USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 487 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 64:sc= 0.594 USER MOD Single : A 6 LYS NZ :NH3+ -167:sc=-0.00816 (180deg=-0.136) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 140:sc= -0.793 (180deg=-1.93!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 22 THR OG1 : rot 124:sc= 1.91 USER MOD Single : A 26 HIS : no HE2:sc= 0.0524 K(o=0.052,f=-1.2) USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.2) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0.834 (180deg=0.616) USER MOD Single : A 36 SER OG : rot 85:sc= 1.24 USER MOD Single : A 42 HIS : no HD1:sc= 0.659 K(o=0.66,f=-3.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 54 ASN : amide:sc= -0.0369 K(o=-0.037,f=-1.8!) USER MOD Single : A 55 GLN : amide:sc= -0.0145 X(o=-0.014,f=-0.089) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= -1.03 (180deg=-3.23!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.503 -31.239 -11.009 1.00 0.00 N ATOM 2 CA GLY A 1 9.402 -31.597 -12.114 1.00 0.00 C ATOM 3 C GLY A 1 10.757 -30.948 -11.945 1.00 0.00 C ATOM 4 O GLY A 1 11.412 -31.157 -10.922 1.00 0.00 O ATOM 0 H1 GLY A 1 7.580 -31.698 -11.150 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.915 -31.559 -10.109 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.377 -30.207 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.517 -32.680 -12.157 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.961 -31.285 -13.061 1.00 0.00 H new ATOM 10 N PRO A 2 11.209 -30.149 -12.932 1.00 0.00 N ATOM 11 CA PRO A 2 12.500 -29.445 -12.862 1.00 0.00 C ATOM 12 C PRO A 2 12.561 -28.475 -11.681 1.00 0.00 C ATOM 13 O PRO A 2 11.555 -27.844 -11.329 1.00 0.00 O ATOM 14 CB PRO A 2 12.551 -28.663 -14.184 1.00 0.00 C ATOM 15 CG PRO A 2 11.623 -29.402 -15.082 1.00 0.00 C ATOM 16 CD PRO A 2 10.511 -29.870 -14.200 1.00 0.00 C ATOM 0 HA PRO A 2 13.333 -30.134 -12.721 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.234 -27.629 -14.047 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.562 -28.635 -14.591 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.249 -28.758 -15.878 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.125 -30.242 -15.561 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.740 -29.109 -14.080 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.023 -30.759 -14.599 1.00 0.00 H new ATOM 24 N LEU A 3 13.734 -28.358 -11.085 1.00 0.00 N ATOM 25 CA LEU A 3 13.941 -27.473 -9.953 1.00 0.00 C ATOM 26 C LEU A 3 13.831 -26.032 -10.419 1.00 0.00 C ATOM 27 O LEU A 3 14.404 -25.666 -11.461 1.00 0.00 O ATOM 28 CB LEU A 3 15.326 -27.723 -9.333 1.00 0.00 C ATOM 29 CG LEU A 3 15.707 -26.865 -8.118 1.00 0.00 C ATOM 30 CD1 LEU A 3 14.837 -27.204 -6.918 1.00 0.00 C ATOM 31 CD2 LEU A 3 17.181 -27.037 -7.783 1.00 0.00 C ATOM 0 H LEU A 3 14.567 -28.872 -11.371 1.00 0.00 H new ATOM 0 HA LEU A 3 13.182 -27.669 -9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 3 15.382 -28.771 -9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.078 -27.568 -10.107 1.00 0.00 H new ATOM 0 HG LEU A 3 15.533 -25.820 -8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.127 -26.582 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 3 13.791 -27.018 -7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.968 -28.255 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 3 17.432 -26.421 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 3 17.382 -28.083 -7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.786 -26.730 -8.636 1.00 0.00 H new ATOM 43 N GLY A 4 13.087 -25.231 -9.665 1.00 0.00 N ATOM 44 CA GLY A 4 12.881 -23.847 -10.021 1.00 0.00 C ATOM 45 C GLY A 4 14.184 -23.107 -10.157 1.00 0.00 C ATOM 46 O GLY A 4 15.000 -23.083 -9.235 1.00 0.00 O ATOM 0 H GLY A 4 12.620 -25.523 -8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.331 -23.791 -10.960 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.266 -23.364 -9.262 1.00 0.00 H new ATOM 50 N SER A 5 14.387 -22.532 -11.304 1.00 0.00 N ATOM 51 CA SER A 5 15.594 -21.834 -11.611 1.00 0.00 C ATOM 52 C SER A 5 15.263 -20.439 -12.125 1.00 0.00 C ATOM 53 O SER A 5 14.144 -20.190 -12.586 1.00 0.00 O ATOM 54 CB SER A 5 16.390 -22.631 -12.646 1.00 0.00 C ATOM 55 OG SER A 5 16.674 -23.939 -12.154 1.00 0.00 O ATOM 0 H SER A 5 13.706 -22.536 -12.064 1.00 0.00 H new ATOM 0 HA SER A 5 16.203 -21.728 -10.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.824 -22.700 -13.575 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.320 -22.112 -12.877 1.00 0.00 H new ATOM 0 HG SER A 5 15.835 -24.428 -12.022 1.00 0.00 H new ATOM 61 N LYS A 6 16.218 -19.536 -12.016 1.00 0.00 N ATOM 62 CA LYS A 6 16.039 -18.149 -12.419 1.00 0.00 C ATOM 63 C LYS A 6 15.823 -18.029 -13.927 1.00 0.00 C ATOM 64 O LYS A 6 15.095 -17.150 -14.391 1.00 0.00 O ATOM 65 CB LYS A 6 17.225 -17.293 -11.956 1.00 0.00 C ATOM 66 CG LYS A 6 17.078 -15.802 -12.232 1.00 0.00 C ATOM 67 CD LYS A 6 15.888 -15.225 -11.486 1.00 0.00 C ATOM 68 CE LYS A 6 15.847 -13.710 -11.554 1.00 0.00 C ATOM 69 NZ LYS A 6 16.952 -13.076 -10.788 1.00 0.00 N ATOM 0 H LYS A 6 17.145 -19.742 -11.644 1.00 0.00 H new ATOM 0 HA LYS A 6 15.139 -17.772 -11.933 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.365 -17.439 -10.885 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.129 -17.653 -12.447 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.987 -15.282 -11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.955 -15.637 -13.302 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.967 -15.631 -11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.929 -15.539 -10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.904 -13.395 -12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.891 -13.358 -11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.761 -12.060 -10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.021 -13.518 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.848 -13.207 -11.299 1.00 0.00 H new ATOM 83 N TYR A 7 16.451 -18.917 -14.686 1.00 0.00 N ATOM 84 CA TYR A 7 16.324 -18.900 -16.138 1.00 0.00 C ATOM 85 C TYR A 7 15.018 -19.575 -16.568 1.00 0.00 C ATOM 86 O TYR A 7 15.023 -20.587 -17.265 1.00 0.00 O ATOM 87 CB TYR A 7 17.514 -19.599 -16.803 1.00 0.00 C ATOM 88 CG TYR A 7 18.864 -18.999 -16.485 1.00 0.00 C ATOM 89 CD1 TYR A 7 19.320 -17.866 -17.145 1.00 0.00 C ATOM 90 CD2 TYR A 7 19.689 -19.574 -15.526 1.00 0.00 C ATOM 91 CE1 TYR A 7 20.560 -17.325 -16.860 1.00 0.00 C ATOM 92 CE2 TYR A 7 20.929 -19.042 -15.237 1.00 0.00 C ATOM 93 CZ TYR A 7 21.359 -17.918 -15.905 1.00 0.00 C ATOM 94 OH TYR A 7 22.601 -17.391 -15.627 1.00 0.00 O ATOM 0 H TYR A 7 17.052 -19.656 -14.322 1.00 0.00 H new ATOM 0 HA TYR A 7 16.311 -17.859 -16.460 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.518 -20.646 -16.500 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.370 -19.581 -17.883 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.696 -17.400 -17.893 1.00 0.00 H new ATOM 0 HD2 TYR A 7 19.353 -20.454 -14.997 1.00 0.00 H new ATOM 0 HE1 TYR A 7 20.901 -16.443 -17.382 1.00 0.00 H new ATOM 0 HE2 TYR A 7 21.558 -19.505 -14.491 1.00 0.00 H new ATOM 0 HH TYR A 7 23.035 -17.926 -14.930 1.00 0.00 H new ATOM 104 N GLU A 8 13.919 -19.008 -16.123 1.00 0.00 N ATOM 105 CA GLU A 8 12.593 -19.518 -16.395 1.00 0.00 C ATOM 106 C GLU A 8 11.622 -18.352 -16.500 1.00 0.00 C ATOM 107 O GLU A 8 11.501 -17.559 -15.553 1.00 0.00 O ATOM 108 CB GLU A 8 12.160 -20.417 -15.236 1.00 0.00 C ATOM 109 CG GLU A 8 10.789 -21.049 -15.392 1.00 0.00 C ATOM 110 CD GLU A 8 10.379 -21.804 -14.150 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.871 -21.154 -13.206 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.570 -23.039 -14.092 1.00 0.00 O ATOM 0 H GLU A 8 13.922 -18.163 -15.551 1.00 0.00 H new ATOM 0 HA GLU A 8 12.598 -20.083 -17.327 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.898 -21.210 -15.116 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.171 -19.830 -14.317 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.053 -20.274 -15.607 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.796 -21.727 -16.245 1.00 0.00 H new ATOM 119 N CYS A 9 10.938 -18.229 -17.620 1.00 0.00 N ATOM 120 CA CYS A 9 9.935 -17.202 -17.745 1.00 0.00 C ATOM 121 C CYS A 9 8.582 -17.756 -17.320 1.00 0.00 C ATOM 122 O CYS A 9 8.205 -18.871 -17.711 1.00 0.00 O ATOM 123 CB CYS A 9 9.883 -16.594 -19.156 1.00 0.00 C ATOM 124 SG CYS A 9 9.234 -17.660 -20.456 1.00 0.00 S ATOM 0 H CYS A 9 11.058 -18.820 -18.443 1.00 0.00 H new ATOM 0 HA CYS A 9 10.208 -16.382 -17.081 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.275 -15.690 -19.118 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.891 -16.288 -19.435 1.00 0.00 H new ATOM 129 N PRO A 10 7.836 -17.003 -16.505 1.00 0.00 N ATOM 130 CA PRO A 10 6.568 -17.466 -15.929 1.00 0.00 C ATOM 131 C PRO A 10 5.501 -17.766 -16.986 1.00 0.00 C ATOM 132 O PRO A 10 4.512 -18.425 -16.699 1.00 0.00 O ATOM 133 CB PRO A 10 6.129 -16.295 -15.036 1.00 0.00 C ATOM 134 CG PRO A 10 6.839 -15.112 -15.596 1.00 0.00 C ATOM 135 CD PRO A 10 8.164 -15.630 -16.068 1.00 0.00 C ATOM 0 HA PRO A 10 6.694 -18.407 -15.394 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.048 -16.159 -15.063 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.402 -16.466 -13.995 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.276 -14.668 -16.417 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.967 -14.337 -14.841 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.566 -15.030 -16.884 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.908 -15.625 -15.272 1.00 0.00 H new ATOM 143 N ILE A 11 5.692 -17.254 -18.197 1.00 0.00 N ATOM 144 CA ILE A 11 4.741 -17.486 -19.274 1.00 0.00 C ATOM 145 C ILE A 11 4.693 -18.970 -19.685 1.00 0.00 C ATOM 146 O ILE A 11 3.611 -19.545 -19.829 1.00 0.00 O ATOM 147 CB ILE A 11 5.046 -16.595 -20.503 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.811 -15.126 -20.146 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.184 -16.995 -21.704 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.251 -14.155 -21.217 1.00 0.00 C ATOM 0 H ILE A 11 6.493 -16.678 -18.455 1.00 0.00 H new ATOM 0 HA ILE A 11 3.758 -17.212 -18.890 1.00 0.00 H new ATOM 0 HB ILE A 11 6.091 -16.736 -20.781 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.750 -14.976 -19.948 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.343 -14.898 -19.222 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.420 -16.352 -22.552 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.387 -18.033 -21.968 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.130 -16.885 -21.448 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.051 -13.135 -20.888 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.319 -14.274 -21.400 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.701 -14.354 -22.137 1.00 0.00 H new ATOM 162 N CYS A 12 5.852 -19.601 -19.834 1.00 0.00 N ATOM 163 CA CYS A 12 5.871 -21.000 -20.243 1.00 0.00 C ATOM 164 C CYS A 12 6.249 -21.914 -19.088 1.00 0.00 C ATOM 165 O CYS A 12 5.954 -23.109 -19.107 1.00 0.00 O ATOM 166 CB CYS A 12 6.803 -21.226 -21.440 1.00 0.00 C ATOM 167 SG CYS A 12 8.573 -20.914 -21.123 1.00 0.00 S ATOM 0 H CYS A 12 6.769 -19.180 -19.682 1.00 0.00 H new ATOM 0 HA CYS A 12 4.858 -21.254 -20.555 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.688 -22.255 -21.779 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.479 -20.583 -22.258 1.00 0.00 H new ATOM 172 N LEU A 13 6.887 -21.327 -18.071 1.00 0.00 N ATOM 173 CA LEU A 13 7.410 -22.052 -16.906 1.00 0.00 C ATOM 174 C LEU A 13 8.374 -23.160 -17.325 1.00 0.00 C ATOM 175 O LEU A 13 8.587 -24.112 -16.587 1.00 0.00 O ATOM 176 CB LEU A 13 6.281 -22.660 -16.034 1.00 0.00 C ATOM 177 CG LEU A 13 5.232 -21.704 -15.455 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.103 -21.474 -16.445 1.00 0.00 C ATOM 179 CD2 LEU A 13 4.691 -22.231 -14.137 1.00 0.00 C ATOM 0 H LEU A 13 7.058 -20.322 -18.032 1.00 0.00 H new ATOM 0 HA LEU A 13 7.946 -21.314 -16.308 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.760 -23.406 -16.634 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.748 -23.189 -15.203 1.00 0.00 H new ATOM 0 HG LEU A 13 5.717 -20.746 -15.266 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.372 -20.792 -16.011 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.505 -21.040 -17.361 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.621 -22.424 -16.675 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.948 -21.536 -13.745 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.228 -23.205 -14.297 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.508 -22.331 -13.422 1.00 0.00 H new ATOM 191 N MET A 14 8.960 -23.036 -18.504 1.00 0.00 N ATOM 192 CA MET A 14 9.922 -24.028 -18.948 1.00 0.00 C ATOM 193 C MET A 14 11.346 -23.571 -18.680 1.00 0.00 C ATOM 194 O MET A 14 12.041 -24.136 -17.841 1.00 0.00 O ATOM 195 CB MET A 14 9.737 -24.394 -20.429 1.00 0.00 C ATOM 196 CG MET A 14 8.426 -25.109 -20.733 1.00 0.00 C ATOM 197 SD MET A 14 8.298 -25.647 -22.458 1.00 0.00 S ATOM 198 CE MET A 14 8.190 -24.078 -23.322 1.00 0.00 C ATOM 0 H MET A 14 8.791 -22.273 -19.160 1.00 0.00 H new ATOM 0 HA MET A 14 9.736 -24.930 -18.366 1.00 0.00 H new ATOM 0 HB2 MET A 14 9.789 -23.484 -21.027 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.566 -25.029 -20.742 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.331 -25.976 -20.080 1.00 0.00 H new ATOM 0 HG3 MET A 14 7.594 -24.444 -20.503 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.779 -24.126 -24.238 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.149 -23.870 -23.570 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.576 -23.284 -22.683 1.00 0.00 H new ATOM 208 N ALA A 15 11.753 -22.526 -19.374 1.00 0.00 N ATOM 209 CA ALA A 15 13.103 -21.995 -19.294 1.00 0.00 C ATOM 210 C ALA A 15 13.150 -20.700 -20.082 1.00 0.00 C ATOM 211 O ALA A 15 12.105 -20.207 -20.516 1.00 0.00 O ATOM 212 CB ALA A 15 14.099 -23.005 -19.872 1.00 0.00 C ATOM 0 H ALA A 15 11.149 -22.014 -20.018 1.00 0.00 H new ATOM 0 HA ALA A 15 13.374 -21.808 -18.255 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.108 -22.598 -19.808 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.045 -23.934 -19.305 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.853 -23.202 -20.915 1.00 0.00 H new ATOM 218 N LEU A 16 14.332 -20.138 -20.255 1.00 0.00 N ATOM 219 CA LEU A 16 14.477 -18.960 -21.090 1.00 0.00 C ATOM 220 C LEU A 16 15.114 -19.331 -22.412 1.00 0.00 C ATOM 221 O LEU A 16 16.315 -19.589 -22.482 1.00 0.00 O ATOM 222 CB LEU A 16 15.317 -17.880 -20.401 1.00 0.00 C ATOM 223 CG LEU A 16 14.773 -17.313 -19.094 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.724 -16.272 -18.529 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.403 -16.710 -19.312 1.00 0.00 C ATOM 0 H LEU A 16 15.198 -20.474 -19.833 1.00 0.00 H new ATOM 0 HA LEU A 16 13.480 -18.556 -21.264 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.307 -18.293 -20.206 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.448 -17.054 -21.101 1.00 0.00 H new ATOM 0 HG LEU A 16 14.685 -18.127 -18.375 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.320 -15.878 -17.596 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.694 -16.731 -18.339 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.841 -15.459 -19.246 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.028 -16.309 -18.370 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.471 -15.907 -20.046 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.721 -17.478 -19.677 1.00 0.00 H new ATOM 237 N ARG A 17 14.312 -19.363 -23.457 1.00 0.00 N ATOM 238 CA ARG A 17 14.808 -19.670 -24.787 1.00 0.00 C ATOM 239 C ARG A 17 15.674 -18.531 -25.316 1.00 0.00 C ATOM 240 O ARG A 17 16.757 -18.761 -25.851 1.00 0.00 O ATOM 241 CB ARG A 17 13.623 -19.947 -25.732 1.00 0.00 C ATOM 242 CG ARG A 17 13.976 -20.317 -27.179 1.00 0.00 C ATOM 243 CD ARG A 17 14.754 -21.624 -27.282 1.00 0.00 C ATOM 244 NE ARG A 17 16.174 -21.445 -26.973 1.00 0.00 N ATOM 245 CZ ARG A 17 16.945 -22.341 -26.359 1.00 0.00 C ATOM 246 NH1 ARG A 17 16.431 -23.477 -25.912 1.00 0.00 N ATOM 247 NH2 ARG A 17 18.235 -22.090 -26.183 1.00 0.00 N ATOM 0 H ARG A 17 13.310 -19.180 -23.412 1.00 0.00 H new ATOM 0 HA ARG A 17 15.431 -20.563 -24.736 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.030 -20.757 -25.307 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.987 -19.062 -25.751 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.059 -20.399 -27.762 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.565 -19.513 -27.621 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.324 -22.356 -26.598 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.651 -22.029 -28.289 1.00 0.00 H new ATOM 0 HE ARG A 17 16.607 -20.564 -27.250 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.437 -23.671 -26.037 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.029 -24.158 -25.443 1.00 0.00 H new ATOM 0 HH21 ARG A 17 18.634 -21.213 -26.517 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.828 -22.774 -25.713 1.00 0.00 H new ATOM 261 N GLU A 18 15.212 -17.304 -25.130 1.00 0.00 N ATOM 262 CA GLU A 18 15.913 -16.149 -25.690 1.00 0.00 C ATOM 263 C GLU A 18 16.242 -15.113 -24.614 1.00 0.00 C ATOM 264 O GLU A 18 17.052 -14.212 -24.836 1.00 0.00 O ATOM 265 CB GLU A 18 15.072 -15.524 -26.796 1.00 0.00 C ATOM 266 CG GLU A 18 14.769 -16.487 -27.936 1.00 0.00 C ATOM 267 CD GLU A 18 16.003 -16.974 -28.655 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.724 -16.145 -29.236 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.243 -18.195 -28.679 1.00 0.00 O ATOM 0 H GLU A 18 14.367 -17.079 -24.604 1.00 0.00 H new ATOM 0 HA GLU A 18 16.859 -16.494 -26.108 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.134 -15.166 -26.372 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.595 -14.654 -27.193 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.225 -17.345 -27.541 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.111 -15.995 -28.652 1.00 0.00 H new ATOM 276 N ALA A 19 15.592 -15.253 -23.458 1.00 0.00 N ATOM 277 CA ALA A 19 15.855 -14.429 -22.272 1.00 0.00 C ATOM 278 C ALA A 19 15.871 -12.919 -22.570 1.00 0.00 C ATOM 279 O ALA A 19 16.845 -12.231 -22.254 1.00 0.00 O ATOM 280 CB ALA A 19 17.166 -14.859 -21.624 1.00 0.00 C ATOM 0 H ALA A 19 14.860 -15.948 -23.315 1.00 0.00 H new ATOM 0 HA ALA A 19 15.027 -14.594 -21.582 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.356 -14.244 -20.744 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.099 -15.906 -21.327 1.00 0.00 H new ATOM 0 HB3 ALA A 19 17.982 -14.735 -22.336 1.00 0.00 H new ATOM 286 N VAL A 20 14.789 -12.410 -23.136 1.00 0.00 N ATOM 287 CA VAL A 20 14.702 -10.996 -23.464 1.00 0.00 C ATOM 288 C VAL A 20 14.419 -10.156 -22.230 1.00 0.00 C ATOM 289 O VAL A 20 13.406 -10.339 -21.547 1.00 0.00 O ATOM 290 CB VAL A 20 13.707 -10.669 -24.614 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.195 -11.270 -25.921 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.298 -11.148 -24.301 1.00 0.00 C ATOM 0 H VAL A 20 13.960 -12.953 -23.378 1.00 0.00 H new ATOM 0 HA VAL A 20 15.686 -10.727 -23.847 1.00 0.00 H new ATOM 0 HB VAL A 20 13.666 -9.584 -24.714 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.489 -11.033 -26.717 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.173 -10.857 -26.169 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.274 -12.352 -25.817 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.636 -10.899 -25.131 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.305 -12.228 -24.154 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.941 -10.661 -23.394 1.00 0.00 H new ATOM 302 N GLN A 21 15.350 -9.281 -21.927 1.00 0.00 N ATOM 303 CA GLN A 21 15.298 -8.450 -20.743 1.00 0.00 C ATOM 304 C GLN A 21 14.293 -7.314 -20.926 1.00 0.00 C ATOM 305 O GLN A 21 14.255 -6.658 -21.967 1.00 0.00 O ATOM 306 CB GLN A 21 16.701 -7.910 -20.461 1.00 0.00 C ATOM 307 CG GLN A 21 16.854 -7.113 -19.182 1.00 0.00 C ATOM 308 CD GLN A 21 18.275 -6.613 -19.005 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.972 -6.319 -19.980 1.00 0.00 O ATOM 310 NE2 GLN A 21 18.724 -6.533 -17.778 1.00 0.00 N ATOM 0 H GLN A 21 16.177 -9.123 -22.503 1.00 0.00 H new ATOM 0 HA GLN A 21 14.964 -9.041 -19.890 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.394 -8.751 -20.428 1.00 0.00 H new ATOM 0 HB3 GLN A 21 17.003 -7.280 -21.298 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.168 -6.266 -19.196 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.577 -7.734 -18.330 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.119 -6.784 -16.996 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.679 -6.219 -17.604 1.00 0.00 H new ATOM 319 N THR A 22 13.466 -7.120 -19.924 1.00 0.00 N ATOM 320 CA THR A 22 12.454 -6.085 -19.927 1.00 0.00 C ATOM 321 C THR A 22 12.863 -4.940 -18.994 1.00 0.00 C ATOM 322 O THR A 22 13.743 -5.123 -18.139 1.00 0.00 O ATOM 323 CB THR A 22 11.117 -6.673 -19.445 1.00 0.00 C ATOM 324 OG1 THR A 22 11.335 -7.358 -18.213 1.00 0.00 O ATOM 325 CG2 THR A 22 10.565 -7.651 -20.462 1.00 0.00 C ATOM 0 H THR A 22 13.476 -7.683 -19.073 1.00 0.00 H new ATOM 0 HA THR A 22 12.348 -5.701 -20.941 1.00 0.00 H new ATOM 0 HB THR A 22 10.400 -5.863 -19.313 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.743 -6.990 -17.525 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.619 -8.055 -20.102 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.403 -7.138 -21.410 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.276 -8.465 -20.607 1.00 0.00 H new ATOM 333 N PRO A 23 12.236 -3.744 -19.137 1.00 0.00 N ATOM 334 CA PRO A 23 12.517 -2.573 -18.280 1.00 0.00 C ATOM 335 C PRO A 23 12.301 -2.871 -16.792 1.00 0.00 C ATOM 336 O PRO A 23 13.045 -2.378 -15.933 1.00 0.00 O ATOM 337 CB PRO A 23 11.498 -1.537 -18.757 1.00 0.00 C ATOM 338 CG PRO A 23 11.193 -1.933 -20.151 1.00 0.00 C ATOM 339 CD PRO A 23 11.204 -3.428 -20.148 1.00 0.00 C ATOM 0 HA PRO A 23 13.555 -2.251 -18.362 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.602 -1.546 -18.136 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.907 -0.528 -18.711 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.223 -1.547 -20.466 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.935 -1.536 -20.844 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.232 -3.839 -19.876 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.459 -3.833 -21.127 1.00 0.00 H new ATOM 347 N CYS A 24 11.285 -3.679 -16.491 1.00 0.00 N ATOM 348 CA CYS A 24 10.973 -4.037 -15.118 1.00 0.00 C ATOM 349 C CYS A 24 12.051 -4.941 -14.512 1.00 0.00 C ATOM 350 O CYS A 24 12.246 -4.967 -13.292 1.00 0.00 O ATOM 351 CB CYS A 24 9.584 -4.681 -15.024 1.00 0.00 C ATOM 352 SG CYS A 24 9.276 -6.014 -16.230 1.00 0.00 S ATOM 0 H CYS A 24 10.665 -4.096 -17.186 1.00 0.00 H new ATOM 0 HA CYS A 24 10.957 -3.119 -14.531 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.452 -5.082 -14.019 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.830 -3.906 -15.160 1.00 0.00 H new ATOM 357 N GLY A 25 12.750 -5.672 -15.367 1.00 0.00 N ATOM 358 CA GLY A 25 13.826 -6.519 -14.903 1.00 0.00 C ATOM 359 C GLY A 25 13.490 -7.991 -14.968 1.00 0.00 C ATOM 360 O GLY A 25 13.988 -8.787 -14.169 1.00 0.00 O ATOM 0 H GLY A 25 12.590 -5.693 -16.374 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.716 -6.328 -15.503 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.072 -6.253 -13.875 1.00 0.00 H new ATOM 364 N HIS A 26 12.640 -8.356 -15.901 1.00 0.00 N ATOM 365 CA HIS A 26 12.290 -9.752 -16.122 1.00 0.00 C ATOM 366 C HIS A 26 12.829 -10.197 -17.471 1.00 0.00 C ATOM 367 O HIS A 26 13.086 -9.363 -18.338 1.00 0.00 O ATOM 368 CB HIS A 26 10.766 -9.952 -16.101 1.00 0.00 C ATOM 369 CG HIS A 26 10.113 -9.696 -14.778 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.022 -8.847 -14.615 1.00 0.00 N ATOM 371 CD2 HIS A 26 10.379 -10.206 -13.553 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.659 -8.859 -13.339 1.00 0.00 C ATOM 373 NE2 HIS A 26 9.463 -9.671 -12.680 1.00 0.00 N ATOM 0 H HIS A 26 12.171 -7.702 -16.528 1.00 0.00 H new ATOM 0 HA HIS A 26 12.729 -10.346 -15.321 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.318 -9.293 -16.844 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.544 -10.974 -16.407 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.575 -8.305 -15.355 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.166 -10.904 -13.307 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.842 -8.298 -12.911 1.00 0.00 H new ATOM 380 N ARG A 27 13.013 -11.487 -17.650 1.00 0.00 N ATOM 381 CA ARG A 27 13.417 -12.012 -18.941 1.00 0.00 C ATOM 382 C ARG A 27 12.438 -13.070 -19.406 1.00 0.00 C ATOM 383 O ARG A 27 11.950 -13.867 -18.612 1.00 0.00 O ATOM 384 CB ARG A 27 14.849 -12.565 -18.941 1.00 0.00 C ATOM 385 CG ARG A 27 15.935 -11.515 -18.752 1.00 0.00 C ATOM 386 CD ARG A 27 17.317 -12.140 -18.822 1.00 0.00 C ATOM 387 NE ARG A 27 18.393 -11.159 -18.626 1.00 0.00 N ATOM 388 CZ ARG A 27 19.043 -10.509 -19.606 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.692 -10.668 -20.885 1.00 0.00 N ATOM 390 NH2 ARG A 27 20.046 -9.696 -19.301 1.00 0.00 N ATOM 0 H ARG A 27 12.890 -12.191 -16.922 1.00 0.00 H new ATOM 0 HA ARG A 27 13.407 -11.176 -19.640 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.938 -13.307 -18.148 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.024 -13.084 -19.884 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.840 -10.747 -19.520 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.804 -11.021 -17.789 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.398 -12.919 -18.064 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.444 -12.624 -19.790 1.00 0.00 H new ATOM 0 HE ARG A 27 18.670 -10.954 -17.666 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.921 -11.290 -21.129 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.195 -10.168 -21.618 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.320 -9.567 -18.327 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.543 -9.200 -20.041 1.00 0.00 H new ATOM 404 N PHE A 28 12.143 -13.061 -20.688 1.00 0.00 N ATOM 405 CA PHE A 28 11.169 -13.974 -21.264 1.00 0.00 C ATOM 406 C PHE A 28 11.715 -14.575 -22.545 1.00 0.00 C ATOM 407 O PHE A 28 12.716 -14.104 -23.077 1.00 0.00 O ATOM 408 CB PHE A 28 9.867 -13.240 -21.586 1.00 0.00 C ATOM 409 CG PHE A 28 9.194 -12.586 -20.411 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.295 -13.289 -19.629 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.457 -11.263 -20.096 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.671 -12.685 -18.554 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.837 -10.654 -19.025 1.00 0.00 C ATOM 414 CZ PHE A 28 7.942 -11.368 -18.253 1.00 0.00 C ATOM 0 H PHE A 28 12.568 -12.424 -21.362 1.00 0.00 H new ATOM 0 HA PHE A 28 10.972 -14.761 -20.536 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.075 -12.477 -22.336 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.171 -13.948 -22.035 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.078 -14.321 -19.861 1.00 0.00 H new ATOM 0 HD2 PHE A 28 10.157 -10.701 -20.697 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.972 -13.245 -17.950 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.051 -9.622 -18.791 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.455 -10.894 -17.414 1.00 0.00 H new ATOM 424 N CYS A 29 11.089 -15.624 -23.024 1.00 0.00 N ATOM 425 CA CYS A 29 11.426 -16.156 -24.328 1.00 0.00 C ATOM 426 C CYS A 29 10.873 -15.219 -25.403 1.00 0.00 C ATOM 427 O CYS A 29 9.867 -14.531 -25.174 1.00 0.00 O ATOM 428 CB CYS A 29 10.833 -17.546 -24.494 1.00 0.00 C ATOM 429 SG CYS A 29 11.312 -18.718 -23.189 1.00 0.00 S ATOM 0 H CYS A 29 10.347 -16.125 -22.535 1.00 0.00 H new ATOM 0 HA CYS A 29 12.509 -16.228 -24.425 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.746 -17.466 -24.514 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.141 -17.948 -25.459 1.00 0.00 H new ATOM 434 N LYS A 30 11.512 -15.200 -26.568 1.00 0.00 N ATOM 435 CA LYS A 30 11.159 -14.260 -27.635 1.00 0.00 C ATOM 436 C LYS A 30 9.785 -14.598 -28.225 1.00 0.00 C ATOM 437 O LYS A 30 9.182 -13.800 -28.928 1.00 0.00 O ATOM 438 CB LYS A 30 12.227 -14.278 -28.737 1.00 0.00 C ATOM 439 CG LYS A 30 12.067 -13.192 -29.795 1.00 0.00 C ATOM 440 CD LYS A 30 13.154 -13.288 -30.854 1.00 0.00 C ATOM 441 CE LYS A 30 13.010 -12.195 -31.907 1.00 0.00 C ATOM 442 NZ LYS A 30 13.301 -10.843 -31.359 1.00 0.00 N ATOM 0 H LYS A 30 12.282 -15.827 -26.802 1.00 0.00 H new ATOM 0 HA LYS A 30 11.113 -13.259 -27.206 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.209 -14.174 -28.275 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.207 -15.251 -29.228 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.088 -13.282 -30.266 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.104 -12.211 -29.321 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.132 -13.211 -30.380 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.109 -14.265 -31.335 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.686 -12.402 -32.737 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.997 -12.212 -32.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.240 -10.139 -32.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.608 -10.612 -30.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.258 -10.832 -30.953 1.00 0.00 H new ATOM 456 N ALA A 31 9.285 -15.771 -27.905 1.00 0.00 N ATOM 457 CA ALA A 31 8.003 -16.201 -28.422 1.00 0.00 C ATOM 458 C ALA A 31 6.992 -16.321 -27.296 1.00 0.00 C ATOM 459 O ALA A 31 5.821 -16.642 -27.519 1.00 0.00 O ATOM 460 CB ALA A 31 8.152 -17.527 -29.137 1.00 0.00 C ATOM 0 H ALA A 31 9.745 -16.443 -27.291 1.00 0.00 H new ATOM 0 HA ALA A 31 7.643 -15.456 -29.131 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.183 -17.843 -29.523 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.854 -17.418 -29.964 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.527 -18.276 -28.440 1.00 0.00 H new ATOM 466 N CYS A 32 7.442 -16.050 -26.089 1.00 0.00 N ATOM 467 CA CYS A 32 6.566 -16.049 -24.949 1.00 0.00 C ATOM 468 C CYS A 32 5.985 -14.660 -24.727 1.00 0.00 C ATOM 469 O CYS A 32 4.776 -14.454 -24.852 1.00 0.00 O ATOM 470 CB CYS A 32 7.295 -16.539 -23.691 1.00 0.00 C ATOM 471 SG CYS A 32 7.699 -18.323 -23.692 1.00 0.00 S ATOM 0 H CYS A 32 8.415 -15.827 -25.877 1.00 0.00 H new ATOM 0 HA CYS A 32 5.747 -16.740 -25.150 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.218 -15.971 -23.577 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.677 -16.320 -22.820 1.00 0.00 H new ATOM 476 N ILE A 33 6.853 -13.701 -24.419 1.00 0.00 N ATOM 477 CA ILE A 33 6.408 -12.361 -24.059 1.00 0.00 C ATOM 478 C ILE A 33 5.785 -11.610 -25.235 1.00 0.00 C ATOM 479 O ILE A 33 4.755 -10.968 -25.085 1.00 0.00 O ATOM 480 CB ILE A 33 7.532 -11.523 -23.397 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.978 -10.225 -22.815 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.675 -11.239 -24.365 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.963 -10.438 -21.712 1.00 0.00 C ATOM 0 H ILE A 33 7.865 -13.827 -24.412 1.00 0.00 H new ATOM 0 HA ILE A 33 5.623 -12.503 -23.316 1.00 0.00 H new ATOM 0 HB ILE A 33 7.938 -12.119 -22.580 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.804 -9.629 -22.427 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.516 -9.646 -23.615 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.441 -10.650 -23.861 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.107 -12.181 -24.705 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.296 -10.684 -25.223 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.614 -9.472 -21.347 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.118 -11.006 -22.100 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.426 -10.989 -20.893 1.00 0.00 H new ATOM 495 N ILE A 34 6.383 -11.743 -26.408 1.00 0.00 N ATOM 496 CA ILE A 34 5.915 -11.048 -27.599 1.00 0.00 C ATOM 497 C ILE A 34 4.510 -11.509 -27.963 1.00 0.00 C ATOM 498 O ILE A 34 3.626 -10.696 -28.253 1.00 0.00 O ATOM 499 CB ILE A 34 6.893 -11.219 -28.788 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.204 -10.487 -28.470 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.285 -10.688 -30.083 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.303 -10.703 -29.486 1.00 0.00 C ATOM 0 H ILE A 34 7.202 -12.332 -26.562 1.00 0.00 H new ATOM 0 HA ILE A 34 5.879 -9.982 -27.373 1.00 0.00 H new ATOM 0 HB ILE A 34 7.092 -12.281 -28.931 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.000 -9.419 -28.395 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.560 -10.813 -27.493 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.994 -10.822 -30.900 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.368 -11.234 -30.306 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.057 -9.628 -29.970 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.192 -10.150 -29.183 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.539 -11.765 -29.546 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.971 -10.349 -30.462 1.00 0.00 H new ATOM 514 N LYS A 35 4.292 -12.807 -27.866 1.00 0.00 N ATOM 515 CA LYS A 35 3.023 -13.408 -28.225 1.00 0.00 C ATOM 516 C LYS A 35 2.007 -13.190 -27.090 1.00 0.00 C ATOM 517 O LYS A 35 0.856 -13.588 -27.184 1.00 0.00 O ATOM 518 CB LYS A 35 3.227 -14.912 -28.473 1.00 0.00 C ATOM 519 CG LYS A 35 1.989 -15.668 -28.935 1.00 0.00 C ATOM 520 CD LYS A 35 1.525 -15.199 -30.306 1.00 0.00 C ATOM 521 CE LYS A 35 0.425 -16.088 -30.855 1.00 0.00 C ATOM 522 NZ LYS A 35 -0.797 -16.036 -30.019 1.00 0.00 N ATOM 0 H LYS A 35 4.990 -13.474 -27.536 1.00 0.00 H new ATOM 0 HA LYS A 35 2.639 -12.943 -29.133 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.010 -15.037 -29.221 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.590 -15.370 -27.553 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.206 -16.736 -28.969 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.186 -15.529 -28.211 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.165 -14.173 -30.238 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.369 -15.195 -30.995 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.182 -15.779 -31.872 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.783 -17.116 -30.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.480 -16.743 -30.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.550 -16.240 -29.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.220 -15.088 -30.082 1.00 0.00 H new ATOM 536 N SER A 36 2.442 -12.559 -26.023 1.00 0.00 N ATOM 537 CA SER A 36 1.543 -12.236 -24.943 1.00 0.00 C ATOM 538 C SER A 36 1.226 -10.741 -24.910 1.00 0.00 C ATOM 539 O SER A 36 0.200 -10.333 -24.371 1.00 0.00 O ATOM 540 CB SER A 36 2.124 -12.698 -23.610 1.00 0.00 C ATOM 541 OG SER A 36 2.375 -14.096 -23.639 1.00 0.00 O ATOM 0 H SER A 36 3.407 -12.261 -25.882 1.00 0.00 H new ATOM 0 HA SER A 36 0.606 -12.766 -25.115 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.049 -12.160 -23.403 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.431 -12.463 -22.802 1.00 0.00 H new ATOM 0 HG SER A 36 3.251 -14.263 -24.045 1.00 0.00 H new ATOM 547 N ILE A 37 2.070 -9.930 -25.542 1.00 0.00 N ATOM 548 CA ILE A 37 1.901 -8.490 -25.448 1.00 0.00 C ATOM 549 C ILE A 37 1.279 -7.894 -26.702 1.00 0.00 C ATOM 550 O ILE A 37 0.540 -6.925 -26.625 1.00 0.00 O ATOM 551 CB ILE A 37 3.227 -7.746 -25.111 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.301 -8.005 -26.178 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.729 -8.128 -23.728 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.576 -7.214 -25.979 1.00 0.00 C ATOM 0 H ILE A 37 2.858 -10.239 -26.111 1.00 0.00 H new ATOM 0 HA ILE A 37 1.211 -8.340 -24.618 1.00 0.00 H new ATOM 0 HB ILE A 37 3.015 -6.677 -25.109 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.543 -9.068 -26.183 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.888 -7.767 -27.158 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.656 -7.595 -23.517 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.980 -7.862 -22.983 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.912 -9.202 -23.691 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.281 -7.455 -26.774 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.351 -6.148 -26.005 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.016 -7.469 -25.015 1.00 0.00 H new ATOM 566 N ARG A 38 1.540 -8.473 -27.853 1.00 0.00 N ATOM 567 CA ARG A 38 0.941 -7.947 -29.072 1.00 0.00 C ATOM 568 C ARG A 38 -0.277 -8.768 -29.455 1.00 0.00 C ATOM 569 O ARG A 38 -0.905 -8.540 -30.489 1.00 0.00 O ATOM 570 CB ARG A 38 1.952 -7.879 -30.218 1.00 0.00 C ATOM 571 CG ARG A 38 2.364 -9.220 -30.801 1.00 0.00 C ATOM 572 CD ARG A 38 3.401 -9.024 -31.893 1.00 0.00 C ATOM 573 NE ARG A 38 2.881 -8.203 -32.990 1.00 0.00 N ATOM 574 CZ ARG A 38 3.636 -7.569 -33.889 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.959 -7.695 -33.862 1.00 0.00 N ATOM 576 NH2 ARG A 38 3.061 -6.814 -34.817 1.00 0.00 N ATOM 0 H ARG A 38 2.144 -9.285 -27.977 1.00 0.00 H new ATOM 0 HA ARG A 38 0.619 -6.924 -28.876 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.531 -7.268 -31.017 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.846 -7.366 -29.862 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.770 -9.857 -30.015 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.491 -9.731 -31.207 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.288 -8.550 -31.472 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.711 -9.995 -32.280 1.00 0.00 H new ATOM 0 HE ARG A 38 1.869 -8.110 -33.072 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.401 -8.278 -33.152 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.532 -7.208 -34.551 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.046 -6.720 -34.841 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.635 -6.328 -35.506 1.00 0.00 H new ATOM 590 N ASP A 39 -0.611 -9.713 -28.598 1.00 0.00 N ATOM 591 CA ASP A 39 -1.705 -10.637 -28.848 1.00 0.00 C ATOM 592 C ASP A 39 -2.801 -10.430 -27.816 1.00 0.00 C ATOM 593 O ASP A 39 -3.954 -10.183 -28.160 1.00 0.00 O ATOM 594 CB ASP A 39 -1.181 -12.070 -28.771 1.00 0.00 C ATOM 595 CG ASP A 39 -2.181 -13.120 -29.203 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.127 -13.419 -28.444 1.00 0.00 O ATOM 597 OD2 ASP A 39 -2.003 -13.688 -30.293 1.00 0.00 O ATOM 0 H ASP A 39 -0.134 -9.864 -27.709 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.117 -10.454 -29.840 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.291 -12.154 -29.395 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.873 -12.278 -27.746 1.00 0.00 H new ATOM 602 N ALA A 40 -2.434 -10.515 -26.546 1.00 0.00 N ATOM 603 CA ALA A 40 -3.385 -10.308 -25.472 1.00 0.00 C ATOM 604 C ALA A 40 -3.489 -8.826 -25.141 1.00 0.00 C ATOM 605 O ALA A 40 -4.482 -8.171 -25.465 1.00 0.00 O ATOM 606 CB ALA A 40 -2.998 -11.119 -24.241 1.00 0.00 C ATOM 0 H ALA A 40 -1.485 -10.726 -26.237 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.364 -10.655 -25.802 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.726 -10.947 -23.448 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.980 -12.179 -24.494 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.010 -10.811 -23.899 1.00 0.00 H new ATOM 612 N GLY A 41 -2.454 -8.307 -24.528 1.00 0.00 N ATOM 613 CA GLY A 41 -2.392 -6.910 -24.198 1.00 0.00 C ATOM 614 C GLY A 41 -0.969 -6.520 -23.964 1.00 0.00 C ATOM 615 O GLY A 41 -0.164 -7.360 -23.569 1.00 0.00 O ATOM 0 H GLY A 41 -1.633 -8.843 -24.245 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.816 -6.315 -25.007 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.987 -6.708 -23.308 1.00 0.00 H new ATOM 619 N HIS A 42 -0.640 -5.263 -24.193 1.00 0.00 N ATOM 620 CA HIS A 42 0.737 -4.816 -24.077 1.00 0.00 C ATOM 621 C HIS A 42 1.142 -4.587 -22.637 1.00 0.00 C ATOM 622 O HIS A 42 1.276 -3.448 -22.179 1.00 0.00 O ATOM 623 CB HIS A 42 1.027 -3.589 -24.946 1.00 0.00 C ATOM 624 CG HIS A 42 1.413 -3.927 -26.349 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.648 -3.615 -27.452 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.510 -4.549 -26.824 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.263 -4.039 -28.543 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.396 -4.607 -28.181 1.00 0.00 N ATOM 0 H HIS A 42 -1.303 -4.535 -24.459 1.00 0.00 H new ATOM 0 HA HIS A 42 1.355 -5.628 -24.460 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.144 -2.951 -24.965 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.829 -3.010 -24.487 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.331 -4.932 -26.236 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.900 -3.938 -29.555 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.078 -5.023 -28.815 1.00 0.00 H new ATOM 637 N LYS A 43 1.288 -5.678 -21.924 1.00 0.00 N ATOM 638 CA LYS A 43 1.697 -5.676 -20.547 1.00 0.00 C ATOM 639 C LYS A 43 2.386 -6.989 -20.218 1.00 0.00 C ATOM 640 O LYS A 43 2.113 -8.008 -20.862 1.00 0.00 O ATOM 641 CB LYS A 43 0.471 -5.485 -19.645 1.00 0.00 C ATOM 642 CG LYS A 43 -0.547 -6.616 -19.742 1.00 0.00 C ATOM 643 CD LYS A 43 -1.735 -6.390 -18.830 1.00 0.00 C ATOM 644 CE LYS A 43 -2.570 -5.212 -19.302 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.771 -5.012 -18.461 1.00 0.00 N ATOM 0 H LYS A 43 1.121 -6.612 -22.298 1.00 0.00 H new ATOM 0 HA LYS A 43 2.394 -4.856 -20.377 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.803 -5.395 -18.611 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.017 -4.546 -19.906 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.892 -6.705 -20.772 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.066 -7.560 -19.484 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.351 -7.288 -18.801 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.387 -6.209 -17.813 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.962 -4.307 -19.287 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.874 -5.374 -20.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.313 -4.199 -18.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.365 -5.865 -18.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.481 -4.831 -17.479 1.00 0.00 H new ATOM 659 N CYS A 44 3.288 -6.969 -19.250 1.00 0.00 N ATOM 660 CA CYS A 44 3.841 -8.199 -18.735 1.00 0.00 C ATOM 661 C CYS A 44 2.703 -8.969 -18.071 1.00 0.00 C ATOM 662 O CYS A 44 2.041 -8.430 -17.192 1.00 0.00 O ATOM 663 CB CYS A 44 4.886 -7.911 -17.655 1.00 0.00 C ATOM 664 SG CYS A 44 6.131 -6.630 -18.023 1.00 0.00 S ATOM 0 H CYS A 44 3.647 -6.120 -18.812 1.00 0.00 H new ATOM 0 HA CYS A 44 4.304 -8.756 -19.550 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.361 -7.621 -16.745 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.412 -8.841 -17.437 1.00 0.00 H new ATOM 669 N PRO A 45 2.449 -10.216 -18.460 1.00 0.00 N ATOM 670 CA PRO A 45 1.364 -11.003 -17.865 1.00 0.00 C ATOM 671 C PRO A 45 1.593 -11.263 -16.373 1.00 0.00 C ATOM 672 O PRO A 45 0.646 -11.428 -15.604 1.00 0.00 O ATOM 673 CB PRO A 45 1.394 -12.310 -18.663 1.00 0.00 C ATOM 674 CG PRO A 45 2.780 -12.383 -19.198 1.00 0.00 C ATOM 675 CD PRO A 45 3.170 -10.966 -19.496 1.00 0.00 C ATOM 0 HA PRO A 45 0.404 -10.489 -17.915 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.166 -13.168 -18.030 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.657 -12.302 -19.466 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.458 -12.832 -18.472 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.822 -12.999 -20.096 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.248 -10.819 -19.428 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.869 -10.664 -20.499 1.00 0.00 H new ATOM 683 N VAL A 46 2.858 -11.283 -15.971 1.00 0.00 N ATOM 684 CA VAL A 46 3.211 -11.548 -14.592 1.00 0.00 C ATOM 685 C VAL A 46 3.021 -10.317 -13.672 1.00 0.00 C ATOM 686 O VAL A 46 2.307 -10.396 -12.670 1.00 0.00 O ATOM 687 CB VAL A 46 4.643 -12.163 -14.456 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.721 -11.265 -15.048 1.00 0.00 C ATOM 689 CG2 VAL A 46 4.961 -12.515 -13.011 1.00 0.00 C ATOM 0 H VAL A 46 3.655 -11.118 -16.586 1.00 0.00 H new ATOM 0 HA VAL A 46 2.504 -12.301 -14.243 1.00 0.00 H new ATOM 0 HB VAL A 46 4.641 -13.085 -15.038 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.695 -11.738 -14.927 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.522 -11.108 -16.108 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.718 -10.305 -14.533 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.963 -12.940 -12.952 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.912 -11.615 -12.398 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.236 -13.243 -12.646 1.00 0.00 H new ATOM 699 N ASP A 47 3.638 -9.185 -14.018 1.00 0.00 N ATOM 700 CA ASP A 47 3.593 -8.002 -13.154 1.00 0.00 C ATOM 701 C ASP A 47 2.675 -6.898 -13.680 1.00 0.00 C ATOM 702 O ASP A 47 2.597 -5.823 -13.089 1.00 0.00 O ATOM 703 CB ASP A 47 5.011 -7.456 -12.869 1.00 0.00 C ATOM 704 CG ASP A 47 5.843 -7.184 -14.115 1.00 0.00 C ATOM 705 OD1 ASP A 47 6.005 -8.077 -14.947 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.390 -6.089 -14.267 1.00 0.00 O ATOM 0 H ASP A 47 4.169 -9.062 -14.880 1.00 0.00 H new ATOM 0 HA ASP A 47 3.157 -8.338 -12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.923 -6.532 -12.297 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.543 -8.171 -12.241 1.00 0.00 H new ATOM 711 N ASN A 48 1.968 -7.177 -14.771 1.00 0.00 N ATOM 712 CA ASN A 48 0.958 -6.261 -15.346 1.00 0.00 C ATOM 713 C ASN A 48 1.485 -4.849 -15.644 1.00 0.00 C ATOM 714 O ASN A 48 0.740 -3.867 -15.553 1.00 0.00 O ATOM 715 CB ASN A 48 -0.329 -6.209 -14.499 1.00 0.00 C ATOM 716 CG ASN A 48 -1.180 -7.458 -14.637 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.970 -7.584 -15.573 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.049 -8.377 -13.707 1.00 0.00 N ATOM 0 H ASN A 48 2.072 -8.047 -15.293 1.00 0.00 H new ATOM 0 HA ASN A 48 0.710 -6.695 -16.314 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.062 -6.071 -13.451 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.917 -5.340 -14.795 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.612 -9.227 -13.747 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.385 -8.241 -12.945 1.00 0.00 H new ATOM 725 N GLU A 49 2.743 -4.747 -16.034 1.00 0.00 N ATOM 726 CA GLU A 49 3.314 -3.464 -16.433 1.00 0.00 C ATOM 727 C GLU A 49 3.262 -3.338 -17.935 1.00 0.00 C ATOM 728 O GLU A 49 3.485 -4.312 -18.629 1.00 0.00 O ATOM 729 CB GLU A 49 4.756 -3.328 -15.948 1.00 0.00 C ATOM 730 CG GLU A 49 4.893 -3.230 -14.444 1.00 0.00 C ATOM 731 CD GLU A 49 4.206 -2.010 -13.876 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.512 -0.877 -14.311 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.347 -2.165 -12.989 1.00 0.00 O ATOM 0 H GLU A 49 3.391 -5.533 -16.084 1.00 0.00 H new ATOM 0 HA GLU A 49 2.729 -2.666 -15.976 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.329 -4.186 -16.300 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.199 -2.441 -16.401 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.473 -4.125 -13.986 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.950 -3.203 -14.180 1.00 0.00 H new ATOM 740 N ILE A 50 2.969 -2.141 -18.434 1.00 0.00 N ATOM 741 CA ILE A 50 2.828 -1.945 -19.878 1.00 0.00 C ATOM 742 C ILE A 50 4.164 -2.187 -20.568 1.00 0.00 C ATOM 743 O ILE A 50 5.170 -1.528 -20.269 1.00 0.00 O ATOM 744 CB ILE A 50 2.261 -0.532 -20.248 1.00 0.00 C ATOM 745 CG1 ILE A 50 0.745 -0.449 -19.989 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.561 -0.165 -21.702 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.337 -0.489 -18.531 1.00 0.00 C ATOM 0 H ILE A 50 2.826 -1.302 -17.872 1.00 0.00 H new ATOM 0 HA ILE A 50 2.098 -2.672 -20.233 1.00 0.00 H new ATOM 0 HB ILE A 50 2.765 0.187 -19.602 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.367 0.473 -20.430 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.258 -1.274 -20.509 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.152 0.821 -21.920 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.640 -0.153 -21.859 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.106 -0.901 -22.364 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.748 -0.425 -18.455 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.677 -1.423 -18.083 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.788 0.352 -18.004 1.00 0.00 H new ATOM 759 N LEU A 51 4.162 -3.138 -21.479 1.00 0.00 N ATOM 760 CA LEU A 51 5.366 -3.594 -22.118 1.00 0.00 C ATOM 761 C LEU A 51 5.188 -3.651 -23.633 1.00 0.00 C ATOM 762 O LEU A 51 4.183 -4.161 -24.129 1.00 0.00 O ATOM 763 CB LEU A 51 5.738 -4.968 -21.557 1.00 0.00 C ATOM 764 CG LEU A 51 6.992 -5.622 -22.118 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.215 -4.763 -21.841 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.167 -6.997 -21.516 1.00 0.00 C ATOM 0 H LEU A 51 3.317 -3.615 -21.794 1.00 0.00 H new ATOM 0 HA LEU A 51 6.174 -2.892 -21.912 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.858 -4.873 -20.478 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.899 -5.642 -21.726 1.00 0.00 H new ATOM 0 HG LEU A 51 6.883 -5.719 -23.198 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.101 -5.249 -22.250 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.087 -3.787 -22.309 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.335 -4.637 -20.765 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.067 -7.460 -21.922 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.260 -6.911 -20.433 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.301 -7.613 -21.758 1.00 0.00 H new ATOM 778 N LEU A 52 6.152 -3.115 -24.355 1.00 0.00 N ATOM 779 CA LEU A 52 6.117 -3.098 -25.814 1.00 0.00 C ATOM 780 C LEU A 52 7.280 -3.924 -26.348 1.00 0.00 C ATOM 781 O LEU A 52 8.267 -4.119 -25.638 1.00 0.00 O ATOM 782 CB LEU A 52 6.219 -1.657 -26.366 1.00 0.00 C ATOM 783 CG LEU A 52 5.151 -0.630 -25.927 1.00 0.00 C ATOM 784 CD1 LEU A 52 3.745 -1.171 -26.088 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.394 -0.113 -24.511 1.00 0.00 C ATOM 0 H LEU A 52 6.982 -2.679 -23.953 1.00 0.00 H new ATOM 0 HA LEU A 52 5.166 -3.519 -26.140 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.196 -1.262 -26.087 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.198 -1.715 -27.454 1.00 0.00 H new ATOM 0 HG LEU A 52 5.248 0.223 -26.598 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.026 -0.417 -25.768 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.568 -1.420 -27.134 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.628 -2.066 -25.478 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.618 0.606 -24.248 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.369 -0.947 -23.810 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.369 0.372 -24.463 1.00 0.00 H new ATOM 797 N GLU A 53 7.166 -4.402 -27.586 1.00 0.00 N ATOM 798 CA GLU A 53 8.231 -5.195 -28.213 1.00 0.00 C ATOM 799 C GLU A 53 9.516 -4.374 -28.278 1.00 0.00 C ATOM 800 O GLU A 53 10.610 -4.889 -28.080 1.00 0.00 O ATOM 801 CB GLU A 53 7.852 -5.635 -29.648 1.00 0.00 C ATOM 802 CG GLU A 53 6.542 -6.411 -29.782 1.00 0.00 C ATOM 803 CD GLU A 53 5.341 -5.500 -29.913 1.00 0.00 C ATOM 804 OE1 GLU A 53 4.896 -4.926 -28.901 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.849 -5.327 -31.031 1.00 0.00 O ATOM 0 H GLU A 53 6.348 -4.256 -28.178 1.00 0.00 H new ATOM 0 HA GLU A 53 8.375 -6.087 -27.603 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.792 -4.746 -30.276 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.659 -6.251 -30.044 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.597 -7.063 -30.654 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.413 -7.054 -28.911 1.00 0.00 H new ATOM 812 N ASN A 54 9.355 -3.086 -28.538 1.00 0.00 N ATOM 813 CA ASN A 54 10.468 -2.136 -28.636 1.00 0.00 C ATOM 814 C ASN A 54 11.175 -1.979 -27.296 1.00 0.00 C ATOM 815 O ASN A 54 12.363 -1.691 -27.237 1.00 0.00 O ATOM 816 CB ASN A 54 9.964 -0.764 -29.102 1.00 0.00 C ATOM 817 CG ASN A 54 9.464 -0.754 -30.536 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.091 -1.788 -31.093 1.00 0.00 O ATOM 819 ND2 ASN A 54 9.431 0.417 -31.137 1.00 0.00 N ATOM 0 H ASN A 54 8.441 -2.660 -28.690 1.00 0.00 H new ATOM 0 HA ASN A 54 11.175 -2.532 -29.365 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.159 -0.439 -28.443 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.770 -0.037 -29.002 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.088 0.489 -32.095 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.748 1.252 -30.645 1.00 0.00 H new ATOM 826 N GLN A 55 10.422 -2.158 -26.225 1.00 0.00 N ATOM 827 CA GLN A 55 10.927 -1.989 -24.868 1.00 0.00 C ATOM 828 C GLN A 55 11.760 -3.192 -24.437 1.00 0.00 C ATOM 829 O GLN A 55 12.464 -3.144 -23.428 1.00 0.00 O ATOM 830 CB GLN A 55 9.759 -1.769 -23.910 1.00 0.00 C ATOM 831 CG GLN A 55 8.986 -0.491 -24.187 1.00 0.00 C ATOM 832 CD GLN A 55 9.778 0.761 -23.887 1.00 0.00 C ATOM 833 OE1 GLN A 55 10.506 1.277 -24.737 1.00 0.00 O ATOM 834 NE2 GLN A 55 9.629 1.267 -22.685 1.00 0.00 N ATOM 0 H GLN A 55 9.439 -2.426 -26.269 1.00 0.00 H new ATOM 0 HA GLN A 55 11.577 -1.115 -24.844 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.079 -2.618 -23.977 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.137 -1.742 -22.888 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.681 -0.478 -25.233 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.075 -0.489 -23.589 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.016 0.808 -22.011 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.126 2.119 -22.425 1.00 0.00 H new ATOM 843 N LEU A 56 11.659 -4.271 -25.192 1.00 0.00 N ATOM 844 CA LEU A 56 12.432 -5.464 -24.920 1.00 0.00 C ATOM 845 C LEU A 56 13.867 -5.247 -25.372 1.00 0.00 C ATOM 846 O LEU A 56 14.112 -4.701 -26.457 1.00 0.00 O ATOM 847 CB LEU A 56 11.846 -6.657 -25.693 1.00 0.00 C ATOM 848 CG LEU A 56 10.393 -7.030 -25.390 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.939 -8.166 -26.287 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.233 -7.416 -23.936 1.00 0.00 C ATOM 0 H LEU A 56 11.044 -4.343 -26.003 1.00 0.00 H new ATOM 0 HA LEU A 56 12.401 -5.671 -23.850 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.927 -6.444 -26.759 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.469 -7.529 -25.495 1.00 0.00 H new ATOM 0 HG LEU A 56 9.769 -6.158 -25.587 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.904 -8.419 -26.058 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.016 -7.859 -27.330 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.571 -9.038 -26.118 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.193 -7.678 -23.741 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.870 -8.272 -23.715 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.521 -6.577 -23.303 1.00 0.00 H new ATOM 862 N PHE A 57 14.811 -5.657 -24.558 1.00 0.00 N ATOM 863 CA PHE A 57 16.196 -5.615 -24.954 1.00 0.00 C ATOM 864 C PHE A 57 16.448 -6.711 -25.974 1.00 0.00 C ATOM 865 O PHE A 57 15.811 -7.768 -25.914 1.00 0.00 O ATOM 866 CB PHE A 57 17.126 -5.746 -23.741 1.00 0.00 C ATOM 867 CG PHE A 57 17.131 -4.527 -22.857 1.00 0.00 C ATOM 868 CD1 PHE A 57 17.950 -3.451 -23.151 1.00 0.00 C ATOM 869 CD2 PHE A 57 16.320 -4.454 -21.737 1.00 0.00 C ATOM 870 CE1 PHE A 57 17.961 -2.328 -22.345 1.00 0.00 C ATOM 871 CE2 PHE A 57 16.324 -3.335 -20.929 1.00 0.00 C ATOM 872 CZ PHE A 57 17.146 -2.270 -21.233 1.00 0.00 C ATOM 0 H PHE A 57 14.645 -6.022 -23.620 1.00 0.00 H new ATOM 0 HA PHE A 57 16.414 -4.649 -25.409 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.823 -6.612 -23.152 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.141 -5.937 -24.090 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.589 -3.489 -24.021 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.675 -5.285 -21.492 1.00 0.00 H new ATOM 0 HE1 PHE A 57 18.607 -1.497 -22.585 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.684 -3.293 -20.060 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.152 -1.393 -20.603 1.00 0.00 H new ATOM 882 N PRO A 58 17.372 -6.490 -26.923 1.00 0.00 N ATOM 883 CA PRO A 58 17.570 -7.403 -28.046 1.00 0.00 C ATOM 884 C PRO A 58 18.001 -8.778 -27.591 1.00 0.00 C ATOM 885 O PRO A 58 18.720 -8.928 -26.591 1.00 0.00 O ATOM 886 CB PRO A 58 18.681 -6.731 -28.864 1.00 0.00 C ATOM 887 CG PRO A 58 19.389 -5.872 -27.881 1.00 0.00 C ATOM 888 CD PRO A 58 18.313 -5.355 -26.974 1.00 0.00 C ATOM 0 HA PRO A 58 16.651 -7.564 -28.610 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.352 -7.468 -29.305 1.00 0.00 H new ATOM 0 HB3 PRO A 58 18.271 -6.142 -29.685 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.135 -6.440 -27.325 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.914 -5.055 -28.376 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.700 -5.103 -25.987 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.844 -4.455 -27.372 1.00 0.00 H new ATOM 896 N ASP A 59 17.555 -9.777 -28.312 1.00 0.00 N ATOM 897 CA ASP A 59 17.894 -11.144 -28.004 1.00 0.00 C ATOM 898 C ASP A 59 19.310 -11.445 -28.470 1.00 0.00 C ATOM 899 O ASP A 59 19.553 -11.816 -29.614 1.00 0.00 O ATOM 900 CB ASP A 59 16.862 -12.131 -28.583 1.00 0.00 C ATOM 901 CG ASP A 59 16.599 -11.942 -30.071 1.00 0.00 C ATOM 902 OD1 ASP A 59 15.837 -11.010 -30.430 1.00 0.00 O ATOM 903 OD2 ASP A 59 17.137 -12.717 -30.891 1.00 0.00 O ATOM 0 H ASP A 59 16.949 -9.666 -29.125 1.00 0.00 H new ATOM 0 HA ASP A 59 17.862 -11.276 -26.923 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.211 -13.149 -28.412 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.923 -12.020 -28.041 1.00 0.00 H new ATOM 908 N ASN A 60 20.239 -11.216 -27.579 1.00 0.00 N ATOM 909 CA ASN A 60 21.647 -11.377 -27.853 1.00 0.00 C ATOM 910 C ASN A 60 22.319 -11.910 -26.608 1.00 0.00 C ATOM 911 O ASN A 60 21.994 -11.475 -25.500 1.00 0.00 O ATOM 912 CB ASN A 60 22.253 -10.019 -28.226 1.00 0.00 C ATOM 913 CG ASN A 60 23.708 -10.106 -28.634 1.00 0.00 C ATOM 914 OD1 ASN A 60 24.138 -11.086 -29.234 1.00 0.00 O ATOM 915 ND2 ASN A 60 24.477 -9.093 -28.297 1.00 0.00 N ATOM 0 H ASN A 60 20.038 -10.908 -26.628 1.00 0.00 H new ATOM 0 HA ASN A 60 21.793 -12.070 -28.681 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.678 -9.585 -29.044 1.00 0.00 H new ATOM 0 HB3 ASN A 60 22.161 -9.342 -27.377 1.00 0.00 H new ATOM 0 HD21 ASN A 60 25.469 -9.105 -28.534 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.081 -8.296 -27.798 1.00 0.00 H new ATOM 922 N PHE A 61 23.225 -12.852 -26.763 1.00 0.00 N ATOM 923 CA PHE A 61 23.915 -13.415 -25.620 1.00 0.00 C ATOM 924 C PHE A 61 25.407 -13.135 -25.688 1.00 0.00 C ATOM 925 O PHE A 61 26.148 -13.795 -26.419 1.00 0.00 O ATOM 926 CB PHE A 61 23.658 -14.921 -25.502 1.00 0.00 C ATOM 927 CG PHE A 61 22.230 -15.274 -25.200 1.00 0.00 C ATOM 928 CD1 PHE A 61 21.786 -15.333 -23.889 1.00 0.00 C ATOM 929 CD2 PHE A 61 21.334 -15.549 -26.220 1.00 0.00 C ATOM 930 CE1 PHE A 61 20.479 -15.661 -23.603 1.00 0.00 C ATOM 931 CE2 PHE A 61 20.023 -15.876 -25.935 1.00 0.00 C ATOM 932 CZ PHE A 61 19.598 -15.932 -24.626 1.00 0.00 C ATOM 0 H PHE A 61 23.500 -13.243 -27.664 1.00 0.00 H new ATOM 0 HA PHE A 61 23.517 -12.932 -24.728 1.00 0.00 H new ATOM 0 HB2 PHE A 61 23.952 -15.404 -26.434 1.00 0.00 H new ATOM 0 HB3 PHE A 61 24.296 -15.328 -24.718 1.00 0.00 H new ATOM 0 HD1 PHE A 61 22.472 -15.120 -23.083 1.00 0.00 H new ATOM 0 HD2 PHE A 61 21.664 -15.507 -27.248 1.00 0.00 H new ATOM 0 HE1 PHE A 61 20.145 -15.706 -22.577 1.00 0.00 H new ATOM 0 HE2 PHE A 61 19.332 -16.088 -26.737 1.00 0.00 H new ATOM 0 HZ PHE A 61 18.573 -16.189 -24.402 1.00 0.00 H new ATOM 942 N ALA A 62 25.840 -12.151 -24.933 1.00 0.00 N ATOM 943 CA ALA A 62 27.240 -11.804 -24.864 1.00 0.00 C ATOM 944 C ALA A 62 27.662 -11.662 -23.419 1.00 0.00 C ATOM 945 O ALA A 62 26.988 -10.986 -22.634 1.00 0.00 O ATOM 946 CB ALA A 62 27.507 -10.506 -25.613 1.00 0.00 C ATOM 0 H ALA A 62 25.234 -11.571 -24.352 1.00 0.00 H new ATOM 0 HA ALA A 62 27.820 -12.599 -25.332 1.00 0.00 H new ATOM 0 HB1 ALA A 62 28.567 -10.261 -25.550 1.00 0.00 H new ATOM 0 HB2 ALA A 62 27.224 -10.625 -26.659 1.00 0.00 H new ATOM 0 HB3 ALA A 62 26.922 -9.702 -25.167 1.00 0.00 H new ATOM 952 N LYS A 63 28.756 -12.293 -23.068 1.00 0.00 N ATOM 953 CA LYS A 63 29.293 -12.211 -21.735 1.00 0.00 C ATOM 954 C LYS A 63 30.753 -12.629 -21.756 1.00 0.00 C ATOM 955 O LYS A 63 31.619 -11.733 -21.830 1.00 0.00 O ATOM 956 CB LYS A 63 28.460 -13.065 -20.763 1.00 0.00 C ATOM 957 CG LYS A 63 28.842 -12.913 -19.296 1.00 0.00 C ATOM 958 CD LYS A 63 27.859 -13.629 -18.353 1.00 0.00 C ATOM 959 CE LYS A 63 27.982 -15.157 -18.361 1.00 0.00 C ATOM 960 NZ LYS A 63 27.537 -15.780 -19.633 1.00 0.00 N ATOM 961 OXT LYS A 63 31.034 -13.843 -21.751 1.00 0.00 O ATOM 0 H LYS A 63 29.299 -12.879 -23.702 1.00 0.00 H new ATOM 0 HA LYS A 63 29.239 -11.183 -21.378 1.00 0.00 H new ATOM 0 HB2 LYS A 63 27.408 -12.803 -20.880 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.560 -14.113 -21.044 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.844 -13.312 -19.142 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.878 -11.854 -19.041 1.00 0.00 H new ATOM 0 HD2 LYS A 63 28.019 -13.268 -17.337 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.841 -13.356 -18.632 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.021 -15.431 -18.175 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.393 -15.565 -17.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.011 -16.653 -19.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.921 -15.118 -20.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.367 -16.006 -20.218 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.319 -19.053 -22.134 1.00 0.00 ZN HETATM 977 ZN ZN A 66 7.328 -7.004 -15.866 1.00 0.00 ZN