.00 C ATOM 273 O ALA A 17 18.739 4.903 2.105 1.00 0.00 O ATOM 274 CB ALA A 17 20.232 6.368 4.684 1.00 0.00 C ATOM 0 H ALA A 17 22.504 5.893 4.082 1.00 0.00 H new ATOM 0 HA ALA A 17 20.173 4.279 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 17 19.165 6.404 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 17 20.787 6.181 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 17 20.547 7.321 4.258 1.00 0.00 H new ATOM 280 N LEU A 18 20.274 6.370 1.553 1.00 0.00 N ATOM 281 CA LEU A 18 19.598 6.654 0.255 1.00 0.00 C ATOM 282 C LEU A 18 19.604 5.398 -0.618 1.00 0.00 C ATOM 283 O LEU A 18 18.745 5.207 -1.456 1.00 0.00 O ATOM 284 CB LEU A 18 20.429 7.761 -0.392 1.00 0.00 C ATOM 285 CG LEU A 18 19.497 8.817 -0.990 1.00 0.00 C ATOM 286 CD1 LEU A 18 18.424 8.130 -1.836 1.00 0.00 C ATOM 287 CD2 LEU A 18 18.829 9.604 0.139 1.00 0.00 C ATOM 0 H LEU A 18 21.129 6.899 1.723 1.00 0.00 H new ATOM 0 HA LEU A 18 18.558 6.952 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.085 8.218 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.068 7.343 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 18 20.073 9.497 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 18 17.760 8.882 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.899 7.568 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 18 17.847 7.450 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.165 10.357 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.253 8.923 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.593 10.094 0.743 1.00 0.00 H new ATOM 299 N ALA A 19 20.565 4.538 -0.421 1.00 0.00 N ATOM 300 CA ALA A 19 20.627 3.291 -1.235 1.00 0.00 C ATOM 301 C ALA A 19 19.428 2.394 -0.918 1.00 0.00 C ATOM 302 O ALA A 19 18.990 1.615 -1.741 1.00 0.00 O ATOM 303 CB ALA A 19 21.931 2.612 -0.822 1.00 0.00 C ATOM 0 H ALA A 19 21.310 4.645 0.268 1.00 0.00 H new ATOM 0 HA ALA A 19 20.597 3.494 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 19 22.050 1.683 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 19 22.770 3.274 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.905 2.394 0.246 1.00 0.00 H new ATOM 309 N VAL A 20 18.895 2.497 0.269 1.00 0.00 N ATOM 310 CA VAL A 20 17.725 1.647 0.631 1.00 0.00 C ATOM 311 C VAL A 20 16.511 2.032 -0.219 1.00 0.00 C ATOM 312 O VAL A 20 15.645 1.223 -0.487 1.00 0.00 O ATOM 313 CB VAL A 20 17.464 1.931 2.114 1.00 0.00 C ATOM 314 CG1 VAL A 20 16.755 3.279 2.268 1.00 0.00 C ATOM 315 CG2 VAL A 20 16.583 0.825 2.695 1.00 0.00 C ATOM 0 H VAL A 20 19.217 3.130 1.001 1.00 0.00 H new ATOM 0 HA VAL A 20 17.913 0.588 0.452 1.00 0.00 H new ATOM 0 HB VAL A 20 18.414 1.962 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.572 3.475 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 20 17.382 4.069 1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.805 3.254 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 20 16.396 1.025 3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 20 15.635 0.795 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 20 17.089 -0.135 2.592 1.00 0.00 H new ATOM 325 N GLU A 21 16.442 3.263 -0.651 1.00 0.00 N ATOM 326 CA GLU A 21 15.286 3.693 -1.487 1.00 0.00 C ATOM 327 C GLU A 21 15.414 3.109 -2.895 1.00 0.00 C ATOM 328 O GLU A 21 14.435 2.905 -3.586 1.00 0.00 O ATOM 329 CB GLU A 21 15.368 5.220 -1.528 1.00 0.00 C ATOM 330 CG GLU A 21 14.119 5.817 -0.878 1.00 0.00 C ATOM 331 CD GLU A 21 13.225 6.431 -1.957 1.00 0.00 C ATOM 332 OE1 GLU A 21 12.922 5.736 -2.913 1.00 0.00 O ATOM 333 OE2 GLU A 21 12.860 7.586 -1.809 1.00 0.00 O ATOM 0 H GLU A 21 17.135 3.987 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 21 14.333 3.351 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.261 5.561 -1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.453 5.562 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.574 5.044 -0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.403 6.577 -0.150 1.00 0.00 H new ATOM 340 N GLN A 22 16.614 2.828 -3.321 1.00 0.00 N ATOM 341 CA GLN A 22 16.803 2.245 -4.680 1.00 0.00 C ATOM 342 C GLN A 22 16.390 0.776 -4.667 1.00 0.00 C ATOM 343 O GLN A 22 15.708 0.299 -5.552 1.00 0.00 O ATOM 344 CB GLN A 22 18.298 2.379 -4.974 1.00 0.00 C ATOM 345 CG GLN A 22 18.528 2.325 -6.485 1.00 0.00 C ATOM 346 CD GLN A 22 18.909 3.715 -6.996 1.00 0.00 C ATOM 347 OE1 GLN A 22 18.394 4.709 -6.524 1.00 0.00 O ATOM 348 NE2 GLN A 22 19.796 3.829 -7.946 1.00 0.00 N ATOM 0 H GLN A 22 17.471 2.976 -2.788 1.00 0.00 H new ATOM 0 HA GLN A 22 16.200 2.748 -5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 22 18.676 3.319 -4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 22 18.849 1.577 -4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 22 19.319 1.612 -6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 22 17.626 1.976 -6.988 1.00 0.00 H new ATOM 0 HE21 GLN A 22 20.229 2.995 -8.343 1.00 0.00 H new ATOM 0 HE22 GLN A 22 20.057 4.752 -8.292 1.00 0.00 H new ATOM 357 N PHE A 23 16.799 0.058 -3.660 1.00 0.00 N ATOM 358 CA PHE A 23 16.430 -1.383 -3.573 1.00 0.00 C ATOM 359 C PHE A 23 14.909 -1.527 -3.476 1.00 0.00 C ATOM 360 O PHE A 23 14.347 -2.535 -3.855 1.00 0.00 O ATOM 361 CB PHE A 23 17.101 -1.886 -2.294 1.00 0.00 C ATOM 362 CG PHE A 23 18.480 -2.406 -2.620 1.00 0.00 C ATOM 363 CD1 PHE A 23 18.626 -3.587 -3.356 1.00 0.00 C ATOM 364 CD2 PHE A 23 19.612 -1.707 -2.185 1.00 0.00 C ATOM 365 CE1 PHE A 23 19.906 -4.070 -3.658 1.00 0.00 C ATOM 366 CE2 PHE A 23 20.891 -2.189 -2.487 1.00 0.00 C ATOM 367 CZ PHE A 23 21.039 -3.370 -3.224 1.00 0.00 C ATOM 0 H PHE A 23 17.373 0.406 -2.892 1.00 0.00 H new ATOM 0 HA PHE A 23 16.750 -1.949 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 23 17.168 -1.079 -1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 23 16.501 -2.675 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.752 -4.126 -3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 23 19.499 -0.796 -1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.019 -4.982 -4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 23 21.764 -1.649 -2.151 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.026 -3.741 -3.458 1.00 0.00 H new ATOM 377 N ILE A 24 14.240 -0.524 -2.974 1.00 0.00 N ATOM 378 CA ILE A 24 12.755 -0.604 -2.856 1.00 0.00 C ATOM 379 C ILE A 24 12.117 -0.600 -4.247 1.00 0.00 C ATOM 380 O ILE A 24 11.102 -1.227 -4.478 1.00 0.00 O ATOM 381 CB ILE A 24 12.352 0.647 -2.077 1.00 0.00 C ATOM 382 CG1 ILE A 24 12.703 0.461 -0.599 1.00 0.00 C ATOM 383 CG2 ILE A 24 10.845 0.873 -2.218 1.00 0.00 C ATOM 384 CD1 ILE A 24 12.329 1.725 0.178 1.00 0.00 C ATOM 0 H ILE A 24 14.656 0.346 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 24 12.427 -1.516 -2.358 1.00 0.00 H new ATOM 0 HB ILE A 24 12.887 1.510 -2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.170 -0.399 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.768 0.256 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.557 1.765 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.594 1.004 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.309 0.010 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.579 1.592 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.882 2.575 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.259 1.909 0.080 1.00 0.00 H new ATOM 396 N SER A 25 12.705 0.101 -5.178 1.00 0.00 N ATOM 397 CA SER A 25 12.131 0.143 -6.554 1.00 0.00 C ATOM 398 C SER A 25 12.458 -1.153 -7.301 1.00 0.00 C ATOM 399 O SER A 25 11.757 -1.549 -8.212 1.00 0.00 O ATOM 400 CB SER A 25 12.808 1.335 -7.229 1.00 0.00 C ATOM 401 OG SER A 25 12.261 1.511 -8.530 1.00 0.00 O ATOM 0 H SER A 25 13.557 0.646 -5.046 1.00 0.00 H new ATOM 0 HA SER A 25 11.045 0.241 -6.547 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.660 2.237 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.883 1.169 -7.293 1.00 0.00 H new ATOM 0 HG SER A 25 12.692 2.276 -8.965 1.00 0.00 H new ATOM 407 N ARG A 26 13.515 -1.817 -6.921 1.00 0.00 N ATOM 408 CA ARG A 26 13.885 -3.087 -7.609 1.00 0.00 C ATOM 409 C ARG A 26 13.197 -4.274 -6.929 1.00 0.00 C ATOM 410 O ARG A 26 12.960 -5.299 -7.537 1.00 0.00 O ATOM 411 CB ARG A 26 15.403 -3.190 -7.462 1.00 0.00 C ATOM 412 CG ARG A 26 15.909 -4.412 -8.231 1.00 0.00 C ATOM 413 CD ARG A 26 15.917 -5.631 -7.306 1.00 0.00 C ATOM 414 NE ARG A 26 17.334 -6.090 -7.288 1.00 0.00 N ATOM 415 CZ ARG A 26 17.745 -6.899 -6.350 1.00 0.00 C ATOM 416 NH1 ARG A 26 17.117 -8.023 -6.136 1.00 0.00 N ATOM 417 NH2 ARG A 26 18.785 -6.585 -5.627 1.00 0.00 N ATOM 0 H ARG A 26 14.138 -1.536 -6.164 1.00 0.00 H new ATOM 0 HA ARG A 26 13.576 -3.097 -8.654 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.878 -2.286 -7.842 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.672 -3.273 -6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.271 -4.602 -9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 26 16.913 -4.225 -8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.574 -5.369 -6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.253 -6.412 -7.677 1.00 0.00 H new ATOM 0 HE ARG A 26 17.983 -5.772 -8.008 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.305 -8.269 -6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.438 -8.655 -5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 26 19.277 -5.707 -5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.106 -7.217 -4.894 1.00 0.00 H new ATOM 431 N PHE A 27 12.876 -4.143 -5.671 1.00 0.00 N ATOM 432 CA PHE A 27 12.204 -5.263 -4.952 1.00 0.00 C ATOM 433 C PHE A 27 10.726 -5.333 -5.349 1.00 0.00 C ATOM 434 O PHE A 27 10.072 -6.341 -5.165 1.00 0.00 O ATOM 435 CB PHE A 27 12.345 -4.923 -3.468 1.00 0.00 C ATOM 436 CG PHE A 27 12.870 -6.113 -2.729 1.00 0.00 C ATOM 437 CD1 PHE A 27 14.243 -6.283 -2.583 1.00 0.00 C ATOM 438 CD2 PHE A 27 11.981 -7.038 -2.191 1.00 0.00 C ATOM 439 CE1 PHE A 27 14.739 -7.395 -1.891 1.00 0.00 C ATOM 440 CE2 PHE A 27 12.467 -8.153 -1.498 1.00 0.00 C ATOM 441 CZ PHE A 27 13.849 -8.332 -1.347 1.00 0.00 C ATOM 0 H PHE A 27 13.050 -3.309 -5.110 1.00 0.00 H new ATOM 0 HA PHE A 27 12.644 -6.231 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 27 13.020 -4.076 -3.341 1.00 0.00 H new ATOM 0 HB3 PHE A 27 11.379 -4.625 -3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 27 14.925 -5.559 -3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 27 10.917 -6.896 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 27 15.804 -7.530 -1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 27 11.779 -8.873 -1.081 1.00 0.00 H new ATOM 0 HZ PHE A 27 14.228 -9.191 -0.812 1.00 0.00 H new ATOM 451 N ASN A 28 10.197 -4.270 -5.890 1.00 0.00 N ATOM 452 CA ASN A 28 8.762 -4.272 -6.300 1.00 0.00 C ATOM 453 C ASN A 28 8.398 -5.602 -6.963 1.00 0.00 C ATOM 454 O ASN A 28 7.389 -6.205 -6.657 1.00 0.00 O ATOM 455 CB ASN A 28 8.633 -3.122 -7.296 1.00 0.00 C ATOM 456 CG ASN A 28 7.154 -2.788 -7.503 1.00 0.00 C ATOM 457 OD1 ASN A 28 6.508 -3.352 -8.363 1.00 0.00 O ATOM 458 ND2 ASN A 28 6.589 -1.889 -6.746 1.00 0.00 N ATOM 0 H ASN A 28 10.696 -3.398 -6.067 1.00 0.00 H new ATOM 0 HA ASN A 28 8.091 -4.152 -5.449 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.166 -2.246 -6.927 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.091 -3.397 -8.246 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.604 -1.659 -6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.132 -1.416 -6.024 1.00 0.00 H new ATOM 465 N SER A 29 9.213 -6.062 -7.869 1.00 0.00 N ATOM 466 CA SER A 29 8.917 -7.352 -8.554 1.00 0.00 C ATOM 467 C SER A 29 8.514 -8.415 -7.528 1.00 0.00 C ATOM 468 O SER A 29 7.717 -9.289 -7.807 1.00 0.00 O ATOM 469 CB SER A 29 10.224 -7.740 -9.244 1.00 0.00 C ATOM 470 OG SER A 29 11.206 -8.032 -8.258 1.00 0.00 O ATOM 0 H SER A 29 10.073 -5.601 -8.166 1.00 0.00 H new ATOM 0 HA SER A 29 8.092 -7.266 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.067 -8.607 -9.885 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.566 -6.927 -9.885 1.00 0.00 H new ATOM 0 HG SER A 29 11.706 -7.217 -8.043 1.00 0.00 H new ATOM 476 N GLY A 30 9.058 -8.347 -6.344 1.00 0.00 N ATOM 477 CA GLY A 30 8.704 -9.354 -5.305 1.00 0.00 C ATOM 478 C GLY A 30 7.308 -9.062 -4.774 1.00 0.00 C ATOM 479 O GLY A 30 6.546 -9.957 -4.465 1.00 0.00 O ATOM 0 H GLY A 30 9.731 -7.639 -6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.742 -10.358 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.429 -9.323 -4.491 1.00 0.00 H new ATOM 483 N TYR A 31 6.961 -7.815 -4.682 1.00 0.00 N ATOM 484 CA TYR A 31 5.608 -7.453 -4.189 1.00 0.00 C ATOM 485 C TYR A 31 4.559 -7.805 -5.250 1.00 0.00 C ATOM 486 O TYR A 31 3.378 -7.592 -5.062 1.00 0.00 O ATOM 487 CB TYR A 31 5.664 -5.943 -3.967 1.00 0.00 C ATOM 488 CG TYR A 31 4.434 -5.499 -3.216 1.00 0.00 C ATOM 489 CD1 TYR A 31 4.123 -6.083 -1.983 1.00 0.00 C ATOM 490 CD2 TYR A 31 3.606 -4.508 -3.750 1.00 0.00 C ATOM 491 CE1 TYR A 31 2.982 -5.674 -1.282 1.00 0.00 C ATOM 492 CE2 TYR A 31 2.464 -4.097 -3.051 1.00 0.00 C ATOM 493 CZ TYR A 31 2.152 -4.681 -1.817 1.00 0.00 C ATOM 494 OH TYR A 31 1.027 -4.276 -1.127 1.00 0.00 O ATOM 0 H TYR A 31 7.558 -7.026 -4.928 1.00 0.00 H new ATOM 0 HA TYR A 31 5.335 -7.987 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.561 -5.680 -3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.725 -5.426 -4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.763 -6.849 -1.572 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.847 -4.059 -4.702 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.742 -6.124 -0.330 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.825 -3.330 -3.463 1.00 0.00 H new ATOM 0 HH TYR A 31 0.564 -3.579 -1.637 1.00 0.00 H new ATOM 504 N ILE A 32 4.983 -8.348 -6.364 1.00 0.00 N ATOM 505 CA ILE A 32 4.006 -8.713 -7.429 1.00 0.00 C ATOM 506 C ILE A 32 3.220 -9.959 -7.012 1.00 0.00 C ATOM 507 O ILE A 32 2.119 -10.192 -7.471 1.00 0.00 O ATOM 508 CB ILE A 32 4.857 -8.999 -8.665 1.00 0.00 C ATOM 509 CG1 ILE A 32 5.326 -7.676 -9.276 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.026 -9.768 -9.694 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.111 -6.801 -9.592 1.00 0.00 C ATOM 0 H ILE A 32 5.959 -8.553 -6.579 1.00 0.00 H new ATOM 0 HA ILE A 32 3.277 -7.924 -7.614 1.00 0.00 H new ATOM 0 HB ILE A 32 5.722 -9.597 -8.379 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.990 -7.159 -8.584 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.898 -7.865 -10.185 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.635 -9.971 -10.575 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.690 -10.710 -9.260 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.160 -9.172 -9.981 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.444 -5.859 -10.027 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.464 -7.319 -10.300 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.558 -6.601 -8.674 1.00 0.00 H new ATOM 523 N LYS A 33 3.776 -10.758 -6.143 1.00 0.00 N ATOM 524 CA LYS A 33 3.058 -11.985 -5.694 1.00 0.00 C ATOM 525 C LYS A 33 1.813 -11.600 -4.893 1.00 0.00 C ATOM 526 O LYS A 33 0.827 -12.310 -4.880 1.00 0.00 O ATOM 527 CB LYS A 33 4.059 -12.728 -4.809 1.00 0.00 C ATOM 528 CG LYS A 33 4.887 -13.687 -5.665 1.00 0.00 C ATOM 529 CD LYS A 33 6.258 -13.896 -5.019 1.00 0.00 C ATOM 530 CE LYS A 33 6.359 -15.329 -4.489 1.00 0.00 C ATOM 531 NZ LYS A 33 6.649 -16.162 -5.688 1.00 0.00 N ATOM 0 H LYS A 33 4.695 -10.615 -5.725 1.00 0.00 H new ATOM 0 HA LYS A 33 2.722 -12.599 -6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.713 -12.016 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.532 -13.281 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.370 -14.642 -5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.005 -13.284 -6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.047 -13.710 -5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.401 -13.185 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.150 -15.420 -3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.431 -15.639 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.833 -17.142 -5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.832 -16.141 -6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.485 -15.785 -6.179 1.00 0.00 H new ATOM 545 N ALA A 34 1.850 -10.479 -4.225 1.00 0.00 N ATOM 546 CA ALA A 34 0.666 -10.048 -3.427 1.00 0.00 C ATOM 547 C ALA A 34 -0.534 -9.815 -4.347 1.00 0.00 C ATOM 548 O ALA A 34 -1.670 -10.004 -3.963 1.00 0.00 O ATOM 549 CB ALA A 34 1.093 -8.742 -2.758 1.00 0.00 C ATOM 0 H ALA A 34 2.647 -9.844 -4.197 1.00 0.00 H new ATOM 0 HA ALA A 34 0.364 -10.799 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.273 -8.359 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.960 -8.925 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.351 -8.009 -3.522 1.00 0.00 H new ATOM 555 N SER A 35 -0.289 -9.406 -5.562 1.00 0.00 N ATOM 556 CA SER A 35 -1.418 -9.163 -6.506 1.00 0.00 C ATOM 557 C SER A 35 -2.393 -10.341 -6.466 1.00 0.00 C ATOM 558 O SER A 35 -3.568 -10.198 -6.740 1.00 0.00 O ATOM 559 CB SER A 35 -0.767 -9.048 -7.883 1.00 0.00 C ATOM 560 OG SER A 35 -1.431 -8.040 -8.632 1.00 0.00 O ATOM 0 H SER A 35 0.641 -9.230 -5.942 1.00 0.00 H new ATOM 0 HA SER A 35 -1.987 -8.268 -6.253 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.290 -8.803 -7.779 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.823 -10.003 -8.406 1.00 0.00 H new ATOM 0 HG SER A 35 -1.015 -7.962 -9.516 1.00 0.00 H new ATOM 566 N GLN A 36 -1.916 -11.503 -6.115 1.00 0.00 N ATOM 567 CA GLN A 36 -2.818 -12.688 -6.045 1.00 0.00 C ATOM 568 C GLN A 36 -3.658 -12.611 -4.773 1.00 0.00 C ATOM 569 O GLN A 36 -4.836 -12.910 -4.769 1.00 0.00 O ATOM 570 CB GLN A 36 -1.891 -13.903 -6.000 1.00 0.00 C ATOM 571 CG GLN A 36 -2.639 -15.135 -6.515 1.00 0.00 C ATOM 572 CD GLN A 36 -1.630 -16.186 -6.982 1.00 0.00 C ATOM 573 OE1 GLN A 36 -0.517 -15.859 -7.345 1.00 0.00 O ATOM 574 NE2 GLN A 36 -1.974 -17.445 -6.988 1.00 0.00 N ATOM 0 H GLN A 36 -0.942 -11.684 -5.874 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.503 -12.740 -6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.006 -13.721 -6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.547 -14.073 -4.980 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.270 -15.546 -5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.297 -14.856 -7.338 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.908 -17.720 -6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.309 -18.154 -7.297 1.00 0.00 H new ATOM 583 N GLU A 37 -3.055 -12.202 -3.696 1.00 0.00 N ATOM 584 CA GLU A 37 -3.804 -12.091 -2.412 1.00 0.00 C ATOM 585 C GLU A 37 -4.886 -11.015 -2.531 1.00 0.00 C ATOM 586 O GLU A 37 -5.886 -11.048 -1.841 1.00 0.00 O ATOM 587 CB GLU A 37 -2.757 -11.687 -1.373 1.00 0.00 C ATOM 588 CG GLU A 37 -3.335 -11.866 0.032 1.00 0.00 C ATOM 589 CD GLU A 37 -2.223 -12.289 0.992 1.00 0.00 C ATOM 590 OE1 GLU A 37 -1.373 -11.464 1.284 1.00 0.00 O ATOM 591 OE2 GLU A 37 -2.240 -13.431 1.421 1.00 0.00 O ATOM 0 H GLU A 37 -2.071 -11.938 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.304 -13.021 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.861 -12.296 -1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.459 -10.650 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.788 -10.935 0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.124 -12.618 0.019 1.00 0.00 H new ATOM 598 N LEU A 38 -4.694 -10.062 -3.401 1.00 0.00 N ATOM 599 CA LEU A 38 -5.714 -8.985 -3.564 1.00 0.00 C ATOM 600 C LEU A 38 -6.935 -9.525 -4.311 1.00 0.00 C ATOM 601 O LEU A 38 -8.054 -9.119 -4.067 1.00 0.00 O ATOM 602 CB LEU A 38 -5.019 -7.898 -4.385 1.00 0.00 C ATOM 603 CG LEU A 38 -4.594 -6.754 -3.462 1.00 0.00 C ATOM 604 CD1 LEU A 38 -3.136 -6.389 -3.740 1.00 0.00 C ATOM 605 CD2 LEU A 38 -5.483 -5.534 -3.721 1.00 0.00 C ATOM 0 H LEU A 38 -3.877 -9.981 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.069 -8.605 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.148 -8.312 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.691 -7.525 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.698 -7.067 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.833 -5.574 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.502 -7.257 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.031 -6.075 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.181 -4.718 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.378 -5.221 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.523 -5.793 -3.524 1.00 0.00 H new ATOM 617 N VAL A 39 -6.728 -10.439 -5.216 1.00 0.00 N ATOM 618 CA VAL A 39 -7.876 -11.009 -5.976 1.00 0.00 C ATOM 619 C VAL A 39 -8.730 -11.886 -5.058 1.00 0.00 C ATOM 620 O VAL A 39 -9.909 -12.076 -5.283 1.00 0.00 O ATOM 621 CB VAL A 39 -7.242 -11.847 -7.084 1.00 0.00 C ATOM 622 CG1 VAL A 39 -8.294 -12.780 -7.687 1.00 0.00 C ATOM 623 CG2 VAL A 39 -6.698 -10.921 -8.176 1.00 0.00 C ATOM 0 H VAL A 39 -5.813 -10.817 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.532 -10.236 -6.378 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.427 -12.439 -6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.840 -13.377 -8.478 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.683 -13.440 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.110 -12.188 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.245 -11.518 -8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.514 -10.328 -8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.947 -10.256 -7.749 1.00 0.00 H new ATOM 633 N SER A 40 -8.143 -12.420 -4.022 1.00 0.00 N ATOM 634 CA SER A 40 -8.921 -13.282 -3.087 1.00 0.00 C ATOM 635 C SER A 40 -9.872 -12.424 -2.249 1.00 0.00 C ATOM 636 O SER A 40 -10.896 -12.885 -1.787 1.00 0.00 O ATOM 637 CB SER A 40 -7.873 -13.948 -2.197 1.00 0.00 C ATOM 638 OG SER A 40 -8.309 -15.258 -1.857 1.00 0.00 O ATOM 0 H SER A 40 -7.159 -12.297 -3.783 1.00 0.00 H new ATOM 0 HA SER A 40 -9.533 -14.015 -3.612 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.915 -13.994 -2.715 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.718 -13.358 -1.294 1.00 0.00 H new ATOM 0 HG SER A 40 -7.638 -15.689 -1.287 1.00 0.00 H new ATOM 644 N TYR A 41 -9.539 -11.178 -2.052 1.00 0.00 N ATOM 645 CA TYR A 41 -10.425 -10.289 -1.246 1.00 0.00 C ATOM 646 C TYR A 41 -11.696 -9.959 -2.032 1.00 0.00 C ATOM 647 O TYR A 41 -12.730 -9.663 -1.464 1.00 0.00 O ATOM 648 CB TYR A 41 -9.602 -9.025 -1.001 1.00 0.00 C ATOM 649 CG TYR A 41 -10.057 -8.366 0.279 1.00 0.00 C ATOM 650 CD1 TYR A 41 -9.902 -9.031 1.501 1.00 0.00 C ATOM 651 CD2 TYR A 41 -10.634 -7.092 0.244 1.00 0.00 C ATOM 652 CE1 TYR A 41 -10.324 -8.422 2.689 1.00 0.00 C ATOM 653 CE2 TYR A 41 -11.057 -6.482 1.432 1.00 0.00 C ATOM 654 CZ TYR A 41 -10.902 -7.147 2.654 1.00 0.00 C ATOM 655 OH TYR A 41 -11.318 -6.545 3.824 1.00 0.00 O ATOM 0 H TYR A 41 -8.693 -10.737 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 41 -10.740 -10.756 -0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.543 -9.275 -0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -9.717 -8.336 -1.838 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.457 -10.015 1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.753 -6.579 -0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.204 -8.935 3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.503 -5.499 1.405 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.695 -5.663 3.622 1.00 0.00 H new ATOM 665 N THR A 42 -11.629 -10.009 -3.334 1.00 0.00 N ATOM 666 CA THR A 42 -12.834 -9.699 -4.156 1.00 0.00 C ATOM 667 C THR A 42 -13.712 -10.945 -4.296 1.00 0.00 C ATOM 668 O THR A 42 -14.890 -10.858 -4.582 1.00 0.00 O ATOM 669 CB THR A 42 -12.285 -9.273 -5.518 1.00 0.00 C ATOM 670 OG1 THR A 42 -11.189 -8.389 -5.329 1.00 0.00 O ATOM 671 CG2 THR A 42 -13.383 -8.566 -6.314 1.00 0.00 C ATOM 0 H THR A 42 -10.792 -10.251 -3.865 1.00 0.00 H new ATOM 0 HA THR A 42 -13.453 -8.923 -3.706 1.00 0.00 H new ATOM 0 HB THR A 42 -11.951 -10.153 -6.068 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.835 -8.116 -6.201 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.991 -8.263 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.223 -9.246 -6.458 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.719 -7.685 -5.767 1.00 0.00 H new ATOM 679 N ILE A 43 -13.149 -12.106 -4.096 1.00 0.00 N ATOM 680 CA ILE A 43 -13.954 -13.354 -4.218 1.00 0.00 C ATOM 681 C ILE A 43 -15.185 -13.279 -3.311 1.00 0.00 C ATOM 682 O ILE A 43 -16.194 -13.907 -3.564 1.00 0.00 O ATOM 683 CB ILE A 43 -13.018 -14.473 -3.762 1.00 0.00 C ATOM 684 CG1 ILE A 43 -11.995 -14.762 -4.864 1.00 0.00 C ATOM 685 CG2 ILE A 43 -13.832 -15.738 -3.481 1.00 0.00 C ATOM 686 CD1 ILE A 43 -12.719 -15.272 -6.112 1.00 0.00 C ATOM 0 H ILE A 43 -12.168 -12.244 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 43 -14.318 -13.515 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.500 -14.165 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.434 -13.858 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -11.274 -15.504 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -13.164 -16.536 -3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -14.562 -15.534 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -14.350 -16.046 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.991 -15.478 -6.897 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -13.260 -16.187 -5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -13.422 -14.515 -6.459 1.00 0.00 H new ATOM 698 N LYS A 44 -15.109 -12.517 -2.255 1.00 0.00 N ATOM 699 CA LYS A 44 -16.274 -12.401 -1.333 1.00 0.00 C ATOM 700 C LYS A 44 -16.998 -11.076 -1.562 1.00 0.00 C ATOM 701 O LYS A 44 -17.711 -10.585 -0.709 1.00 0.00 O ATOM 702 CB LYS A 44 -15.674 -12.447 0.071 1.00 0.00 C ATOM 703 CG LYS A 44 -15.282 -13.885 0.413 1.00 0.00 C ATOM 704 CD LYS A 44 -13.758 -14.018 0.392 1.00 0.00 C ATOM 705 CE LYS A 44 -13.357 -15.394 0.930 1.00 0.00 C ATOM 706 NZ LYS A 44 -13.017 -15.161 2.361 1.00 0.00 N ATOM 0 H LYS A 44 -14.290 -11.969 -1.990 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.005 -13.194 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.800 -11.798 0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.395 -12.073 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.667 -14.154 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.728 -14.575 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.385 -13.891 -0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.306 -13.233 0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.172 -16.111 0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.506 -15.800 0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.732 -16.059 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.234 -14.480 2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.848 -14.781 2.858 1.00 0.00 H new ATOM 720 N LEU A 45 -16.816 -10.496 -2.710 1.00 0.00 N ATOM 721 CA LEU A 45 -17.487 -9.198 -3.012 1.00 0.00 C ATOM 722 C LEU A 45 -17.351 -8.867 -4.499 1.00 0.00 C ATOM 723 O LEU A 45 -16.602 -7.990 -4.884 1.00 0.00 O ATOM 724 CB LEU A 45 -16.750 -8.164 -2.161 1.00 0.00 C ATOM 725 CG LEU A 45 -17.725 -7.534 -1.164 1.00 0.00 C ATOM 726 CD1 LEU A 45 -16.941 -6.767 -0.098 1.00 0.00 C ATOM 727 CD2 LEU A 45 -18.657 -6.571 -1.902 1.00 0.00 C ATOM 0 H LEU A 45 -16.229 -10.864 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 45 -18.554 -9.222 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -15.925 -8.637 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.318 -7.393 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.314 -8.318 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -17.636 -6.318 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.276 -7.452 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.351 -5.983 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.352 -6.122 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.068 -5.788 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.216 -7.117 -2.662 1.00 0.00 H new ATOM 739 N SER A 46 -18.068 -9.561 -5.341 1.00 0.00 N ATOM 740 CA SER A 46 -17.979 -9.287 -6.804 1.00 0.00 C ATOM 741 C SER A 46 -18.733 -10.365 -7.587 1.00 0.00 C ATOM 742 O SER A 46 -18.574 -11.546 -7.347 1.00 0.00 O ATOM 743 CB SER A 46 -16.487 -9.335 -7.128 1.00 0.00 C ATOM 744 OG SER A 46 -16.304 -9.924 -8.409 1.00 0.00 O ATOM 0 H SER A 46 -18.712 -10.307 -5.078 1.00 0.00 H new ATOM 0 HA SER A 46 -18.422 -8.328 -7.073 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.067 -8.329 -7.114 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.957 -9.912 -6.370 1.00 0.00 H new ATOM 0 HG SER A 46 -15.348 -9.955 -8.621 1.00 0.00 H new ATOM 750 N HIS A 47 -19.552 -9.968 -8.521 1.00 0.00 N ATOM 751 CA HIS A 47 -20.316 -10.971 -9.320 1.00 0.00 C ATOM 752 C HIS A 47 -21.304 -11.711 -8.424 1.00 0.00 C ATOM 753 O HIS A 47 -21.753 -12.798 -8.733 1.00 0.00 O ATOM 754 CB HIS A 47 -19.261 -11.931 -9.861 1.00 0.00 C ATOM 755 CG HIS A 47 -19.259 -11.883 -11.363 1.00 0.00 C ATOM 756 ND1 HIS A 47 -20.068 -12.708 -12.131 1.00 0.00 N ATOM 757 CD2 HIS A 47 -18.553 -11.116 -12.256 1.00 0.00 C ATOM 758 CE1 HIS A 47 -19.831 -12.420 -13.423 1.00 0.00 C ATOM 759 NE2 HIS A 47 -18.916 -11.456 -13.556 1.00 0.00 N ATOM 0 H HIS A 47 -19.726 -8.993 -8.767 1.00 0.00 H new ATOM 0 HA HIS A 47 -20.895 -10.510 -10.120 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -18.277 -11.660 -9.477 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -19.468 -12.945 -9.520 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -17.826 -10.363 -11.990 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -20.321 -12.909 -14.252 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -18.560 -11.055 -14.424 1.00 0.00 H new ATOM 767 N ASP A 48 -21.642 -11.127 -7.315 1.00 0.00 N ATOM 768 CA ASP A 48 -22.604 -11.783 -6.382 1.00 0.00 C ATOM 769 C ASP A 48 -23.840 -10.903 -6.169 1.00 0.00 C ATOM 770 O ASP A 48 -24.284 -10.714 -5.054 1.00 0.00 O ATOM 771 CB ASP A 48 -21.829 -11.936 -5.079 1.00 0.00 C ATOM 772 CG ASP A 48 -22.415 -13.092 -4.266 1.00 0.00 C ATOM 773 OD1 ASP A 48 -22.722 -14.113 -4.860 1.00 0.00 O ATOM 774 OD2 ASP A 48 -22.545 -12.938 -3.062 1.00 0.00 O ATOM 0 H ASP A 48 -21.294 -10.218 -7.008 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.966 -12.736 -6.767 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -20.776 -12.124 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.879 -11.012 -4.504 1.00 0.00 H new ATOM 779 N PRO A 49 -24.357 -10.398 -7.254 1.00 0.00 N ATOM 780 CA PRO A 49 -25.560 -9.533 -7.198 1.00 0.00 C ATOM 781 C PRO A 49 -26.796 -10.368 -6.864 1.00 0.00 C ATOM 782 O PRO A 49 -27.696 -9.923 -6.178 1.00 0.00 O ATOM 783 CB PRO A 49 -25.656 -8.962 -8.610 1.00 0.00 C ATOM 784 CG PRO A 49 -24.943 -9.952 -9.475 1.00 0.00 C ATOM 785 CD PRO A 49 -23.873 -10.583 -8.623 1.00 0.00 C ATOM 0 HA PRO A 49 -25.498 -8.758 -6.434 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -26.695 -8.844 -8.919 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -25.192 -7.978 -8.671 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -25.634 -10.707 -9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -24.506 -9.461 -10.344 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -23.743 -11.639 -8.862 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -22.907 -10.101 -8.774 1.00 0.00 H new ATOM 793 N ILE A 50 -26.845 -11.578 -7.344 1.00 0.00 N ATOM 794 CA ILE A 50 -28.019 -12.451 -7.058 1.00 0.00 C ATOM 795 C ILE A 50 -28.045 -12.830 -5.575 1.00 0.00 C ATOM 796 O ILE A 50 -29.087 -13.095 -5.010 1.00 0.00 O ATOM 797 CB ILE A 50 -27.813 -13.691 -7.925 1.00 0.00 C ATOM 798 CG1 ILE A 50 -27.617 -13.266 -9.382 1.00 0.00 C ATOM 799 CG2 ILE A 50 -29.040 -14.598 -7.820 1.00 0.00 C ATOM 800 CD1 ILE A 50 -28.774 -12.359 -9.810 1.00 0.00 C ATOM 0 H ILE A 50 -26.121 -12.002 -7.924 1.00 0.00 H new ATOM 0 HA ILE A 50 -28.965 -11.956 -7.276 1.00 0.00 H new ATOM 0 HB ILE A 50 -26.932 -14.232 -7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -26.669 -12.741 -9.494 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -27.573 -14.145 -10.025 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -28.892 -15.483 -8.439 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -29.181 -14.900 -6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -29.922 -14.058 -8.164 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -28.634 -12.056 -10.848 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -29.715 -12.900 -9.713 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -28.797 -11.474 -9.174 1.00 0.00 H new ATOM 812 N GLU A 51 -26.905 -12.857 -4.941 1.00 0.00 N ATOM 813 CA GLU A 51 -26.864 -13.217 -3.495 1.00 0.00 C ATOM 814 C GLU A 51 -27.265 -12.012 -2.640 1.00 0.00 C ATOM 815 O GLU A 51 -27.768 -12.157 -1.544 1.00 0.00 O ATOM 816 CB GLU A 51 -25.411 -13.608 -3.225 1.00 0.00 C ATOM 817 CG GLU A 51 -25.369 -14.954 -2.500 1.00 0.00 C ATOM 818 CD GLU A 51 -24.195 -14.971 -1.521 1.00 0.00 C ATOM 819 OE1 GLU A 51 -24.339 -14.414 -0.445 1.00 0.00 O ATOM 820 OE2 GLU A 51 -23.172 -15.542 -1.861 1.00 0.00 O ATOM 0 H GLU A 51 -26.000 -12.645 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 51 -27.554 -14.024 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -24.860 -13.672 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -24.924 -12.843 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -26.304 -15.120 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -25.266 -15.764 -3.222 1.00 0.00 H new ATOM 827 N TYR A 52 -27.046 -10.825 -3.136 1.00 0.00 N ATOM 828 CA TYR A 52 -27.415 -9.611 -2.354 1.00 0.00 C ATOM 829 C TYR A 52 -28.851 -9.192 -2.693 1.00 0.00 C ATOM 830 O TYR A 52 -29.553 -8.629 -1.875 1.00 0.00 O ATOM 831 CB TYR A 52 -26.394 -8.549 -2.790 1.00 0.00 C ATOM 832 CG TYR A 52 -27.003 -7.168 -2.718 1.00 0.00 C ATOM 833 CD1 TYR A 52 -27.898 -6.753 -3.709 1.00 0.00 C ATOM 834 CD2 TYR A 52 -26.673 -6.307 -1.665 1.00 0.00 C ATOM 835 CE1 TYR A 52 -28.465 -5.474 -3.648 1.00 0.00 C ATOM 836 CE2 TYR A 52 -27.240 -5.028 -1.604 1.00 0.00 C ATOM 837 CZ TYR A 52 -28.136 -4.612 -2.596 1.00 0.00 C ATOM 838 OH TYR A 52 -28.695 -3.351 -2.536 1.00 0.00 O ATOM 0 H TYR A 52 -26.628 -10.643 -4.048 1.00 0.00 H new ATOM 0 HA TYR A 52 -27.390 -9.768 -1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -25.513 -8.598 -2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -26.060 -8.753 -3.807 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -28.152 -7.418 -4.521 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -25.982 -6.629 -0.900 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -29.156 -5.153 -4.413 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -26.986 -4.363 -0.792 1.00 0.00 H new ATOM 0 HH TYR A 52 -28.362 -2.883 -1.742 1.00 0.00 H new ATOM 848 N LEU A 53 -29.294 -9.463 -3.889 1.00 0.00 N ATOM 849 CA LEU A 53 -30.682 -9.082 -4.274 1.00 0.00 C ATOM 850 C LEU A 53 -31.688 -10.020 -3.604 1.00 0.00 C ATOM 851 O LEU A 53 -32.801 -9.638 -3.299 1.00 0.00 O ATOM 852 CB LEU A 53 -30.731 -9.239 -5.794 1.00 0.00 C ATOM 853 CG LEU A 53 -31.511 -8.073 -6.403 1.00 0.00 C ATOM 854 CD1 LEU A 53 -30.555 -7.174 -7.189 1.00 0.00 C ATOM 855 CD2 LEU A 53 -32.587 -8.617 -7.345 1.00 0.00 C ATOM 0 H LEU A 53 -28.755 -9.932 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 53 -30.935 -8.068 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -29.720 -9.265 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.205 -10.184 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 53 -31.981 -7.496 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -31.111 -6.343 -7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.787 -6.786 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -30.085 -7.751 -7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -33.144 -7.787 -7.780 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -32.116 -9.194 -8.141 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -33.269 -9.258 -6.787 1.00 0.00 H new ATOM 867 N LEU A 54 -31.303 -11.243 -3.368 1.00 0.00 N ATOM 868 CA LEU A 54 -32.234 -12.204 -2.713 1.00 0.00 C ATOM 869 C LEU A 54 -32.346 -11.889 -1.221 1.00 0.00 C ATOM 870 O LEU A 54 -33.349 -12.162 -0.590 1.00 0.00 O ATOM 871 CB LEU A 54 -31.600 -13.580 -2.926 1.00 0.00 C ATOM 872 CG LEU A 54 -32.692 -14.601 -3.243 1.00 0.00 C ATOM 873 CD1 LEU A 54 -32.303 -15.394 -4.494 1.00 0.00 C ATOM 874 CD2 LEU A 54 -32.849 -15.561 -2.061 1.00 0.00 C ATOM 0 H LEU A 54 -30.384 -11.619 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 54 -33.241 -12.154 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -30.879 -13.538 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -31.053 -13.882 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 54 -33.634 -14.082 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.082 -16.122 -4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -32.189 -14.712 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -31.361 -15.913 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -33.628 -16.290 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -31.906 -16.079 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -33.125 -14.998 -1.169 1.00 0.00 H new ATOM 886 N GLU A 55 -31.325 -11.311 -0.651 1.00 0.00 N ATOM 887 CA GLU A 55 -31.372 -10.972 0.799 1.00 0.00 C ATOM 888 C GLU A 55 -32.270 -9.755 1.023 1.00 0.00 C ATOM 889 O GLU A 55 -32.926 -9.630 2.039 1.00 0.00 O ATOM 890 CB GLU A 55 -29.926 -10.651 1.181 1.00 0.00 C ATOM 891 CG GLU A 55 -29.719 -10.923 2.673 1.00 0.00 C ATOM 892 CD GLU A 55 -29.573 -12.429 2.902 1.00 0.00 C ATOM 893 OE1 GLU A 55 -29.859 -13.179 1.983 1.00 0.00 O ATOM 894 OE2 GLU A 55 -29.177 -12.806 3.992 1.00 0.00 O ATOM 0 H GLU A 55 -30.459 -11.059 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 55 -31.779 -11.784 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -29.240 -11.258 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -29.702 -9.608 0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -28.830 -10.402 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -30.564 -10.538 3.244 1.00 0.00 H new ATOM 901 N GLN A 56 -32.307 -8.856 0.079 1.00 0.00 N ATOM 902 CA GLN A 56 -33.165 -7.647 0.232 1.00 0.00 C ATOM 903 C GLN A 56 -34.642 -8.032 0.113 1.00 0.00 C ATOM 904 O GLN A 56 -35.512 -7.363 0.633 1.00 0.00 O ATOM 905 CB GLN A 56 -32.757 -6.722 -0.915 1.00 0.00 C ATOM 906 CG GLN A 56 -33.814 -5.630 -1.093 1.00 0.00 C ATOM 907 CD GLN A 56 -34.595 -5.880 -2.384 1.00 0.00 C ATOM 908 OE1 GLN A 56 -34.280 -6.785 -3.132 1.00 0.00 O ATOM 909 NE2 GLN A 56 -35.608 -5.112 -2.680 1.00 0.00 N ATOM 0 H GLN A 56 -31.780 -8.906 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 56 -33.037 -7.169 1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -31.786 -6.272 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -32.651 -7.294 -1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -34.493 -5.624 -0.240 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -33.337 -4.650 -1.128 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -35.873 -4.353 -2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -36.135 -5.271 -3.539 1.00 0.00 H new ATOM 918 N ILE A 57 -34.931 -9.110 -0.564 1.00 0.00 N ATOM 919 CA ILE A 57 -36.349 -9.540 -0.712 1.00 0.00 C ATOM 920 C ILE A 57 -36.756 -10.406 0.487 1.00 0.00 C ATOM 921 O ILE A 57 -37.887 -10.380 0.930 1.00 0.00 O ATOM 922 CB ILE A 57 -36.381 -10.316 -2.043 1.00 0.00 C ATOM 923 CG1 ILE A 57 -37.467 -9.724 -2.943 1.00 0.00 C ATOM 924 CG2 ILE A 57 -36.678 -11.798 -1.806 1.00 0.00 C ATOM 925 CD1 ILE A 57 -36.822 -9.109 -4.186 1.00 0.00 C ATOM 0 H ILE A 57 -34.245 -9.711 -1.021 1.00 0.00 H new ATOM 0 HA ILE A 57 -37.057 -8.712 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 57 -35.404 -10.230 -2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -38.175 -10.500 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -38.030 -8.965 -2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -36.695 -12.323 -2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -35.904 -12.227 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -37.647 -11.901 -1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -37.596 -8.687 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -36.131 -8.321 -3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -36.278 -9.879 -4.733 1.00 0.00 H new ATOM 937 N GLN A 58 -35.837 -11.165 1.016 1.00 0.00 N ATOM 938 CA GLN A 58 -36.166 -12.027 2.187 1.00 0.00 C ATOM 939 C GLN A 58 -36.315 -11.165 3.443 1.00 0.00 C ATOM 940 O GLN A 58 -37.026 -11.509 4.366 1.00 0.00 O ATOM 941 CB GLN A 58 -34.976 -12.978 2.328 1.00 0.00 C ATOM 942 CG GLN A 58 -35.484 -14.398 2.576 1.00 0.00 C ATOM 943 CD GLN A 58 -36.279 -14.877 1.360 1.00 0.00 C ATOM 944 OE1 GLN A 58 -36.299 -14.224 0.336 1.00 0.00 O ATOM 945 NE2 GLN A 58 -36.942 -16.001 1.430 1.00 0.00 N ATOM 0 H GLN A 58 -34.873 -11.226 0.689 1.00 0.00 H new ATOM 0 HA GLN A 58 -37.103 -12.568 2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -34.367 -12.951 1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -34.338 -12.659 3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -34.645 -15.068 2.762 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -36.113 -14.420 3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -36.926 -16.550 2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -37.476 -16.329 0.625 1.00 0.00 H new ATOM 954 N ASN A 59 -35.651 -10.042 3.479 1.00 0.00 N ATOM 955 CA ASN A 59 -35.755 -9.151 4.670 1.00 0.00 C ATOM 956 C ASN A 59 -37.114 -8.451 4.683 1.00 0.00 C ATOM 957 O ASN A 59 -37.683 -8.192 5.724 1.00 0.00 O ATOM 958 CB ASN A 59 -34.627 -8.133 4.501 1.00 0.00 C ATOM 959 CG ASN A 59 -34.047 -7.780 5.872 1.00 0.00 C ATOM 960 OD1 ASN A 59 -33.293 -8.544 6.441 1.00 0.00 O ATOM 961 ND2 ASN A 59 -34.370 -6.645 6.429 1.00 0.00 N ATOM 0 H ASN A 59 -35.041 -9.703 2.735 1.00 0.00 H new ATOM 0 HA ASN A 59 -35.670 -9.699 5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -33.847 -8.542 3.859 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -35.004 -7.235 4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -33.989 -6.399 7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -35.003 -6.004 5.951 1.00 0.00 H new ATOM 968 N LEU A 60 -37.637 -8.143 3.529 1.00 0.00 N ATOM 969 CA LEU A 60 -38.960 -7.461 3.466 1.00 0.00 C ATOM 970 C LEU A 60 -40.088 -8.491 3.545 1.00 0.00 C ATOM 971 O LEU A 60 -41.120 -8.254 4.141 1.00 0.00 O ATOM 972 CB LEU A 60 -38.975 -6.752 2.110 1.00 0.00 C ATOM 973 CG LEU A 60 -39.768 -5.449 2.224 1.00 0.00 C ATOM 974 CD1 LEU A 60 -38.808 -4.260 2.154 1.00 0.00 C ATOM 975 CD2 LEU A 60 -40.770 -5.362 1.070 1.00 0.00 C ATOM 0 H LEU A 60 -37.205 -8.334 2.625 1.00 0.00 H new ATOM 0 HA LEU A 60 -39.107 -6.765 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -37.956 -6.542 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -39.423 -7.398 1.355 1.00 0.00 H new ATOM 0 HG LEU A 60 -40.302 -5.430 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -39.373 -3.331 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -38.092 -4.322 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -38.275 -4.278 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -41.336 -4.434 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -40.234 -5.380 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -41.454 -6.210 1.117 1.00 0.00 H new ATOM 987 N HIS A 61 -39.894 -9.633 2.950 1.00 0.00 N ATOM 988 CA HIS A 61 -40.952 -10.684 2.991 1.00 0.00 C ATOM 989 C HIS A 61 -41.150 -11.173 4.427 1.00 0.00 C ATOM 990 O HIS A 61 -42.216 -11.620 4.801 1.00 0.00 O ATOM 991 CB HIS A 61 -40.422 -11.814 2.107 1.00 0.00 C ATOM 992 CG HIS A 61 -41.529 -12.323 1.225 1.00 0.00 C ATOM 993 ND1 HIS A 61 -41.308 -13.256 0.224 1.00 0.00 N ATOM 994 CD2 HIS A 61 -42.872 -12.037 1.182 1.00 0.00 C ATOM 995 CE1 HIS A 61 -42.489 -13.496 -0.373 1.00 0.00 C ATOM 996 NE2 HIS A 61 -43.476 -12.780 0.172 1.00 0.00 N ATOM 0 H HIS A 61 -39.050 -9.886 2.437 1.00 0.00 H new ATOM 0 HA HIS A 61 -41.917 -10.315 2.644 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -39.593 -11.455 1.497 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -40.035 -12.623 2.726 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -43.381 -11.342 1.833 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -42.623 -14.185 -1.194 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -44.461 -12.778 -0.095 1.00 0.00 H new ATOM 1004 N ARG A 62 -40.128 -11.093 5.234 1.00 0.00 N ATOM 1005 CA ARG A 62 -40.254 -11.551 6.647 1.00 0.00 C ATOM 1006 C ARG A 62 -41.188 -10.620 7.423 1.00 0.00 C ATOM 1007 O ARG A 62 -41.827 -11.018 8.376 1.00 0.00 O ATOM 1008 CB ARG A 62 -38.836 -11.484 7.214 1.00 0.00 C ATOM 1009 CG ARG A 62 -38.546 -12.754 8.017 1.00 0.00 C ATOM 1010 CD ARG A 62 -37.581 -12.428 9.158 1.00 0.00 C ATOM 1011 NE ARG A 62 -36.874 -13.706 9.442 1.00 0.00 N ATOM 1012 CZ ARG A 62 -35.895 -14.096 8.672 1.00 0.00 C ATOM 1013 NH1 ARG A 62 -34.958 -13.254 8.332 1.00 0.00 N ATOM 1014 NH2 ARG A 62 -35.853 -15.328 8.242 1.00 0.00 N ATOM 0 H ARG A 62 -39.210 -10.730 4.976 1.00 0.00 H new ATOM 0 HA ARG A 62 -40.674 -12.554 6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -38.114 -11.380 6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -38.729 -10.606 7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -39.474 -13.164 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -38.114 -13.516 7.368 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -36.880 -11.645 8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -38.116 -12.069 10.037 1.00 0.00 H new ATOM 0 HE ARG A 62 -37.155 -14.278 10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -34.991 -12.291 8.668 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -34.193 -13.558 7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -36.586 -15.986 8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -35.088 -15.632 7.640 1.00 0.00 H new ATOM 1028 N VAL A 63 -41.271 -9.381 7.022 1.00 0.00 N ATOM 1029 CA VAL A 63 -42.164 -8.425 7.737 1.00 0.00 C ATOM 1030 C VAL A 63 -43.626 -8.851 7.583 1.00 0.00 C ATOM 1031 O VAL A 63 -44.458 -8.561 8.419 1.00 0.00 O ATOM 1032 CB VAL A 63 -41.923 -7.076 7.059 1.00 0.00 C ATOM 1033 CG1 VAL A 63 -43.043 -6.106 7.439 1.00 0.00 C ATOM 1034 CG2 VAL A 63 -40.579 -6.508 7.518 1.00 0.00 C ATOM 0 H VAL A 63 -40.760 -8.989 6.231 1.00 0.00 H new ATOM 0 HA VAL A 63 -41.957 -8.386 8.806 1.00 0.00 H new ATOM 0 HB VAL A 63 -41.911 -7.210 5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -42.871 -5.144 6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -44.001 -6.510 7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -43.056 -5.971 8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -40.406 -5.546 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -40.591 -6.374 8.600 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -39.780 -7.199 7.247 1.00 0.00 H new ATOM 1044 N THR A 64 -43.943 -9.540 6.522 1.00 0.00 N ATOM 1045 CA THR A 64 -45.351 -9.987 6.316 1.00 0.00 C ATOM 1046 C THR A 64 -45.619 -11.266 7.113 1.00 0.00 C ATOM 1047 O THR A 64 -46.738 -11.554 7.487 1.00 0.00 O ATOM 1048 CB THR A 64 -45.467 -10.253 4.816 1.00 0.00 C ATOM 1049 OG1 THR A 64 -45.543 -9.016 4.121 1.00 0.00 O ATOM 1050 CG2 THR A 64 -46.725 -11.076 4.536 1.00 0.00 C ATOM 0 H THR A 64 -43.289 -9.813 5.788 1.00 0.00 H new ATOM 0 HA THR A 64 -46.075 -9.245 6.653 1.00 0.00 H new ATOM 0 HB THR A 64 -44.592 -10.807 4.477 1.00 0.00 H new ATOM 0 HG1 THR A 64 -45.616 -9.185 3.159 1.00 0.00 H new ATOM 0 HG21 THR A 64 -46.806 -11.264 3.465 1.00 0.00 H new ATOM 0 HG22 THR A 64 -46.665 -12.025 5.068 1.00 0.00 H new ATOM 0 HG23 THR A 64 -47.603 -10.526 4.875 1.00 0.00 H new ATOM 1058 N LEU A 65 -44.599 -12.035 7.376 1.00 0.00 N ATOM 1059 CA LEU A 65 -44.793 -13.295 8.148 1.00 0.00 C ATOM 1060 C LEU A 65 -44.642 -13.026 9.647 1.00 0.00 C ATOM 1061 O LEU A 65 -45.174 -13.741 10.474 1.00 0.00 O ATOM 1062 CB LEU A 65 -43.690 -14.234 7.658 1.00 0.00 C ATOM 1063 CG LEU A 65 -44.291 -15.602 7.327 1.00 0.00 C ATOM 1064 CD1 LEU A 65 -44.760 -15.615 5.872 1.00 0.00 C ATOM 1065 CD2 LEU A 65 -43.230 -16.686 7.530 1.00 0.00 C ATOM 0 H LEU A 65 -43.639 -11.845 7.090 1.00 0.00 H new ATOM 0 HA LEU A 65 -45.786 -13.720 8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -43.207 -13.815 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -42.921 -14.339 8.423 1.00 0.00 H new ATOM 0 HG LEU A 65 -45.140 -15.795 7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -45.188 -16.589 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -45.515 -14.842 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -43.912 -15.423 5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -43.656 -17.661 7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -42.382 -16.493 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -42.895 -16.677 8.567 1.00 0.00 H new ATOM 1077 N ALA A 66 -43.920 -11.999 10.006 1.00 0.00 N ATOM 1078 CA ALA A 66 -43.736 -11.685 11.452 1.00 0.00 C ATOM 1079 C ALA A 66 -42.984 -12.823 12.148 1.00 0.00 C ATOM 1080 O ALA A 66 -43.542 -13.556 12.941 1.00 0.00 O ATOM 1081 CB ALA A 66 -45.152 -11.557 12.012 1.00 0.00 C ATOM 0 H ALA A 66 -43.450 -11.364 9.361 1.00 0.00 H new ATOM 0 HA ALA A 66 -43.153 -10.777 11.607 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -45.103 -11.326 13.076 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -45.679 -10.758 11.491 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -45.686 -12.496 11.869 1.00 0.00 H new ATOM 1087 N GLU A 67 -41.721 -12.977 11.858 1.00 0.00 N ATOM 1088 CA GLU A 67 -40.935 -14.067 12.503 1.00 0.00 C ATOM 1089 C GLU A 67 -41.720 -15.380 12.463 1.00 0.00 C ATOM 1090 O GLU A 67 -42.260 -15.823 13.458 1.00 0.00 O ATOM 1091 CB GLU A 67 -40.732 -13.608 13.947 1.00 0.00 C ATOM 1092 CG GLU A 67 -39.847 -12.359 13.967 1.00 0.00 C ATOM 1093 CD GLU A 67 -39.176 -12.231 15.335 1.00 0.00 C ATOM 1094 OE1 GLU A 67 -39.048 -13.240 16.008 1.00 0.00 O ATOM 1095 OE2 GLU A 67 -38.801 -11.124 15.688 1.00 0.00 O ATOM 0 H GLU A 67 -41.199 -12.395 11.202 1.00 0.00 H new ATOM 0 HA GLU A 67 -39.987 -14.248 11.996 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -41.695 -13.392 14.410 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -40.269 -14.404 14.531 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -39.091 -12.423 13.184 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -40.446 -11.472 13.760 1.00 0.00 H new ATOM 1102 N GLY A 68 -41.788 -16.008 11.320 1.00 0.00 N ATOM 1103 CA GLY A 68 -42.538 -17.291 11.217 1.00 0.00 C ATOM 1104 C GLY A 68 -41.695 -18.317 10.459 1.00 0.00 C ATOM 1105 O GLY A 68 -42.228 -19.363 10.126 1.00 0.00 O ATOM 1106 OXT GLY A 68 -40.531 -18.040 10.223 1.00 0.00 O ATOM 0 H GLY A 68 -41.356 -15.687 10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -42.777 -17.665 12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -43.485 -17.130 10.701 1.00 0.00 H new TER 1110 GLY A 68