USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 603 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.0509 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 43:sc= 0.231 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 52:sc= -4.47! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.478 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.1!) USER MOD Single : A 30 ASN : amide:sc= -1.67 K(o=-1.7,f=-0.69!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -0.0898 (180deg=-1.25) USER MOD Single : A 47 LYS NZ :NH3+ 146:sc= -0.156 (180deg=-1.66!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.382 K(o=-0.38,f=-1.5!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 140:sc= -0.375 (180deg=-1.69!) USER MOD Single : A 62 MET CE :methyl -154:sc= -2.33! (180deg=-2.83!) USER MOD Single : A 66 THR OG1 : rot 79:sc= 0.864 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 172:sc= -0.567 (180deg=-0.737) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.925 3.973 5.321 1.00 0.00 N ATOM 2 CA MET A 1 -12.556 5.191 5.900 1.00 0.00 C ATOM 3 C MET A 1 -13.071 6.086 4.771 1.00 0.00 C ATOM 4 O MET A 1 -12.309 6.601 3.976 1.00 0.00 O ATOM 5 CB MET A 1 -11.521 5.955 6.728 1.00 0.00 C ATOM 6 CG MET A 1 -11.482 5.384 8.146 1.00 0.00 C ATOM 7 SD MET A 1 -10.058 4.279 8.313 1.00 0.00 S ATOM 8 CE MET A 1 -9.607 4.742 10.003 1.00 0.00 C ATOM 0 H1 MET A 1 -11.170 3.639 5.954 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.642 3.228 5.214 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.521 4.200 4.390 1.00 0.00 H new ATOM 0 HA MET A 1 -13.390 4.900 6.539 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.538 5.875 6.265 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.774 7.015 6.758 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.415 6.193 8.873 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.404 4.841 8.356 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.734 4.169 10.316 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.375 5.806 10.039 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.440 4.529 10.673 1.00 0.00 H new ATOM 20 N THR A 2 -14.360 6.276 4.695 1.00 0.00 N ATOM 21 CA THR A 2 -14.926 7.135 3.617 1.00 0.00 C ATOM 22 C THR A 2 -15.093 8.564 4.139 1.00 0.00 C ATOM 23 O THR A 2 -16.160 8.958 4.567 1.00 0.00 O ATOM 24 CB THR A 2 -16.289 6.587 3.190 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.262 5.167 3.238 1.00 0.00 O ATOM 26 CG2 THR A 2 -16.605 7.046 1.766 1.00 0.00 C ATOM 0 H THR A 2 -15.046 5.873 5.333 1.00 0.00 H new ATOM 0 HA THR A 2 -14.250 7.136 2.762 1.00 0.00 H new ATOM 0 HB THR A 2 -17.058 6.960 3.866 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.135 4.814 2.966 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.576 6.654 1.465 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.626 8.135 1.731 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.838 6.676 1.086 1.00 0.00 H new ATOM 34 N PHE A 3 -14.048 9.344 4.106 1.00 0.00 N ATOM 35 CA PHE A 3 -14.149 10.746 4.600 1.00 0.00 C ATOM 36 C PHE A 3 -12.820 11.466 4.368 1.00 0.00 C ATOM 37 O PHE A 3 -12.393 12.275 5.168 1.00 0.00 O ATOM 38 CB PHE A 3 -14.469 10.738 6.097 1.00 0.00 C ATOM 39 CG PHE A 3 -15.262 11.974 6.449 1.00 0.00 C ATOM 40 CD1 PHE A 3 -16.621 12.050 6.122 1.00 0.00 C ATOM 41 CD2 PHE A 3 -14.639 13.043 7.102 1.00 0.00 C ATOM 42 CE1 PHE A 3 -17.356 13.196 6.448 1.00 0.00 C ATOM 43 CE2 PHE A 3 -15.374 14.189 7.429 1.00 0.00 C ATOM 44 CZ PHE A 3 -16.732 14.265 7.102 1.00 0.00 C ATOM 0 H PHE A 3 -13.129 9.071 3.758 1.00 0.00 H new ATOM 0 HA PHE A 3 -14.942 11.264 4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -15.037 9.844 6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -13.546 10.707 6.677 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -17.102 11.225 5.618 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -13.590 12.984 7.354 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -18.404 13.255 6.195 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -14.893 15.014 7.933 1.00 0.00 H new ATOM 0 HZ PHE A 3 -17.299 15.149 7.354 1.00 0.00 H new ATOM 54 N ILE A 4 -12.161 11.179 3.278 1.00 0.00 N ATOM 55 CA ILE A 4 -10.861 11.848 2.996 1.00 0.00 C ATOM 56 C ILE A 4 -10.960 12.622 1.681 1.00 0.00 C ATOM 57 O ILE A 4 -11.745 12.294 0.813 1.00 0.00 O ATOM 58 CB ILE A 4 -9.757 10.795 2.889 1.00 0.00 C ATOM 59 CG1 ILE A 4 -9.732 9.953 4.168 1.00 0.00 C ATOM 60 CG2 ILE A 4 -8.405 11.490 2.712 1.00 0.00 C ATOM 61 CD1 ILE A 4 -9.862 8.472 3.807 1.00 0.00 C ATOM 0 H ILE A 4 -12.467 10.510 2.571 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.625 12.539 3.806 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.950 10.151 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.803 10.126 4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.547 10.250 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.618 10.740 2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.422 12.092 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.211 12.133 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.844 7.873 4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -10.803 8.307 3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.032 8.180 3.164 1.00 0.00 H new ATOM 73 N THR A 5 -10.170 13.648 1.527 1.00 0.00 N ATOM 74 CA THR A 5 -10.218 14.447 0.271 1.00 0.00 C ATOM 75 C THR A 5 -9.707 13.600 -0.898 1.00 0.00 C ATOM 76 O THR A 5 -8.520 13.417 -1.072 1.00 0.00 O ATOM 77 CB THR A 5 -9.337 15.689 0.425 1.00 0.00 C ATOM 78 OG1 THR A 5 -8.110 15.322 1.040 1.00 0.00 O ATOM 79 CG2 THR A 5 -10.058 16.721 1.295 1.00 0.00 C ATOM 0 H THR A 5 -9.492 13.968 2.218 1.00 0.00 H new ATOM 0 HA THR A 5 -11.246 14.751 0.074 1.00 0.00 H new ATOM 0 HB THR A 5 -9.138 16.120 -0.556 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.782 14.488 0.643 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.431 17.606 1.405 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.000 17.000 0.823 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.257 16.293 2.277 1.00 0.00 H new ATOM 87 N LYS A 6 -10.598 13.084 -1.700 1.00 0.00 N ATOM 88 CA LYS A 6 -10.168 12.252 -2.860 1.00 0.00 C ATOM 89 C LYS A 6 -9.140 11.217 -2.398 1.00 0.00 C ATOM 90 O LYS A 6 -8.867 11.088 -1.223 1.00 0.00 O ATOM 91 CB LYS A 6 -9.544 13.152 -3.929 1.00 0.00 C ATOM 92 CG LYS A 6 -10.542 14.243 -4.324 1.00 0.00 C ATOM 93 CD LYS A 6 -9.868 15.235 -5.275 1.00 0.00 C ATOM 94 CE LYS A 6 -10.660 15.308 -6.582 1.00 0.00 C ATOM 95 NZ LYS A 6 -10.719 16.723 -7.049 1.00 0.00 N ATOM 0 H LYS A 6 -11.606 13.203 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.034 11.738 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.627 13.603 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.271 12.561 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.413 13.797 -4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.900 14.762 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.817 16.221 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.843 14.924 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.189 14.683 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.668 14.921 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.257 16.773 -7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.187 17.308 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.754 17.076 -7.208 1.00 0.00 H new ATOM 109 N THR A 7 -8.577 10.482 -3.325 1.00 0.00 N ATOM 110 CA THR A 7 -7.562 9.439 -2.977 1.00 0.00 C ATOM 111 C THR A 7 -8.124 8.478 -1.917 1.00 0.00 C ATOM 112 O THR A 7 -8.450 8.888 -0.821 1.00 0.00 O ATOM 113 CB THR A 7 -6.287 10.100 -2.437 1.00 0.00 C ATOM 114 OG1 THR A 7 -6.628 11.254 -1.685 1.00 0.00 O ATOM 115 CG2 THR A 7 -5.384 10.500 -3.604 1.00 0.00 C ATOM 0 H THR A 7 -8.780 10.561 -4.321 1.00 0.00 H new ATOM 0 HA THR A 7 -7.324 8.878 -3.881 1.00 0.00 H new ATOM 0 HB THR A 7 -5.760 9.394 -1.795 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.303 11.020 -1.014 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.479 10.969 -3.219 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.117 9.613 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.912 11.203 -4.248 1.00 0.00 H new ATOM 123 N PRO A 8 -8.207 7.218 -2.266 1.00 0.00 N ATOM 124 CA PRO A 8 -8.714 6.180 -1.350 1.00 0.00 C ATOM 125 C PRO A 8 -7.648 5.840 -0.304 1.00 0.00 C ATOM 126 O PRO A 8 -6.547 6.351 -0.359 1.00 0.00 O ATOM 127 CB PRO A 8 -8.995 4.990 -2.275 1.00 0.00 C ATOM 128 CG PRO A 8 -8.135 5.207 -3.539 1.00 0.00 C ATOM 129 CD PRO A 8 -7.803 6.709 -3.592 1.00 0.00 C ATOM 0 HA PRO A 8 -9.599 6.484 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.738 4.050 -1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.054 4.938 -2.530 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.224 4.610 -3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.676 4.898 -4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.742 6.876 -3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.348 7.209 -4.393 1.00 0.00 H new ATOM 137 N PRO A 9 -8.008 4.992 0.625 1.00 0.00 N ATOM 138 CA PRO A 9 -7.098 4.570 1.708 1.00 0.00 C ATOM 139 C PRO A 9 -6.019 3.619 1.180 1.00 0.00 C ATOM 140 O PRO A 9 -6.156 3.027 0.128 1.00 0.00 O ATOM 141 CB PRO A 9 -8.023 3.867 2.704 1.00 0.00 C ATOM 142 CG PRO A 9 -9.276 3.439 1.906 1.00 0.00 C ATOM 143 CD PRO A 9 -9.348 4.369 0.682 1.00 0.00 C ATOM 0 HA PRO A 9 -6.556 5.403 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.531 3.002 3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.293 4.535 3.522 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.203 2.396 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.175 3.529 2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.568 3.813 -0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.132 5.118 0.796 1.00 0.00 H new ATOM 151 N ALA A 10 -4.943 3.477 1.907 1.00 0.00 N ATOM 152 CA ALA A 10 -3.846 2.574 1.458 1.00 0.00 C ATOM 153 C ALA A 10 -4.211 1.121 1.768 1.00 0.00 C ATOM 154 O ALA A 10 -3.551 0.199 1.330 1.00 0.00 O ATOM 155 CB ALA A 10 -2.555 2.943 2.191 1.00 0.00 C ATOM 0 H ALA A 10 -4.777 3.950 2.795 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.703 2.686 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.750 2.284 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.292 3.976 1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.702 2.832 3.265 1.00 0.00 H new ATOM 161 N ALA A 11 -5.256 0.905 2.518 1.00 0.00 N ATOM 162 CA ALA A 11 -5.658 -0.492 2.849 1.00 0.00 C ATOM 163 C ALA A 11 -6.623 -1.007 1.779 1.00 0.00 C ATOM 164 O ALA A 11 -7.466 -1.841 2.039 1.00 0.00 O ATOM 165 CB ALA A 11 -6.349 -0.515 4.213 1.00 0.00 C ATOM 0 H ALA A 11 -5.849 1.634 2.916 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.774 -1.129 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.643 -1.536 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.663 -0.145 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.235 0.120 4.183 1.00 0.00 H new ATOM 171 N VAL A 12 -6.506 -0.511 0.578 1.00 0.00 N ATOM 172 CA VAL A 12 -7.413 -0.961 -0.511 1.00 0.00 C ATOM 173 C VAL A 12 -6.650 -0.955 -1.837 1.00 0.00 C ATOM 174 O VAL A 12 -6.783 -1.852 -2.647 1.00 0.00 O ATOM 175 CB VAL A 12 -8.604 -0.003 -0.589 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.104 1.435 -0.472 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.327 -0.177 -1.926 1.00 0.00 C ATOM 0 H VAL A 12 -5.817 0.190 0.305 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.771 -1.971 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.295 -0.223 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.950 2.120 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.593 1.566 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.412 1.647 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.173 0.508 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.638 0.039 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.685 -1.203 -2.015 1.00 0.00 H new ATOM 187 N LEU A 13 -5.844 0.048 -2.063 1.00 0.00 N ATOM 188 CA LEU A 13 -5.069 0.108 -3.334 1.00 0.00 C ATOM 189 C LEU A 13 -3.831 -0.779 -3.208 1.00 0.00 C ATOM 190 O LEU A 13 -3.481 -1.504 -4.117 1.00 0.00 O ATOM 191 CB LEU A 13 -4.632 1.550 -3.602 1.00 0.00 C ATOM 192 CG LEU A 13 -5.837 2.382 -4.040 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.358 3.755 -4.519 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.561 1.666 -5.183 1.00 0.00 C ATOM 0 H LEU A 13 -5.690 0.827 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.692 -0.240 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.190 1.979 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.864 1.569 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.520 2.507 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.215 4.351 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.840 4.264 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.677 3.629 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.421 2.258 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.879 1.542 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.899 0.687 -4.843 1.00 0.00 H new ATOM 206 N LEU A 14 -3.169 -0.733 -2.085 1.00 0.00 N ATOM 207 CA LEU A 14 -1.958 -1.581 -1.905 1.00 0.00 C ATOM 208 C LEU A 14 -2.314 -3.024 -2.262 1.00 0.00 C ATOM 209 O LEU A 14 -1.684 -3.643 -3.096 1.00 0.00 O ATOM 210 CB LEU A 14 -1.494 -1.512 -0.448 1.00 0.00 C ATOM 211 CG LEU A 14 -1.174 -0.061 -0.084 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.593 0.000 1.329 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.153 0.499 -1.074 1.00 0.00 C ATOM 0 H LEU A 14 -3.413 -0.147 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.155 -1.225 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.270 -1.901 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.612 -2.137 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.089 0.530 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.366 1.035 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.318 -0.399 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.321 -0.593 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.075 1.533 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.759 -0.096 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.565 0.460 -2.082 1.00 0.00 H new ATOM 225 N LYS A 15 -3.327 -3.559 -1.639 1.00 0.00 N ATOM 226 CA LYS A 15 -3.736 -4.958 -1.942 1.00 0.00 C ATOM 227 C LYS A 15 -4.000 -5.100 -3.442 1.00 0.00 C ATOM 228 O LYS A 15 -3.665 -6.098 -4.049 1.00 0.00 O ATOM 229 CB LYS A 15 -5.016 -5.291 -1.172 1.00 0.00 C ATOM 230 CG LYS A 15 -4.655 -5.828 0.212 1.00 0.00 C ATOM 231 CD LYS A 15 -5.768 -6.756 0.704 1.00 0.00 C ATOM 232 CE LYS A 15 -6.391 -6.179 1.976 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.546 -5.309 1.612 1.00 0.00 N ATOM 0 H LYS A 15 -3.890 -3.086 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.940 -5.640 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.638 -4.401 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.600 -6.031 -1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.709 -6.368 0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.520 -5.002 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.530 -6.868 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.366 -7.750 0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.721 -6.986 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.648 -5.604 2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.971 -4.916 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.217 -4.532 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.257 -5.871 1.102 1.00 0.00 H new ATOM 247 N LYS A 16 -4.606 -4.113 -4.046 1.00 0.00 N ATOM 248 CA LYS A 16 -4.897 -4.197 -5.506 1.00 0.00 C ATOM 249 C LYS A 16 -3.595 -4.400 -6.284 1.00 0.00 C ATOM 250 O LYS A 16 -3.542 -5.152 -7.236 1.00 0.00 O ATOM 251 CB LYS A 16 -5.568 -2.903 -5.973 1.00 0.00 C ATOM 252 CG LYS A 16 -5.853 -2.994 -7.474 1.00 0.00 C ATOM 253 CD LYS A 16 -6.728 -1.814 -7.905 1.00 0.00 C ATOM 254 CE LYS A 16 -7.514 -2.193 -9.161 1.00 0.00 C ATOM 255 NZ LYS A 16 -6.680 -1.928 -10.367 1.00 0.00 N ATOM 0 H LYS A 16 -4.912 -3.253 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.563 -5.040 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.496 -2.742 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.923 -2.050 -5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.917 -2.988 -8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.355 -3.934 -7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.414 -1.544 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.107 -0.940 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.795 -3.246 -9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.439 -1.618 -9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.214 -2.185 -11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.434 -0.918 -10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.810 -2.495 -10.319 1.00 0.00 H new ATOM 269 N ALA A 17 -2.548 -3.731 -5.889 1.00 0.00 N ATOM 270 CA ALA A 17 -1.253 -3.880 -6.610 1.00 0.00 C ATOM 271 C ALA A 17 -0.871 -5.361 -6.688 1.00 0.00 C ATOM 272 O ALA A 17 -0.294 -5.811 -7.658 1.00 0.00 O ATOM 273 CB ALA A 17 -0.165 -3.112 -5.858 1.00 0.00 C ATOM 0 H ALA A 17 -2.533 -3.087 -5.098 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.353 -3.482 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.784 -3.219 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.434 -2.057 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.069 -3.512 -4.849 1.00 0.00 H new ATOM 279 N ALA A 18 -1.186 -6.122 -5.676 1.00 0.00 N ATOM 280 CA ALA A 18 -0.837 -7.570 -5.696 1.00 0.00 C ATOM 281 C ALA A 18 -1.880 -8.340 -6.509 1.00 0.00 C ATOM 282 O ALA A 18 -1.560 -9.013 -7.469 1.00 0.00 O ATOM 283 CB ALA A 18 -0.810 -8.107 -4.265 1.00 0.00 C ATOM 0 H ALA A 18 -1.670 -5.803 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 18 0.144 -7.698 -6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.555 -9.167 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.065 -7.562 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.791 -7.976 -3.809 1.00 0.00 H new ATOM 289 N GLY A 19 -3.125 -8.249 -6.131 1.00 0.00 N ATOM 290 CA GLY A 19 -4.188 -8.978 -6.879 1.00 0.00 C ATOM 291 C GLY A 19 -4.801 -10.050 -5.977 1.00 0.00 C ATOM 292 O GLY A 19 -5.141 -11.130 -6.420 1.00 0.00 O ATOM 0 H GLY A 19 -3.453 -7.701 -5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.958 -8.281 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.768 -9.437 -7.774 1.00 0.00 H new ATOM 296 N ILE A 20 -4.942 -9.764 -4.712 1.00 0.00 N ATOM 297 CA ILE A 20 -5.529 -10.767 -3.781 1.00 0.00 C ATOM 298 C ILE A 20 -7.052 -10.616 -3.759 1.00 0.00 C ATOM 299 O ILE A 20 -7.593 -9.781 -3.064 1.00 0.00 O ATOM 300 CB ILE A 20 -4.977 -10.544 -2.372 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.448 -10.579 -2.414 1.00 0.00 C ATOM 302 CG2 ILE A 20 -5.487 -11.648 -1.444 1.00 0.00 C ATOM 303 CD1 ILE A 20 -2.900 -9.156 -2.287 1.00 0.00 C ATOM 0 H ILE A 20 -4.676 -8.878 -4.283 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.267 -11.769 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.309 -9.575 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.066 -11.201 -1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.110 -11.028 -3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.094 -11.490 -0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.576 -11.625 -1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.155 -12.618 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.811 -9.182 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.272 -8.548 -3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.227 -8.723 -1.341 1.00 0.00 H new ATOM 315 N GLU A 21 -7.747 -11.420 -4.515 1.00 0.00 N ATOM 316 CA GLU A 21 -9.233 -11.325 -4.538 1.00 0.00 C ATOM 317 C GLU A 21 -9.829 -12.535 -3.817 1.00 0.00 C ATOM 318 O GLU A 21 -10.512 -13.347 -4.409 1.00 0.00 O ATOM 319 CB GLU A 21 -9.719 -11.305 -5.988 1.00 0.00 C ATOM 320 CG GLU A 21 -9.721 -9.867 -6.508 1.00 0.00 C ATOM 321 CD GLU A 21 -10.925 -9.660 -7.427 1.00 0.00 C ATOM 322 OE1 GLU A 21 -11.173 -10.526 -8.249 1.00 0.00 O ATOM 323 OE2 GLU A 21 -11.580 -8.638 -7.294 1.00 0.00 O ATOM 0 H GLU A 21 -7.349 -12.140 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.549 -10.410 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.072 -11.926 -6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.722 -11.727 -6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.762 -9.167 -5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.797 -9.663 -7.049 1.00 0.00 H new ATOM 330 N SER A 22 -9.576 -12.664 -2.544 1.00 0.00 N ATOM 331 CA SER A 22 -10.126 -13.825 -1.791 1.00 0.00 C ATOM 332 C SER A 22 -9.633 -15.124 -2.433 1.00 0.00 C ATOM 333 O SER A 22 -8.572 -15.621 -2.111 1.00 0.00 O ATOM 334 CB SER A 22 -11.654 -13.781 -1.830 1.00 0.00 C ATOM 335 OG SER A 22 -12.169 -15.081 -1.577 1.00 0.00 O ATOM 0 H SER A 22 -9.013 -12.016 -1.993 1.00 0.00 H new ATOM 0 HA SER A 22 -9.791 -13.781 -0.755 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.028 -13.078 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.994 -13.426 -2.803 1.00 0.00 H new ATOM 0 HG SER A 22 -13.148 -15.055 -1.600 1.00 0.00 H new ATOM 341 N GLY A 23 -10.392 -15.677 -3.340 1.00 0.00 N ATOM 342 CA GLY A 23 -9.961 -16.942 -4.000 1.00 0.00 C ATOM 343 C GLY A 23 -10.497 -18.141 -3.216 1.00 0.00 C ATOM 344 O GLY A 23 -10.819 -18.037 -2.049 1.00 0.00 O ATOM 0 H GLY A 23 -11.290 -15.308 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.329 -16.972 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.873 -16.985 -4.050 1.00 0.00 H new ATOM 348 N SER A 24 -10.599 -19.278 -3.848 1.00 0.00 N ATOM 349 CA SER A 24 -11.116 -20.480 -3.137 1.00 0.00 C ATOM 350 C SER A 24 -11.205 -21.654 -4.114 1.00 0.00 C ATOM 351 O SER A 24 -10.785 -21.562 -5.251 1.00 0.00 O ATOM 352 CB SER A 24 -12.504 -20.180 -2.573 1.00 0.00 C ATOM 353 OG SER A 24 -13.370 -19.802 -3.635 1.00 0.00 O ATOM 0 H SER A 24 -10.347 -19.426 -4.825 1.00 0.00 H new ATOM 0 HA SER A 24 -10.440 -20.738 -2.322 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.899 -21.058 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.444 -19.380 -1.835 1.00 0.00 H new ATOM 0 HG SER A 24 -14.262 -19.610 -3.277 1.00 0.00 H new ATOM 359 N GLY A 25 -11.750 -22.757 -3.680 1.00 0.00 N ATOM 360 CA GLY A 25 -11.869 -23.938 -4.584 1.00 0.00 C ATOM 361 C GLY A 25 -10.517 -24.646 -4.680 1.00 0.00 C ATOM 362 O GLY A 25 -10.176 -25.218 -5.697 1.00 0.00 O ATOM 0 H GLY A 25 -12.118 -22.893 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.625 -24.625 -4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.196 -23.620 -5.574 1.00 0.00 H new ATOM 366 N GLU A 26 -9.743 -24.616 -3.630 1.00 0.00 N ATOM 367 CA GLU A 26 -8.414 -25.291 -3.665 1.00 0.00 C ATOM 368 C GLU A 26 -7.551 -24.664 -4.764 1.00 0.00 C ATOM 369 O GLU A 26 -7.480 -25.180 -5.862 1.00 0.00 O ATOM 370 CB GLU A 26 -8.607 -26.781 -3.955 1.00 0.00 C ATOM 371 CG GLU A 26 -9.149 -27.480 -2.707 1.00 0.00 C ATOM 372 CD GLU A 26 -10.119 -28.588 -3.121 1.00 0.00 C ATOM 373 OE1 GLU A 26 -11.117 -28.271 -3.747 1.00 0.00 O ATOM 374 OE2 GLU A 26 -9.847 -29.734 -2.805 1.00 0.00 O ATOM 0 H GLU A 26 -9.973 -24.154 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.919 -25.169 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.298 -26.913 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.659 -27.230 -4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.327 -27.900 -2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.656 -26.759 -2.065 1.00 0.00 H new ATOM 381 N PRO A 27 -6.920 -23.566 -4.432 1.00 0.00 N ATOM 382 CA PRO A 27 -6.048 -22.837 -5.369 1.00 0.00 C ATOM 383 C PRO A 27 -4.687 -23.532 -5.481 1.00 0.00 C ATOM 384 O PRO A 27 -3.696 -23.067 -4.953 1.00 0.00 O ATOM 385 CB PRO A 27 -5.907 -21.454 -4.725 1.00 0.00 C ATOM 386 CG PRO A 27 -6.216 -21.640 -3.220 1.00 0.00 C ATOM 387 CD PRO A 27 -7.016 -22.952 -3.093 1.00 0.00 C ATOM 0 HA PRO A 27 -6.448 -22.790 -6.382 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.901 -21.059 -4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.597 -20.742 -5.178 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.295 -21.690 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.790 -20.797 -2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.596 -23.602 -2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.053 -22.761 -2.816 1.00 0.00 H new ATOM 395 N ASN A 28 -4.634 -24.643 -6.164 1.00 0.00 N ATOM 396 CA ASN A 28 -3.342 -25.370 -6.312 1.00 0.00 C ATOM 397 C ASN A 28 -2.671 -25.511 -4.944 1.00 0.00 C ATOM 398 O ASN A 28 -2.923 -26.448 -4.213 1.00 0.00 O ATOM 399 CB ASN A 28 -2.422 -24.592 -7.255 1.00 0.00 C ATOM 400 CG ASN A 28 -1.028 -25.222 -7.241 1.00 0.00 C ATOM 401 OD1 ASN A 28 -0.849 -26.317 -6.746 1.00 0.00 O ATOM 402 ND2 ASN A 28 -0.026 -24.572 -7.765 1.00 0.00 N ATOM 0 H ASN A 28 -5.432 -25.079 -6.627 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.531 -26.361 -6.725 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.827 -24.602 -8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.364 -23.548 -6.945 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.908 -24.983 -7.759 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.176 -23.653 -8.181 1.00 0.00 H new ATOM 409 N ARG A 29 -1.816 -24.589 -4.591 1.00 0.00 N ATOM 410 CA ARG A 29 -1.131 -24.676 -3.271 1.00 0.00 C ATOM 411 C ARG A 29 -1.203 -23.321 -2.567 1.00 0.00 C ATOM 412 O ARG A 29 -1.370 -22.292 -3.193 1.00 0.00 O ATOM 413 CB ARG A 29 0.335 -25.062 -3.483 1.00 0.00 C ATOM 414 CG ARG A 29 0.507 -26.566 -3.259 1.00 0.00 C ATOM 415 CD ARG A 29 1.024 -26.815 -1.841 1.00 0.00 C ATOM 416 NE ARG A 29 2.387 -27.412 -1.906 1.00 0.00 N ATOM 417 CZ ARG A 29 3.409 -26.761 -1.420 1.00 0.00 C ATOM 418 NH1 ARG A 29 3.764 -25.621 -1.944 1.00 0.00 N ATOM 419 NH2 ARG A 29 4.075 -27.251 -0.410 1.00 0.00 N ATOM 0 H ARG A 29 -1.563 -23.781 -5.159 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.622 -25.431 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.649 -24.796 -4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.971 -24.506 -2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.444 -27.077 -3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.205 -26.976 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.052 -25.879 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.348 -27.484 -1.308 1.00 0.00 H new ATOM 0 HE ARG A 29 2.522 -28.330 -2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.243 -25.238 -2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.562 -25.112 -1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.797 -28.143 -0.000 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.873 -26.742 -0.031 1.00 0.00 H new ATOM 433 N ASN A 30 -1.076 -23.309 -1.268 1.00 0.00 N ATOM 434 CA ASN A 30 -1.134 -22.020 -0.523 1.00 0.00 C ATOM 435 C ASN A 30 -0.004 -21.106 -1.003 1.00 0.00 C ATOM 436 O ASN A 30 1.149 -21.491 -1.030 1.00 0.00 O ATOM 437 CB ASN A 30 -0.973 -22.289 0.975 1.00 0.00 C ATOM 438 CG ASN A 30 0.091 -23.367 1.187 1.00 0.00 C ATOM 439 OD1 ASN A 30 1.144 -23.327 0.581 1.00 0.00 O ATOM 440 ND2 ASN A 30 -0.141 -24.336 2.029 1.00 0.00 N ATOM 0 H ASN A 30 -0.934 -24.138 -0.690 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.094 -21.537 -0.703 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.686 -21.373 1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.923 -22.611 1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.561 -25.060 2.179 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.025 -24.369 2.537 1.00 0.00 H new ATOM 447 N LYS A 31 -0.324 -19.900 -1.385 1.00 0.00 N ATOM 448 CA LYS A 31 0.734 -18.967 -1.866 1.00 0.00 C ATOM 449 C LYS A 31 0.641 -17.645 -1.100 1.00 0.00 C ATOM 450 O LYS A 31 -0.424 -17.080 -0.945 1.00 0.00 O ATOM 451 CB LYS A 31 0.538 -18.703 -3.360 1.00 0.00 C ATOM 452 CG LYS A 31 0.686 -20.013 -4.133 1.00 0.00 C ATOM 453 CD LYS A 31 2.088 -20.584 -3.908 1.00 0.00 C ATOM 454 CE LYS A 31 2.299 -21.789 -4.826 1.00 0.00 C ATOM 455 NZ LYS A 31 3.147 -21.389 -5.983 1.00 0.00 N ATOM 0 H LYS A 31 -1.271 -19.521 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 31 1.714 -19.414 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.448 -18.273 -3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.271 -17.977 -3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.067 -20.729 -3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.518 -19.841 -5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.840 -19.822 -4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.209 -20.881 -2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.775 -22.600 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.338 -22.164 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.291 -22.208 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.675 -20.628 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.068 -21.051 -5.638 1.00 0.00 H new ATOM 469 N VAL A 32 1.748 -17.147 -0.625 1.00 0.00 N ATOM 470 CA VAL A 32 1.723 -15.860 0.127 1.00 0.00 C ATOM 471 C VAL A 32 1.653 -14.698 -0.865 1.00 0.00 C ATOM 472 O VAL A 32 2.223 -14.749 -1.937 1.00 0.00 O ATOM 473 CB VAL A 32 2.994 -15.737 0.970 1.00 0.00 C ATOM 474 CG1 VAL A 32 4.193 -15.492 0.052 1.00 0.00 C ATOM 475 CG2 VAL A 32 2.848 -14.564 1.941 1.00 0.00 C ATOM 0 H VAL A 32 2.669 -17.574 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 32 0.852 -15.835 0.781 1.00 0.00 H new ATOM 0 HB VAL A 32 3.149 -16.658 1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.099 -15.404 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.297 -16.326 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.039 -14.570 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.753 -14.475 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.694 -13.643 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.993 -14.737 2.595 1.00 0.00 H new ATOM 485 N ALA A 33 0.957 -13.650 -0.518 1.00 0.00 N ATOM 486 CA ALA A 33 0.849 -12.488 -1.443 1.00 0.00 C ATOM 487 C ALA A 33 2.136 -11.664 -1.383 1.00 0.00 C ATOM 488 O ALA A 33 2.671 -11.405 -0.324 1.00 0.00 O ATOM 489 CB ALA A 33 -0.335 -11.614 -1.026 1.00 0.00 C ATOM 0 H ALA A 33 0.459 -13.549 0.366 1.00 0.00 H new ATOM 0 HA ALA A 33 0.696 -12.848 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.415 -10.763 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.253 -12.200 -1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.182 -11.255 -0.008 1.00 0.00 H new ATOM 495 N THR A 34 2.638 -11.247 -2.514 1.00 0.00 N ATOM 496 CA THR A 34 3.888 -10.438 -2.519 1.00 0.00 C ATOM 497 C THR A 34 3.649 -9.133 -3.278 1.00 0.00 C ATOM 498 O THR A 34 2.881 -9.082 -4.218 1.00 0.00 O ATOM 499 CB THR A 34 5.009 -11.225 -3.201 1.00 0.00 C ATOM 500 OG1 THR A 34 4.443 -12.189 -4.077 1.00 0.00 O ATOM 501 CG2 THR A 34 5.856 -11.928 -2.142 1.00 0.00 C ATOM 0 H THR A 34 2.236 -11.432 -3.433 1.00 0.00 H new ATOM 0 HA THR A 34 4.176 -10.215 -1.492 1.00 0.00 H new ATOM 0 HB THR A 34 5.639 -10.543 -3.772 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.160 -12.693 -4.516 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.655 -12.489 -2.628 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.290 -11.186 -1.472 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.229 -12.612 -1.570 1.00 0.00 H new ATOM 509 N ILE A 35 4.305 -8.077 -2.882 1.00 0.00 N ATOM 510 CA ILE A 35 4.116 -6.778 -3.585 1.00 0.00 C ATOM 511 C ILE A 35 5.482 -6.189 -3.938 1.00 0.00 C ATOM 512 O ILE A 35 6.303 -5.939 -3.079 1.00 0.00 O ATOM 513 CB ILE A 35 3.357 -5.808 -2.673 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.877 -6.195 -2.644 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.493 -4.378 -3.206 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.264 -5.959 -4.024 1.00 0.00 C ATOM 0 H ILE A 35 4.963 -8.058 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 35 3.543 -6.937 -4.498 1.00 0.00 H new ATOM 0 HB ILE A 35 3.774 -5.860 -1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.769 -7.242 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.350 -5.605 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.951 -3.693 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.546 -4.098 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.078 -4.324 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.209 -6.234 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.360 -4.906 -4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.785 -6.568 -4.763 1.00 0.00 H new ATOM 528 N LYS A 36 5.729 -5.959 -5.197 1.00 0.00 N ATOM 529 CA LYS A 36 7.038 -5.380 -5.604 1.00 0.00 C ATOM 530 C LYS A 36 7.174 -3.981 -4.999 1.00 0.00 C ATOM 531 O LYS A 36 6.203 -3.272 -4.835 1.00 0.00 O ATOM 532 CB LYS A 36 7.098 -5.281 -7.130 1.00 0.00 C ATOM 533 CG LYS A 36 7.882 -6.468 -7.692 1.00 0.00 C ATOM 534 CD LYS A 36 7.487 -6.695 -9.153 1.00 0.00 C ATOM 535 CE LYS A 36 8.272 -7.881 -9.716 1.00 0.00 C ATOM 536 NZ LYS A 36 7.334 -8.998 -10.019 1.00 0.00 N ATOM 0 H LYS A 36 5.081 -6.147 -5.962 1.00 0.00 H new ATOM 0 HA LYS A 36 7.849 -6.016 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.090 -5.270 -7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.574 -4.346 -7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.953 -6.278 -7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.677 -7.363 -7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.416 -6.887 -9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.691 -5.799 -9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.804 -7.583 -10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.023 -8.208 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.867 -9.805 -10.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.846 -9.288 -9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.633 -8.682 -10.720 1.00 0.00 H new ATOM 550 N ARG A 37 8.369 -3.575 -4.671 1.00 0.00 N ATOM 551 CA ARG A 37 8.557 -2.221 -4.088 1.00 0.00 C ATOM 552 C ARG A 37 8.442 -1.188 -5.202 1.00 0.00 C ATOM 553 O ARG A 37 8.038 -0.062 -4.987 1.00 0.00 O ATOM 554 CB ARG A 37 9.945 -2.128 -3.456 1.00 0.00 C ATOM 555 CG ARG A 37 9.860 -1.344 -2.146 1.00 0.00 C ATOM 556 CD ARG A 37 9.198 -2.209 -1.073 1.00 0.00 C ATOM 557 NE ARG A 37 9.815 -1.915 0.251 1.00 0.00 N ATOM 558 CZ ARG A 37 11.095 -2.097 0.432 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.809 -2.692 -0.484 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.662 -1.682 1.532 1.00 0.00 N ATOM 0 H ARG A 37 9.222 -4.123 -4.782 1.00 0.00 H new ATOM 0 HA ARG A 37 7.799 -2.036 -3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.338 -3.127 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.636 -1.637 -4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.858 -1.046 -1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.287 -0.429 -2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.127 -2.010 -1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.318 -3.265 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 37 9.236 -1.571 1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.367 -3.016 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.809 -2.833 -0.340 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.105 -1.216 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.662 -1.823 1.675 1.00 0.00 H new ATOM 574 N ASP A 38 8.800 -1.567 -6.395 1.00 0.00 N ATOM 575 CA ASP A 38 8.719 -0.617 -7.534 1.00 0.00 C ATOM 576 C ASP A 38 7.250 -0.327 -7.857 1.00 0.00 C ATOM 577 O ASP A 38 6.926 0.658 -8.489 1.00 0.00 O ATOM 578 CB ASP A 38 9.399 -1.232 -8.759 1.00 0.00 C ATOM 579 CG ASP A 38 8.825 -2.627 -9.015 1.00 0.00 C ATOM 580 OD1 ASP A 38 7.662 -2.711 -9.375 1.00 0.00 O ATOM 581 OD2 ASP A 38 9.557 -3.588 -8.846 1.00 0.00 O ATOM 0 H ASP A 38 9.146 -2.497 -6.630 1.00 0.00 H new ATOM 0 HA ASP A 38 9.221 0.313 -7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.243 -0.597 -9.631 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.475 -1.294 -8.598 1.00 0.00 H new ATOM 586 N LYS A 39 6.361 -1.181 -7.430 1.00 0.00 N ATOM 587 CA LYS A 39 4.914 -0.957 -7.714 1.00 0.00 C ATOM 588 C LYS A 39 4.252 -0.281 -6.514 1.00 0.00 C ATOM 589 O LYS A 39 3.504 0.666 -6.657 1.00 0.00 O ATOM 590 CB LYS A 39 4.235 -2.303 -7.975 1.00 0.00 C ATOM 591 CG LYS A 39 3.719 -2.344 -9.414 1.00 0.00 C ATOM 592 CD LYS A 39 2.284 -1.815 -9.456 1.00 0.00 C ATOM 593 CE LYS A 39 1.472 -2.623 -10.471 1.00 0.00 C ATOM 594 NZ LYS A 39 2.280 -2.829 -11.705 1.00 0.00 N ATOM 0 H LYS A 39 6.573 -2.024 -6.897 1.00 0.00 H new ATOM 0 HA LYS A 39 4.813 -0.317 -8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.941 -3.117 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.410 -2.447 -7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.359 -1.742 -10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.753 -3.365 -9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.829 -1.889 -8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.282 -0.760 -9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.190 -3.585 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.547 -2.099 -10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.645 -2.946 -12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.894 -2.004 -11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.866 -3.681 -11.598 1.00 0.00 H new ATOM 608 N VAL A 40 4.516 -0.763 -5.332 1.00 0.00 N ATOM 609 CA VAL A 40 3.898 -0.156 -4.123 1.00 0.00 C ATOM 610 C VAL A 40 4.345 1.308 -4.002 1.00 0.00 C ATOM 611 O VAL A 40 3.559 2.184 -3.697 1.00 0.00 O ATOM 612 CB VAL A 40 4.314 -0.972 -2.883 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.464 -0.289 -2.130 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.111 -1.114 -1.948 1.00 0.00 C ATOM 0 H VAL A 40 5.135 -1.553 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 40 2.811 -0.174 -4.201 1.00 0.00 H new ATOM 0 HB VAL A 40 4.655 -1.953 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.736 -0.887 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.326 -0.196 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.148 0.702 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.399 -1.690 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.772 -0.125 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.303 -1.628 -2.470 1.00 0.00 H new ATOM 624 N ARG A 41 5.599 1.578 -4.242 1.00 0.00 N ATOM 625 CA ARG A 41 6.093 2.981 -4.144 1.00 0.00 C ATOM 626 C ARG A 41 5.333 3.857 -5.142 1.00 0.00 C ATOM 627 O ARG A 41 5.239 5.058 -4.985 1.00 0.00 O ATOM 628 CB ARG A 41 7.588 3.020 -4.465 1.00 0.00 C ATOM 629 CG ARG A 41 8.096 4.460 -4.373 1.00 0.00 C ATOM 630 CD ARG A 41 8.986 4.768 -5.579 1.00 0.00 C ATOM 631 NE ARG A 41 10.419 4.685 -5.175 1.00 0.00 N ATOM 632 CZ ARG A 41 11.332 4.397 -6.062 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.286 4.943 -7.247 1.00 0.00 N ATOM 634 NH2 ARG A 41 12.290 3.563 -5.766 1.00 0.00 N ATOM 0 H ARG A 41 6.303 0.887 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 41 5.930 3.355 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.136 2.385 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.766 2.624 -5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.254 5.152 -4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.657 4.600 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.783 4.062 -6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.763 5.763 -5.964 1.00 0.00 H new ATOM 0 HE ARG A 41 10.686 4.853 -4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.537 5.595 -7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.000 4.718 -7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.326 3.135 -4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.003 3.338 -6.460 1.00 0.00 H new ATOM 648 N GLU A 42 4.787 3.263 -6.168 1.00 0.00 N ATOM 649 CA GLU A 42 4.031 4.059 -7.176 1.00 0.00 C ATOM 650 C GLU A 42 2.649 4.399 -6.616 1.00 0.00 C ATOM 651 O GLU A 42 2.234 5.541 -6.610 1.00 0.00 O ATOM 652 CB GLU A 42 3.875 3.241 -8.459 1.00 0.00 C ATOM 653 CG GLU A 42 5.229 3.136 -9.166 1.00 0.00 C ATOM 654 CD GLU A 42 5.135 3.784 -10.549 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.803 3.081 -11.489 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.394 4.972 -10.643 1.00 0.00 O ATOM 0 H GLU A 42 4.832 2.261 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 42 4.572 4.979 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.497 2.246 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.145 3.712 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.000 3.629 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.521 2.090 -9.262 1.00 0.00 H new ATOM 663 N ILE A 43 1.933 3.416 -6.143 1.00 0.00 N ATOM 664 CA ILE A 43 0.580 3.684 -5.581 1.00 0.00 C ATOM 665 C ILE A 43 0.675 4.816 -4.558 1.00 0.00 C ATOM 666 O ILE A 43 -0.005 5.819 -4.659 1.00 0.00 O ATOM 667 CB ILE A 43 0.052 2.421 -4.898 1.00 0.00 C ATOM 668 CG1 ILE A 43 0.003 1.276 -5.914 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.354 2.683 -4.355 1.00 0.00 C ATOM 670 CD1 ILE A 43 0.023 -0.064 -5.175 1.00 0.00 C ATOM 0 H ILE A 43 2.227 2.439 -6.122 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.100 3.972 -6.383 1.00 0.00 H new ATOM 0 HB ILE A 43 0.713 2.149 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.898 1.354 -6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.853 1.342 -6.593 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.730 1.783 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.319 3.498 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.017 2.955 -5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.012 -0.879 -5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.937 -0.141 -4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.842 -0.128 -4.514 1.00 0.00 H new ATOM 682 N ALA A 44 1.518 4.667 -3.572 1.00 0.00 N ATOM 683 CA ALA A 44 1.660 5.737 -2.547 1.00 0.00 C ATOM 684 C ALA A 44 1.977 7.061 -3.244 1.00 0.00 C ATOM 685 O ALA A 44 1.389 8.083 -2.953 1.00 0.00 O ATOM 686 CB ALA A 44 2.796 5.377 -1.588 1.00 0.00 C ATOM 0 H ALA A 44 2.114 3.851 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 44 0.731 5.833 -1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.900 6.160 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.571 4.431 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.727 5.283 -2.146 1.00 0.00 H new ATOM 692 N GLU A 45 2.898 7.049 -4.168 1.00 0.00 N ATOM 693 CA GLU A 45 3.247 8.304 -4.888 1.00 0.00 C ATOM 694 C GLU A 45 1.963 8.976 -5.378 1.00 0.00 C ATOM 695 O GLU A 45 1.816 10.180 -5.312 1.00 0.00 O ATOM 696 CB GLU A 45 4.138 7.974 -6.088 1.00 0.00 C ATOM 697 CG GLU A 45 5.590 8.320 -5.759 1.00 0.00 C ATOM 698 CD GLU A 45 6.125 9.318 -6.789 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.493 8.886 -7.868 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.157 10.498 -6.480 1.00 0.00 O ATOM 0 H GLU A 45 3.424 6.223 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 45 3.780 8.976 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.053 6.916 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.809 8.535 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.655 8.745 -4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.200 7.416 -5.762 1.00 0.00 H new ATOM 707 N LEU A 46 1.030 8.205 -5.867 1.00 0.00 N ATOM 708 CA LEU A 46 -0.246 8.795 -6.358 1.00 0.00 C ATOM 709 C LEU A 46 -0.967 9.477 -5.197 1.00 0.00 C ATOM 710 O LEU A 46 -1.481 10.571 -5.326 1.00 0.00 O ATOM 711 CB LEU A 46 -1.133 7.687 -6.931 1.00 0.00 C ATOM 712 CG LEU A 46 -1.539 8.046 -8.360 1.00 0.00 C ATOM 713 CD1 LEU A 46 -2.310 6.881 -8.981 1.00 0.00 C ATOM 714 CD2 LEU A 46 -2.430 9.291 -8.337 1.00 0.00 C ATOM 0 H LEU A 46 1.097 7.190 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.034 9.528 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.598 6.737 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.020 7.560 -6.311 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.646 8.246 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.599 7.138 -10.000 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.678 5.993 -8.996 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.204 6.680 -8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.721 9.549 -9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.322 9.089 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.882 10.123 -7.894 1.00 0.00 H new ATOM 726 N LYS A 47 -1.007 8.841 -4.058 1.00 0.00 N ATOM 727 CA LYS A 47 -1.690 9.454 -2.885 1.00 0.00 C ATOM 728 C LYS A 47 -0.641 10.046 -1.941 1.00 0.00 C ATOM 729 O LYS A 47 -0.873 10.212 -0.761 1.00 0.00 O ATOM 730 CB LYS A 47 -2.496 8.381 -2.150 1.00 0.00 C ATOM 731 CG LYS A 47 -3.342 7.597 -3.157 1.00 0.00 C ATOM 732 CD LYS A 47 -3.008 6.108 -3.055 1.00 0.00 C ATOM 733 CE LYS A 47 -3.618 5.535 -1.775 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.701 4.509 -1.204 1.00 0.00 N ATOM 0 H LYS A 47 -0.596 7.923 -3.890 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.361 10.244 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.824 7.706 -1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.139 8.843 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.402 7.757 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.148 7.956 -4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.396 5.577 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.927 5.966 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.785 6.332 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.590 5.090 -1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.756 4.533 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.980 3.566 -1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.726 4.710 -1.503 1.00 0.00 H new ATOM 748 N MET A 48 0.516 10.364 -2.458 1.00 0.00 N ATOM 749 CA MET A 48 1.591 10.944 -1.601 1.00 0.00 C ATOM 750 C MET A 48 1.062 12.154 -0.821 1.00 0.00 C ATOM 751 O MET A 48 1.273 12.251 0.372 1.00 0.00 O ATOM 752 CB MET A 48 2.765 11.381 -2.480 1.00 0.00 C ATOM 753 CG MET A 48 4.079 11.100 -1.750 1.00 0.00 C ATOM 754 SD MET A 48 5.429 11.976 -2.580 1.00 0.00 S ATOM 755 CE MET A 48 5.277 13.537 -1.678 1.00 0.00 C ATOM 0 H MET A 48 0.764 10.247 -3.440 1.00 0.00 H new ATOM 0 HA MET A 48 1.921 10.185 -0.892 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.742 10.846 -3.429 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.685 12.443 -2.711 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.006 11.422 -0.711 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.279 10.029 -1.738 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.030 14.239 -2.037 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.284 13.956 -1.840 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.426 13.358 -0.613 1.00 0.00 H new ATOM 765 N PRO A 49 0.397 13.049 -1.512 1.00 0.00 N ATOM 766 CA PRO A 49 -0.160 14.270 -0.898 1.00 0.00 C ATOM 767 C PRO A 49 -1.480 13.977 -0.168 1.00 0.00 C ATOM 768 O PRO A 49 -2.329 14.838 -0.046 1.00 0.00 O ATOM 769 CB PRO A 49 -0.396 15.194 -2.094 1.00 0.00 C ATOM 770 CG PRO A 49 -0.507 14.281 -3.339 1.00 0.00 C ATOM 771 CD PRO A 49 0.143 12.935 -2.963 1.00 0.00 C ATOM 0 HA PRO A 49 0.501 14.701 -0.146 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.306 15.778 -1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.425 15.903 -2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.550 14.141 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.001 14.729 -4.194 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.517 12.097 -3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.067 12.770 -3.517 1.00 0.00 H new ATOM 779 N ASP A 50 -1.658 12.781 0.325 1.00 0.00 N ATOM 780 CA ASP A 50 -2.917 12.454 1.049 1.00 0.00 C ATOM 781 C ASP A 50 -2.588 11.566 2.249 1.00 0.00 C ATOM 782 O ASP A 50 -3.458 10.975 2.856 1.00 0.00 O ATOM 783 CB ASP A 50 -3.873 11.715 0.112 1.00 0.00 C ATOM 784 CG ASP A 50 -4.915 12.695 -0.428 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.582 13.447 -1.329 1.00 0.00 O ATOM 786 OD2 ASP A 50 -6.028 12.678 0.070 1.00 0.00 O ATOM 0 H ASP A 50 -0.985 12.017 0.257 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.392 13.374 1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.318 11.267 -0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.365 10.901 0.645 1.00 0.00 H new ATOM 791 N LEU A 51 -1.331 11.466 2.593 1.00 0.00 N ATOM 792 CA LEU A 51 -0.939 10.616 3.754 1.00 0.00 C ATOM 793 C LEU A 51 -0.072 11.440 4.708 1.00 0.00 C ATOM 794 O LEU A 51 0.614 10.905 5.557 1.00 0.00 O ATOM 795 CB LEU A 51 -0.139 9.398 3.270 1.00 0.00 C ATOM 796 CG LEU A 51 -0.412 9.142 1.784 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.487 8.008 1.288 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.878 8.749 1.593 1.00 0.00 C ATOM 0 H LEU A 51 -0.559 11.936 2.120 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.838 10.272 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.926 9.567 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.412 8.519 3.854 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.202 10.048 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.293 7.826 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.532 8.287 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.277 7.102 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.071 8.567 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.089 7.843 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.520 9.556 1.945 1.00 0.00 H new ATOM 810 N ASN A 52 -0.095 12.738 4.575 1.00 0.00 N ATOM 811 CA ASN A 52 0.732 13.594 5.472 1.00 0.00 C ATOM 812 C ASN A 52 2.208 13.236 5.293 1.00 0.00 C ATOM 813 O ASN A 52 3.017 13.428 6.179 1.00 0.00 O ATOM 814 CB ASN A 52 0.323 13.356 6.928 1.00 0.00 C ATOM 815 CG ASN A 52 0.914 14.457 7.812 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.977 15.603 7.413 1.00 0.00 O ATOM 817 ND2 ASN A 52 1.350 14.156 9.004 1.00 0.00 N ATOM 0 H ASN A 52 -0.651 13.243 3.884 1.00 0.00 H new ATOM 0 HA ASN A 52 0.576 14.643 5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.764 13.349 7.015 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.675 12.380 7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.744 14.883 9.602 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.297 13.194 9.339 1.00 0.00 H new ATOM 824 N ALA A 53 2.565 12.715 4.151 1.00 0.00 N ATOM 825 CA ALA A 53 3.988 12.341 3.912 1.00 0.00 C ATOM 826 C ALA A 53 4.742 13.541 3.336 1.00 0.00 C ATOM 827 O ALA A 53 4.275 14.207 2.434 1.00 0.00 O ATOM 828 CB ALA A 53 4.048 11.176 2.922 1.00 0.00 C ATOM 0 H ALA A 53 1.932 12.532 3.372 1.00 0.00 H new ATOM 0 HA ALA A 53 4.449 12.042 4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.088 10.901 2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.511 10.321 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.587 11.475 1.980 1.00 0.00 H new ATOM 834 N ALA A 54 5.909 13.820 3.849 1.00 0.00 N ATOM 835 CA ALA A 54 6.695 14.974 3.331 1.00 0.00 C ATOM 836 C ALA A 54 7.447 14.545 2.071 1.00 0.00 C ATOM 837 O ALA A 54 7.907 15.364 1.299 1.00 0.00 O ATOM 838 CB ALA A 54 7.696 15.429 4.394 1.00 0.00 C ATOM 0 H ALA A 54 6.352 13.298 4.605 1.00 0.00 H new ATOM 0 HA ALA A 54 6.022 15.798 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.271 16.274 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.160 15.730 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.372 14.608 4.633 1.00 0.00 H new ATOM 844 N SER A 55 7.572 13.265 1.856 1.00 0.00 N ATOM 845 CA SER A 55 8.290 12.775 0.647 1.00 0.00 C ATOM 846 C SER A 55 7.970 11.294 0.439 1.00 0.00 C ATOM 847 O SER A 55 7.048 10.762 1.024 1.00 0.00 O ATOM 848 CB SER A 55 9.796 12.950 0.840 1.00 0.00 C ATOM 849 OG SER A 55 10.188 12.333 2.059 1.00 0.00 O ATOM 0 H SER A 55 7.207 12.535 2.468 1.00 0.00 H new ATOM 0 HA SER A 55 7.970 13.346 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.336 12.505 0.004 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.051 14.010 0.857 1.00 0.00 H new ATOM 0 HG SER A 55 11.154 12.442 2.185 1.00 0.00 H new ATOM 855 N ILE A 56 8.725 10.622 -0.384 1.00 0.00 N ATOM 856 CA ILE A 56 8.458 9.176 -0.622 1.00 0.00 C ATOM 857 C ILE A 56 8.898 8.374 0.603 1.00 0.00 C ATOM 858 O ILE A 56 8.173 7.542 1.104 1.00 0.00 O ATOM 859 CB ILE A 56 9.244 8.703 -1.843 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.994 9.658 -3.013 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.788 7.295 -2.228 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.559 9.488 -3.514 1.00 0.00 C ATOM 0 H ILE A 56 9.514 11.010 -0.901 1.00 0.00 H new ATOM 0 HA ILE A 56 7.392 9.028 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 56 10.308 8.689 -1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.160 10.688 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.698 9.454 -3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.348 6.957 -3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.966 6.614 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.724 7.309 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.381 10.168 -4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.409 8.461 -3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.863 9.714 -2.706 1.00 0.00 H new ATOM 874 N GLU A 57 10.080 8.619 1.093 1.00 0.00 N ATOM 875 CA GLU A 57 10.552 7.867 2.287 1.00 0.00 C ATOM 876 C GLU A 57 9.476 7.929 3.372 1.00 0.00 C ATOM 877 O GLU A 57 9.391 7.072 4.228 1.00 0.00 O ATOM 878 CB GLU A 57 11.845 8.497 2.808 1.00 0.00 C ATOM 879 CG GLU A 57 13.005 8.112 1.889 1.00 0.00 C ATOM 880 CD GLU A 57 13.235 9.227 0.867 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.572 10.324 1.283 1.00 0.00 O ATOM 882 OE2 GLU A 57 13.072 8.965 -0.314 1.00 0.00 O ATOM 0 H GLU A 57 10.737 9.304 0.720 1.00 0.00 H new ATOM 0 HA GLU A 57 10.742 6.828 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.743 9.581 2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.044 8.157 3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.909 7.949 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.783 7.175 1.378 1.00 0.00 H new ATOM 889 N ALA A 58 8.652 8.942 3.342 1.00 0.00 N ATOM 890 CA ALA A 58 7.580 9.066 4.368 1.00 0.00 C ATOM 891 C ALA A 58 6.304 8.374 3.877 1.00 0.00 C ATOM 892 O ALA A 58 5.524 7.869 4.660 1.00 0.00 O ATOM 893 CB ALA A 58 7.290 10.547 4.625 1.00 0.00 C ATOM 0 H ALA A 58 8.676 9.690 2.649 1.00 0.00 H new ATOM 0 HA ALA A 58 7.912 8.591 5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.505 10.639 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.195 11.038 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.963 11.020 3.699 1.00 0.00 H new ATOM 899 N ALA A 59 6.078 8.348 2.589 1.00 0.00 N ATOM 900 CA ALA A 59 4.845 7.688 2.065 1.00 0.00 C ATOM 901 C ALA A 59 5.060 6.174 2.000 1.00 0.00 C ATOM 902 O ALA A 59 4.385 5.412 2.664 1.00 0.00 O ATOM 903 CB ALA A 59 4.535 8.220 0.664 1.00 0.00 C ATOM 0 H ALA A 59 6.690 8.753 1.881 1.00 0.00 H new ATOM 0 HA ALA A 59 4.009 7.907 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.635 7.738 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.377 9.298 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.372 8.004 -0.000 1.00 0.00 H new ATOM 909 N MET A 60 5.995 5.731 1.206 1.00 0.00 N ATOM 910 CA MET A 60 6.252 4.268 1.100 1.00 0.00 C ATOM 911 C MET A 60 6.393 3.669 2.502 1.00 0.00 C ATOM 912 O MET A 60 6.225 2.484 2.697 1.00 0.00 O ATOM 913 CB MET A 60 7.543 4.033 0.314 1.00 0.00 C ATOM 914 CG MET A 60 8.741 4.455 1.165 1.00 0.00 C ATOM 915 SD MET A 60 9.716 2.993 1.599 1.00 0.00 S ATOM 916 CE MET A 60 10.134 2.494 -0.089 1.00 0.00 C ATOM 0 H MET A 60 6.593 6.320 0.626 1.00 0.00 H new ATOM 0 HA MET A 60 5.419 3.791 0.584 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.629 2.981 0.042 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.525 4.603 -0.615 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.358 5.167 0.617 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.399 4.959 2.069 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.168 2.151 -0.122 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.474 1.686 -0.403 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.012 3.344 -0.760 1.00 0.00 H new ATOM 926 N ARG A 61 6.704 4.476 3.482 1.00 0.00 N ATOM 927 CA ARG A 61 6.853 3.940 4.866 1.00 0.00 C ATOM 928 C ARG A 61 5.494 3.459 5.376 1.00 0.00 C ATOM 929 O ARG A 61 5.376 2.395 5.948 1.00 0.00 O ATOM 930 CB ARG A 61 7.391 5.037 5.788 1.00 0.00 C ATOM 931 CG ARG A 61 8.709 4.576 6.413 1.00 0.00 C ATOM 932 CD ARG A 61 8.752 4.992 7.884 1.00 0.00 C ATOM 933 NE ARG A 61 8.296 6.405 8.014 1.00 0.00 N ATOM 934 CZ ARG A 61 8.919 7.221 8.819 1.00 0.00 C ATOM 935 NH1 ARG A 61 10.160 7.548 8.586 1.00 0.00 N ATOM 936 NH2 ARG A 61 8.298 7.714 9.857 1.00 0.00 N ATOM 0 H ARG A 61 6.861 5.479 3.384 1.00 0.00 H new ATOM 0 HA ARG A 61 7.552 3.104 4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.545 5.957 5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.664 5.260 6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.805 3.494 6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.551 5.014 5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.114 4.337 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.765 4.888 8.273 1.00 0.00 H new ATOM 0 HE ARG A 61 7.496 6.734 7.473 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.644 7.166 7.774 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.646 8.186 9.216 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.327 7.461 10.038 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.785 8.352 10.487 1.00 0.00 H new ATOM 950 N MET A 62 4.467 4.232 5.169 1.00 0.00 N ATOM 951 CA MET A 62 3.117 3.815 5.638 1.00 0.00 C ATOM 952 C MET A 62 2.588 2.707 4.723 1.00 0.00 C ATOM 953 O MET A 62 1.709 1.953 5.087 1.00 0.00 O ATOM 954 CB MET A 62 2.167 5.014 5.595 1.00 0.00 C ATOM 955 CG MET A 62 2.506 5.973 6.738 1.00 0.00 C ATOM 956 SD MET A 62 1.401 7.405 6.670 1.00 0.00 S ATOM 957 CE MET A 62 2.420 8.428 5.578 1.00 0.00 C ATOM 0 H MET A 62 4.503 5.135 4.695 1.00 0.00 H new ATOM 0 HA MET A 62 3.182 3.445 6.661 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.255 5.527 4.637 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.134 4.677 5.683 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.402 5.465 7.697 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.544 6.297 6.660 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.198 9.481 5.753 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.474 8.241 5.783 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.203 8.179 4.539 1.00 0.00 H new ATOM 967 N ILE A 63 3.122 2.604 3.535 1.00 0.00 N ATOM 968 CA ILE A 63 2.657 1.546 2.591 1.00 0.00 C ATOM 969 C ILE A 63 3.348 0.221 2.920 1.00 0.00 C ATOM 970 O ILE A 63 2.807 -0.842 2.693 1.00 0.00 O ATOM 971 CB ILE A 63 2.995 1.966 1.158 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.023 3.061 0.709 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.869 0.764 0.220 1.00 0.00 C ATOM 974 CD1 ILE A 63 2.477 4.408 1.274 1.00 0.00 C ATOM 0 H ILE A 63 3.862 3.208 3.177 1.00 0.00 H new ATOM 0 HA ILE A 63 1.579 1.417 2.688 1.00 0.00 H new ATOM 0 HB ILE A 63 4.018 2.342 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.986 3.105 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.015 2.831 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.111 1.070 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.558 -0.019 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.848 0.383 0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.786 5.188 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.492 4.359 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.477 4.638 0.907 1.00 0.00 H new ATOM 986 N GLU A 64 4.535 0.271 3.458 1.00 0.00 N ATOM 987 CA GLU A 64 5.244 -0.992 3.803 1.00 0.00 C ATOM 988 C GLU A 64 4.832 -1.420 5.210 1.00 0.00 C ATOM 989 O GLU A 64 4.884 -2.582 5.558 1.00 0.00 O ATOM 990 CB GLU A 64 6.758 -0.769 3.745 1.00 0.00 C ATOM 991 CG GLU A 64 7.206 0.055 4.954 1.00 0.00 C ATOM 992 CD GLU A 64 7.553 -0.883 6.111 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.637 -1.444 6.088 1.00 0.00 O ATOM 994 OE2 GLU A 64 6.730 -1.025 7.000 1.00 0.00 O ATOM 0 H GLU A 64 5.043 1.129 3.673 1.00 0.00 H new ATOM 0 HA GLU A 64 4.979 -1.773 3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.276 -1.728 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.024 -0.253 2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.072 0.663 4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.414 0.741 5.253 1.00 0.00 H new ATOM 1001 N GLY A 65 4.406 -0.486 6.015 1.00 0.00 N ATOM 1002 CA GLY A 65 3.969 -0.831 7.396 1.00 0.00 C ATOM 1003 C GLY A 65 2.474 -1.150 7.369 1.00 0.00 C ATOM 1004 O GLY A 65 1.973 -1.915 8.168 1.00 0.00 O ATOM 0 H GLY A 65 4.342 0.503 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.532 -1.687 7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.166 -0.001 8.074 1.00 0.00 H new ATOM 1008 N THR A 66 1.761 -0.573 6.439 1.00 0.00 N ATOM 1009 CA THR A 66 0.300 -0.842 6.336 1.00 0.00 C ATOM 1010 C THR A 66 0.082 -2.038 5.409 1.00 0.00 C ATOM 1011 O THR A 66 -0.839 -2.810 5.578 1.00 0.00 O ATOM 1012 CB THR A 66 -0.409 0.385 5.755 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.076 1.532 6.526 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.923 0.167 5.788 1.00 0.00 C ATOM 0 H THR A 66 2.131 0.076 5.744 1.00 0.00 H new ATOM 0 HA THR A 66 -0.105 -1.057 7.325 1.00 0.00 H new ATOM 0 HB THR A 66 -0.089 0.535 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.817 1.848 6.273 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.426 1.041 5.374 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.177 -0.712 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.247 0.016 6.818 1.00 0.00 H new ATOM 1022 N ALA A 67 0.931 -2.196 4.430 1.00 0.00 N ATOM 1023 CA ALA A 67 0.784 -3.339 3.489 1.00 0.00 C ATOM 1024 C ALA A 67 1.522 -4.555 4.055 1.00 0.00 C ATOM 1025 O ALA A 67 1.774 -5.521 3.363 1.00 0.00 O ATOM 1026 CB ALA A 67 1.383 -2.959 2.134 1.00 0.00 C ATOM 0 H ALA A 67 1.722 -1.580 4.242 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.271 -3.580 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.277 -3.795 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.860 -2.090 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.440 -2.722 2.257 1.00 0.00 H new ATOM 1032 N ARG A 68 1.872 -4.510 5.313 1.00 0.00 N ATOM 1033 CA ARG A 68 2.595 -5.657 5.931 1.00 0.00 C ATOM 1034 C ARG A 68 1.684 -6.340 6.952 1.00 0.00 C ATOM 1035 O ARG A 68 1.802 -7.521 7.213 1.00 0.00 O ATOM 1036 CB ARG A 68 3.854 -5.147 6.635 1.00 0.00 C ATOM 1037 CG ARG A 68 5.095 -5.669 5.908 1.00 0.00 C ATOM 1038 CD ARG A 68 5.723 -6.805 6.719 1.00 0.00 C ATOM 1039 NE ARG A 68 6.140 -7.899 5.798 1.00 0.00 N ATOM 1040 CZ ARG A 68 6.373 -9.095 6.268 1.00 0.00 C ATOM 1041 NH1 ARG A 68 5.377 -9.887 6.558 1.00 0.00 N ATOM 1042 NH2 ARG A 68 7.601 -9.497 6.448 1.00 0.00 N ATOM 0 H ARG A 68 1.688 -3.726 5.939 1.00 0.00 H new ATOM 0 HA ARG A 68 2.875 -6.370 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.859 -4.057 6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.862 -5.478 7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.824 -6.024 4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.816 -4.863 5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.584 -6.436 7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.008 -7.183 7.450 1.00 0.00 H new ATOM 0 HE ARG A 68 6.244 -7.714 4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.417 -9.572 6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.558 -10.821 6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.379 -8.877 6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.783 -10.431 6.815 1.00 0.00 H new ATOM 1056 N SER A 69 0.777 -5.605 7.534 1.00 0.00 N ATOM 1057 CA SER A 69 -0.140 -6.211 8.540 1.00 0.00 C ATOM 1058 C SER A 69 -1.215 -7.027 7.822 1.00 0.00 C ATOM 1059 O SER A 69 -1.886 -7.846 8.418 1.00 0.00 O ATOM 1060 CB SER A 69 -0.801 -5.101 9.358 1.00 0.00 C ATOM 1061 OG SER A 69 0.172 -4.492 10.198 1.00 0.00 O ATOM 0 H SER A 69 0.631 -4.611 7.357 1.00 0.00 H new ATOM 0 HA SER A 69 0.427 -6.863 9.204 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.241 -4.357 8.694 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.612 -5.511 9.960 1.00 0.00 H new ATOM 0 HG SER A 69 -0.249 -3.779 10.722 1.00 0.00 H new ATOM 1067 N MET A 70 -1.382 -6.812 6.547 1.00 0.00 N ATOM 1068 CA MET A 70 -2.413 -7.576 5.790 1.00 0.00 C ATOM 1069 C MET A 70 -1.798 -8.875 5.263 1.00 0.00 C ATOM 1070 O MET A 70 -2.334 -9.513 4.379 1.00 0.00 O ATOM 1071 CB MET A 70 -2.911 -6.734 4.612 1.00 0.00 C ATOM 1072 CG MET A 70 -4.190 -5.997 5.015 1.00 0.00 C ATOM 1073 SD MET A 70 -3.787 -4.294 5.475 1.00 0.00 S ATOM 1074 CE MET A 70 -3.417 -3.689 3.810 1.00 0.00 C ATOM 0 H MET A 70 -0.849 -6.140 5.996 1.00 0.00 H new ATOM 0 HA MET A 70 -3.249 -7.809 6.449 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.145 -6.018 4.314 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.103 -7.373 3.750 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.901 -6.003 4.189 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.668 -6.507 5.851 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.278 -2.608 3.838 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.506 -4.163 3.445 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.244 -3.931 3.143 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.675 -9.270 5.800 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.028 -10.528 5.329 1.00 0.00 C ATOM 1086 C GLY A 71 0.619 -10.292 3.962 1.00 0.00 C ATOM 1087 O GLY A 71 1.043 -11.217 3.300 1.00 0.00 O ATOM 0 H GLY A 71 -0.179 -8.777 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.725 -10.853 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.768 -11.325 5.260 1.00 0.00 H new ATOM 1091 N ILE A 72 0.699 -9.061 3.533 1.00 0.00 N ATOM 1092 CA ILE A 72 1.320 -8.775 2.209 1.00 0.00 C ATOM 1093 C ILE A 72 2.787 -8.388 2.404 1.00 0.00 C ATOM 1094 O ILE A 72 3.103 -7.479 3.145 1.00 0.00 O ATOM 1095 CB ILE A 72 0.579 -7.618 1.536 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.812 -8.084 1.101 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.368 -7.157 0.309 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.826 -6.968 1.358 1.00 0.00 C ATOM 0 H ILE A 72 0.362 -8.243 4.041 1.00 0.00 H new ATOM 0 HA ILE A 72 1.257 -9.664 1.582 1.00 0.00 H new ATOM 0 HB ILE A 72 0.480 -6.791 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.805 -8.347 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.095 -8.981 1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.842 -6.333 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.359 -6.825 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.465 -7.985 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.817 -7.299 1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.839 -6.726 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.545 -6.082 0.788 1.00 0.00 H new ATOM 1110 N VAL A 73 3.686 -9.065 1.742 1.00 0.00 N ATOM 1111 CA VAL A 73 5.128 -8.722 1.892 1.00 0.00 C ATOM 1112 C VAL A 73 5.509 -7.690 0.826 1.00 0.00 C ATOM 1113 O VAL A 73 4.761 -7.439 -0.099 1.00 0.00 O ATOM 1114 CB VAL A 73 5.977 -10.000 1.747 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.418 -10.204 0.292 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.217 -9.885 2.638 1.00 0.00 C ATOM 0 H VAL A 73 3.485 -9.837 1.107 1.00 0.00 H new ATOM 0 HA VAL A 73 5.314 -8.295 2.877 1.00 0.00 H new ATOM 0 HB VAL A 73 5.372 -10.855 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.016 -11.112 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.538 -10.294 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.014 -9.350 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.821 -10.787 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.805 -9.019 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.909 -9.767 3.677 1.00 0.00 H new ATOM 1126 N VAL A 74 6.659 -7.085 0.944 1.00 0.00 N ATOM 1127 CA VAL A 74 7.065 -6.073 -0.071 1.00 0.00 C ATOM 1128 C VAL A 74 8.560 -6.231 -0.383 1.00 0.00 C ATOM 1129 O VAL A 74 9.397 -6.161 0.494 1.00 0.00 O ATOM 1130 CB VAL A 74 6.753 -4.661 0.472 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.013 -3.987 1.032 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.180 -3.802 -0.657 1.00 0.00 C ATOM 0 H VAL A 74 7.331 -7.246 1.694 1.00 0.00 H new ATOM 0 HA VAL A 74 6.508 -6.220 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 74 6.029 -4.758 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.759 -2.995 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.417 -4.589 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.759 -3.897 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.958 -2.804 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.908 -3.730 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.265 -4.259 -1.033 1.00 0.00 H new ATOM 1142 N GLU A 75 8.898 -6.440 -1.625 1.00 0.00 N ATOM 1143 CA GLU A 75 10.334 -6.597 -1.988 1.00 0.00 C ATOM 1144 C GLU A 75 10.522 -6.292 -3.476 1.00 0.00 C ATOM 1145 O GLU A 75 9.714 -6.667 -4.303 1.00 0.00 O ATOM 1146 CB GLU A 75 10.779 -8.033 -1.699 1.00 0.00 C ATOM 1147 CG GLU A 75 10.558 -8.347 -0.218 1.00 0.00 C ATOM 1148 CD GLU A 75 11.242 -9.669 0.134 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.399 -9.828 -0.219 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.597 -10.502 0.749 1.00 0.00 O ATOM 0 H GLU A 75 8.243 -6.509 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 75 10.935 -5.905 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.215 -8.731 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.831 -8.158 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.960 -7.543 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.491 -8.410 -0.005 1.00 0.00 H new ATOM 1157 N ASP A 76 11.581 -5.612 -3.822 1.00 0.00 N ATOM 1158 CA ASP A 76 11.821 -5.281 -5.255 1.00 0.00 C ATOM 1159 C ASP A 76 11.521 -6.506 -6.122 1.00 0.00 C ATOM 1160 O ASP A 76 11.634 -7.609 -5.613 1.00 0.00 O ATOM 1161 CB ASP A 76 13.283 -4.868 -5.446 1.00 0.00 C ATOM 1162 CG ASP A 76 13.610 -4.813 -6.939 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.021 -5.830 -7.472 1.00 0.00 O ATOM 1164 OD2 ASP A 76 13.443 -3.755 -7.524 1.00 0.00 O ATOM 1165 OXT ASP A 76 11.187 -6.320 -7.280 1.00 0.00 O ATOM 0 H ASP A 76 12.291 -5.271 -3.174 1.00 0.00 H new ATOM 0 HA ASP A 76 11.169 -4.459 -5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.459 -3.894 -4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.941 -5.579 -4.945 1.00 0.00 H new TER 1170 ASP A 76