USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 59 GLN : amide:sc= -0.276 K(o=-0.28,f=-5.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0.00358 (180deg=-0.00899) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.23) USER MOD Single : A 8 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=-0.24) USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= -4.34! (180deg=-4.5!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 45:sc= -0.29 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 165:sc= -1.1 USER MOD Single : A 64 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.6) USER MOD Single : A 65 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.14) USER MOD Single : A 66 TYR OH : rot 15:sc= -0.787 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0442 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.254 -3.334 -8.843 1.00 0.00 N ATOM 2 CA MET A 1 20.229 -2.363 -7.755 1.00 0.00 C ATOM 3 C MET A 1 18.823 -2.226 -7.180 1.00 0.00 C ATOM 4 O MET A 1 18.640 -2.187 -5.963 1.00 0.00 O ATOM 5 CB MET A 1 20.727 -1.003 -8.246 1.00 0.00 C ATOM 6 CG MET A 1 22.233 -0.829 -8.130 1.00 0.00 C ATOM 7 SD MET A 1 23.121 -1.509 -9.545 1.00 0.00 S ATOM 8 CE MET A 1 24.790 -1.570 -8.898 1.00 0.00 C ATOM 0 H1 MET A 1 21.237 -3.498 -9.139 1.00 0.00 H new ATOM 0 H2 MET A 1 19.836 -4.229 -8.519 1.00 0.00 H new ATOM 0 H3 MET A 1 19.707 -2.968 -9.648 1.00 0.00 H new ATOM 0 HA MET A 1 20.891 -2.721 -6.966 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.434 -0.872 -9.288 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.234 -0.217 -7.675 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.466 0.232 -8.035 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.582 -1.315 -7.219 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.461 -1.970 -9.658 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.111 -0.565 -8.624 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.816 -2.212 -8.018 1.00 0.00 H new ATOM 18 N VAL A 2 17.832 -2.153 -8.063 1.00 0.00 N ATOM 19 CA VAL A 2 16.442 -2.021 -7.643 1.00 0.00 C ATOM 20 C VAL A 2 15.707 -3.353 -7.748 1.00 0.00 C ATOM 21 O VAL A 2 14.783 -3.625 -6.982 1.00 0.00 O ATOM 22 CB VAL A 2 15.698 -0.970 -8.488 1.00 0.00 C ATOM 23 CG1 VAL A 2 15.618 -1.411 -9.941 1.00 0.00 C ATOM 24 CG2 VAL A 2 14.309 -0.718 -7.922 1.00 0.00 C ATOM 0 H VAL A 2 17.966 -2.183 -9.074 1.00 0.00 H new ATOM 0 HA VAL A 2 16.455 -1.697 -6.602 1.00 0.00 H new ATOM 0 HB VAL A 2 16.257 -0.035 -8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 2 15.089 -0.656 -10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.625 -1.536 -10.339 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.083 -2.358 -10.005 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.798 0.027 -8.531 1.00 0.00 H new ATOM 0 HG22 VAL A 2 13.739 -1.647 -7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 2 14.394 -0.353 -6.898 1.00 0.00 H new ATOM 34 N SER A 3 16.126 -4.180 -8.700 1.00 0.00 N ATOM 35 CA SER A 3 15.506 -5.484 -8.907 1.00 0.00 C ATOM 36 C SER A 3 16.443 -6.607 -8.474 1.00 0.00 C ATOM 37 O SER A 3 16.612 -7.598 -9.184 1.00 0.00 O ATOM 38 CB SER A 3 15.123 -5.662 -10.378 1.00 0.00 C ATOM 39 OG SER A 3 16.234 -5.430 -11.226 1.00 0.00 O ATOM 0 H SER A 3 16.892 -3.971 -9.340 1.00 0.00 H new ATOM 0 HA SER A 3 14.605 -5.531 -8.296 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.743 -6.671 -10.539 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.317 -4.974 -10.633 1.00 0.00 H new ATOM 0 HG SER A 3 15.964 -5.552 -12.160 1.00 0.00 H new ATOM 45 N ARG A 4 17.052 -6.443 -7.304 1.00 0.00 N ATOM 46 CA ARG A 4 17.974 -7.441 -6.776 1.00 0.00 C ATOM 47 C ARG A 4 17.230 -8.713 -6.381 1.00 0.00 C ATOM 48 O ARG A 4 17.622 -9.817 -6.761 1.00 0.00 O ATOM 49 CB ARG A 4 18.726 -6.882 -5.567 1.00 0.00 C ATOM 50 CG ARG A 4 19.588 -5.673 -5.891 1.00 0.00 C ATOM 51 CD ARG A 4 20.877 -6.079 -6.588 1.00 0.00 C ATOM 52 NE ARG A 4 21.840 -6.665 -5.660 1.00 0.00 N ATOM 53 CZ ARG A 4 23.092 -6.964 -5.991 1.00 0.00 C ATOM 54 NH1 ARG A 4 23.529 -6.732 -7.221 1.00 0.00 N ATOM 55 NH2 ARG A 4 23.909 -7.494 -5.090 1.00 0.00 N ATOM 0 H ARG A 4 16.923 -5.628 -6.704 1.00 0.00 H new ATOM 0 HA ARG A 4 18.691 -7.688 -7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 4 18.005 -6.608 -4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 4 19.357 -7.666 -5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 4 19.030 -4.987 -6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 4 19.823 -5.136 -4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 4 20.652 -6.796 -7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 4 21.320 -5.206 -7.067 1.00 0.00 H new ATOM 0 HE ARG A 4 21.535 -6.855 -4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 4 22.904 -6.323 -7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 4 24.490 -6.962 -7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 4 23.576 -7.672 -4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 4 24.870 -7.723 -5.345 1.00 0.00 H new ATOM 69 N ASP A 5 16.155 -8.551 -5.618 1.00 0.00 N ATOM 70 CA ASP A 5 15.355 -9.687 -5.172 1.00 0.00 C ATOM 71 C ASP A 5 13.884 -9.487 -5.524 1.00 0.00 C ATOM 72 O ASP A 5 13.504 -8.457 -6.081 1.00 0.00 O ATOM 73 CB ASP A 5 15.509 -9.886 -3.664 1.00 0.00 C ATOM 74 CG ASP A 5 14.781 -8.824 -2.863 1.00 0.00 C ATOM 75 OD1 ASP A 5 15.276 -7.679 -2.805 1.00 0.00 O ATOM 76 OD2 ASP A 5 13.714 -9.139 -2.294 1.00 0.00 O ATOM 0 H ASP A 5 15.817 -7.644 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 5 15.715 -10.578 -5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.128 -10.869 -3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.568 -9.871 -3.405 1.00 0.00 H new ATOM 81 N GLN A 6 13.063 -10.479 -5.197 1.00 0.00 N ATOM 82 CA GLN A 6 11.634 -10.412 -5.481 1.00 0.00 C ATOM 83 C GLN A 6 10.899 -9.638 -4.392 1.00 0.00 C ATOM 84 O GLN A 6 10.596 -10.179 -3.329 1.00 0.00 O ATOM 85 CB GLN A 6 11.051 -11.821 -5.604 1.00 0.00 C ATOM 86 CG GLN A 6 9.713 -11.864 -6.325 1.00 0.00 C ATOM 87 CD GLN A 6 9.789 -11.299 -7.729 1.00 0.00 C ATOM 88 OE1 GLN A 6 9.349 -10.177 -7.984 1.00 0.00 O ATOM 89 NE2 GLN A 6 10.348 -12.074 -8.651 1.00 0.00 N ATOM 0 H GLN A 6 13.362 -11.338 -4.736 1.00 0.00 H new ATOM 0 HA GLN A 6 11.501 -9.887 -6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.761 -12.454 -6.135 1.00 0.00 H new ATOM 0 HB3 GLN A 6 10.931 -12.244 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.362 -12.895 -6.371 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.977 -11.302 -5.751 1.00 0.00 H new ATOM 0 HE21 GLN A 6 10.700 -12.997 -8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.426 -11.746 -9.614 1.00 0.00 H new ATOM 98 N ALA A 7 10.615 -8.368 -4.664 1.00 0.00 N ATOM 99 CA ALA A 7 9.913 -7.520 -3.709 1.00 0.00 C ATOM 100 C ALA A 7 8.406 -7.735 -3.787 1.00 0.00 C ATOM 101 O ALA A 7 7.688 -7.539 -2.806 1.00 0.00 O ATOM 102 CB ALA A 7 10.253 -6.057 -3.952 1.00 0.00 C ATOM 0 H ALA A 7 10.861 -7.904 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 7 10.241 -7.796 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.722 -5.435 -3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.327 -5.909 -3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.955 -5.777 -4.962 1.00 0.00 H new ATOM 108 N HIS A 8 7.930 -8.139 -4.961 1.00 0.00 N ATOM 109 CA HIS A 8 6.507 -8.381 -5.167 1.00 0.00 C ATOM 110 C HIS A 8 6.137 -9.810 -4.783 1.00 0.00 C ATOM 111 O HIS A 8 5.826 -10.635 -5.644 1.00 0.00 O ATOM 112 CB HIS A 8 6.129 -8.118 -6.626 1.00 0.00 C ATOM 113 CG HIS A 8 4.651 -8.063 -6.861 1.00 0.00 C ATOM 114 ND1 HIS A 8 3.753 -7.631 -5.909 1.00 0.00 N ATOM 115 CD2 HIS A 8 3.916 -8.386 -7.951 1.00 0.00 C ATOM 116 CE1 HIS A 8 2.529 -7.693 -6.401 1.00 0.00 C ATOM 117 NE2 HIS A 8 2.600 -8.148 -7.639 1.00 0.00 N ATOM 0 H HIS A 8 8.509 -8.306 -5.784 1.00 0.00 H new ATOM 0 HA HIS A 8 5.951 -7.696 -4.526 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.574 -7.175 -6.944 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.559 -8.901 -7.251 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.294 -8.761 -8.891 1.00 0.00 H new ATOM 0 HE1 HIS A 8 1.624 -7.418 -5.880 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.806 -8.298 -8.262 1.00 0.00 H new ATOM 125 N LEU A 9 6.173 -10.097 -3.487 1.00 0.00 N ATOM 126 CA LEU A 9 5.842 -11.428 -2.988 1.00 0.00 C ATOM 127 C LEU A 9 4.515 -11.414 -2.238 1.00 0.00 C ATOM 128 O LEU A 9 4.471 -11.636 -1.029 1.00 0.00 O ATOM 129 CB LEU A 9 6.954 -11.941 -2.071 1.00 0.00 C ATOM 130 CG LEU A 9 8.212 -12.461 -2.767 1.00 0.00 C ATOM 131 CD1 LEU A 9 9.366 -12.558 -1.782 1.00 0.00 C ATOM 132 CD2 LEU A 9 7.944 -13.812 -3.413 1.00 0.00 C ATOM 0 H LEU A 9 6.428 -9.426 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 9 5.747 -12.097 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.243 -11.134 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.548 -12.742 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 9 8.489 -11.755 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.253 -12.930 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.574 -11.572 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.100 -13.242 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.850 -14.167 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.642 -14.527 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.148 -13.711 -4.151 1.00 0.00 H new ATOM 144 N GLY A 10 3.432 -11.153 -2.965 1.00 0.00 N ATOM 145 CA GLY A 10 2.118 -11.117 -2.352 1.00 0.00 C ATOM 146 C GLY A 10 1.982 -10.001 -1.335 1.00 0.00 C ATOM 147 O GLY A 10 2.915 -9.234 -1.096 1.00 0.00 O ATOM 0 H GLY A 10 3.442 -10.966 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.362 -10.992 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.921 -12.073 -1.866 1.00 0.00 H new ATOM 151 N PRO A 11 0.796 -9.898 -0.718 1.00 0.00 N ATOM 152 CA PRO A 11 0.513 -8.869 0.288 1.00 0.00 C ATOM 153 C PRO A 11 1.279 -9.102 1.586 1.00 0.00 C ATOM 154 O PRO A 11 1.951 -10.120 1.749 1.00 0.00 O ATOM 155 CB PRO A 11 -0.993 -9.007 0.523 1.00 0.00 C ATOM 156 CG PRO A 11 -1.305 -10.418 0.160 1.00 0.00 C ATOM 157 CD PRO A 11 -0.361 -10.778 -0.954 1.00 0.00 C ATOM 0 HA PRO A 11 0.816 -7.877 -0.047 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.253 -8.799 1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.556 -8.306 -0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.170 -11.080 1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.342 -10.518 -0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.079 -11.830 -0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.808 -10.601 -1.932 1.00 0.00 H new ATOM 165 N LYS A 12 1.172 -8.152 2.509 1.00 0.00 N ATOM 166 CA LYS A 12 1.853 -8.253 3.794 1.00 0.00 C ATOM 167 C LYS A 12 0.992 -9.000 4.808 1.00 0.00 C ATOM 168 O LYS A 12 -0.202 -9.207 4.591 1.00 0.00 O ATOM 169 CB LYS A 12 2.192 -6.859 4.326 1.00 0.00 C ATOM 170 CG LYS A 12 3.672 -6.656 4.600 1.00 0.00 C ATOM 171 CD LYS A 12 4.117 -5.248 4.240 1.00 0.00 C ATOM 172 CE LYS A 12 5.613 -5.066 4.448 1.00 0.00 C ATOM 173 NZ LYS A 12 5.974 -3.637 4.659 1.00 0.00 N ATOM 0 H LYS A 12 0.620 -7.303 2.391 1.00 0.00 H new ATOM 0 HA LYS A 12 2.776 -8.812 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.859 -6.113 3.604 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.634 -6.684 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.877 -6.845 5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.252 -7.380 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.865 -5.040 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.573 -4.526 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.934 -5.653 5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.150 -5.452 3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.925 -3.577 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.964 -3.138 3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.286 -3.196 5.302 1.00 0.00 H new ATOM 187 N TYR A 13 1.606 -9.403 5.915 1.00 0.00 N ATOM 188 CA TYR A 13 0.896 -10.128 6.962 1.00 0.00 C ATOM 189 C TYR A 13 0.954 -9.370 8.285 1.00 0.00 C ATOM 190 O TYR A 13 1.995 -8.831 8.660 1.00 0.00 O ATOM 191 CB TYR A 13 1.490 -11.526 7.136 1.00 0.00 C ATOM 192 CG TYR A 13 1.373 -12.391 5.901 1.00 0.00 C ATOM 193 CD1 TYR A 13 2.173 -12.160 4.789 1.00 0.00 C ATOM 194 CD2 TYR A 13 0.462 -13.439 5.846 1.00 0.00 C ATOM 195 CE1 TYR A 13 2.070 -12.948 3.658 1.00 0.00 C ATOM 196 CE2 TYR A 13 0.353 -14.232 4.721 1.00 0.00 C ATOM 197 CZ TYR A 13 1.159 -13.982 3.629 1.00 0.00 C ATOM 198 OH TYR A 13 1.052 -14.769 2.506 1.00 0.00 O ATOM 0 H TYR A 13 2.594 -9.240 6.110 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.148 -10.219 6.662 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.542 -11.434 7.407 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.990 -12.024 7.967 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.888 -11.351 4.809 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.172 -13.637 6.698 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.700 -12.755 2.802 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.359 -15.044 4.696 1.00 0.00 H new ATOM 0 HH TYR A 13 0.365 -15.452 2.650 1.00 0.00 H new ATOM 208 N VAL A 14 -0.173 -9.334 8.989 1.00 0.00 N ATOM 209 CA VAL A 14 -0.252 -8.645 10.272 1.00 0.00 C ATOM 210 C VAL A 14 -1.059 -9.454 11.281 1.00 0.00 C ATOM 211 O VAL A 14 -1.977 -10.185 10.915 1.00 0.00 O ATOM 212 CB VAL A 14 -0.888 -7.250 10.121 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.405 -7.355 10.094 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.428 -6.332 11.244 1.00 0.00 C ATOM 0 H VAL A 14 -1.044 -9.774 8.692 1.00 0.00 H new ATOM 0 HA VAL A 14 0.770 -8.533 10.635 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.561 -6.820 9.174 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.837 -6.360 9.987 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.712 -7.976 9.253 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.755 -7.804 11.023 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.886 -5.351 11.122 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.725 -6.755 12.204 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.657 -6.232 11.211 1.00 0.00 H new ATOM 224 N GLY A 15 -0.709 -9.316 12.557 1.00 0.00 N ATOM 225 CA GLY A 15 -1.411 -10.039 13.601 1.00 0.00 C ATOM 226 C GLY A 15 -0.563 -10.234 14.842 1.00 0.00 C ATOM 227 O GLY A 15 -0.601 -11.294 15.469 1.00 0.00 O ATOM 0 H GLY A 15 0.048 -8.716 12.886 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.319 -9.497 13.866 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.721 -11.012 13.220 1.00 0.00 H new ATOM 231 N LEU A 16 0.206 -9.211 15.198 1.00 0.00 N ATOM 232 CA LEU A 16 1.069 -9.275 16.372 1.00 0.00 C ATOM 233 C LEU A 16 0.622 -8.273 17.432 1.00 0.00 C ATOM 234 O LEU A 16 1.301 -7.277 17.684 1.00 0.00 O ATOM 235 CB LEU A 16 2.521 -9.003 15.977 1.00 0.00 C ATOM 236 CG LEU A 16 3.578 -9.866 16.667 1.00 0.00 C ATOM 237 CD1 LEU A 16 3.596 -9.593 18.163 1.00 0.00 C ATOM 238 CD2 LEU A 16 3.321 -11.342 16.396 1.00 0.00 C ATOM 0 H LEU A 16 0.249 -8.327 14.690 1.00 0.00 H new ATOM 0 HA LEU A 16 0.995 -10.278 16.793 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.615 -9.141 14.900 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.743 -7.956 16.185 1.00 0.00 H new ATOM 0 HG LEU A 16 4.555 -9.606 16.259 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.354 -10.216 18.637 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.828 -8.542 18.338 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.619 -9.825 18.587 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.083 -11.941 16.895 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.337 -11.616 16.777 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.359 -11.527 15.322 1.00 0.00 H new ATOM 250 N TRP A 17 -0.522 -8.544 18.050 1.00 0.00 N ATOM 251 CA TRP A 17 -1.058 -7.667 19.084 1.00 0.00 C ATOM 252 C TRP A 17 0.029 -7.267 20.076 1.00 0.00 C ATOM 253 O TRP A 17 1.083 -7.899 20.144 1.00 0.00 O ATOM 254 CB TRP A 17 -2.209 -8.355 19.820 1.00 0.00 C ATOM 255 CG TRP A 17 -3.267 -7.404 20.289 1.00 0.00 C ATOM 256 CD1 TRP A 17 -3.820 -6.377 19.579 1.00 0.00 C ATOM 257 CD2 TRP A 17 -3.900 -7.392 21.574 1.00 0.00 C ATOM 258 NE1 TRP A 17 -4.757 -5.727 20.344 1.00 0.00 N ATOM 259 CE2 TRP A 17 -4.826 -6.330 21.572 1.00 0.00 C ATOM 260 CE3 TRP A 17 -3.775 -8.175 22.725 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -5.620 -6.034 22.677 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -4.563 -7.879 23.820 1.00 0.00 C ATOM 263 CH2 TRP A 17 -5.477 -6.816 23.790 1.00 0.00 C ATOM 0 H TRP A 17 -1.096 -9.364 17.853 1.00 0.00 H new ATOM 0 HA TRP A 17 -1.433 -6.765 18.601 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.662 -9.095 19.160 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -1.810 -8.896 20.678 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.559 -6.114 18.565 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -5.312 -4.925 20.046 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.075 -8.997 22.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -6.324 -5.215 22.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.474 -8.477 24.715 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -6.080 -6.611 24.662 1.00 0.00 H new ATOM 274 N ASP A 18 -0.235 -6.216 20.844 1.00 0.00 N ATOM 275 CA ASP A 18 0.721 -5.733 21.834 1.00 0.00 C ATOM 276 C ASP A 18 1.252 -6.883 22.683 1.00 0.00 C ATOM 277 O ASP A 18 0.584 -7.346 23.608 1.00 0.00 O ATOM 278 CB ASP A 18 0.071 -4.678 22.731 1.00 0.00 C ATOM 279 CG ASP A 18 -1.275 -5.125 23.267 1.00 0.00 C ATOM 280 OD1 ASP A 18 -2.293 -4.894 22.582 1.00 0.00 O ATOM 281 OD2 ASP A 18 -1.310 -5.706 24.373 1.00 0.00 O ATOM 0 H ASP A 18 -1.103 -5.682 20.800 1.00 0.00 H new ATOM 0 HA ASP A 18 1.558 -5.280 21.303 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.736 -4.455 23.566 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.054 -3.753 22.168 1.00 0.00 H new ATOM 286 N PHE A 19 2.457 -7.342 22.362 1.00 0.00 N ATOM 287 CA PHE A 19 3.077 -8.441 23.094 1.00 0.00 C ATOM 288 C PHE A 19 4.596 -8.304 23.097 1.00 0.00 C ATOM 289 O PHE A 19 5.233 -8.295 22.043 1.00 0.00 O ATOM 290 CB PHE A 19 2.676 -9.783 22.478 1.00 0.00 C ATOM 291 CG PHE A 19 2.563 -10.894 23.482 1.00 0.00 C ATOM 292 CD1 PHE A 19 3.699 -11.457 24.042 1.00 0.00 C ATOM 293 CD2 PHE A 19 1.322 -11.375 23.868 1.00 0.00 C ATOM 294 CE1 PHE A 19 3.598 -12.480 24.966 1.00 0.00 C ATOM 295 CE2 PHE A 19 1.216 -12.397 24.791 1.00 0.00 C ATOM 296 CZ PHE A 19 2.355 -12.950 25.342 1.00 0.00 C ATOM 0 H PHE A 19 3.024 -6.970 21.600 1.00 0.00 H new ATOM 0 HA PHE A 19 2.724 -8.402 24.125 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.720 -9.668 21.967 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.411 -10.061 21.722 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.674 -11.092 23.753 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.427 -10.946 23.442 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.491 -12.912 25.394 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.243 -12.764 25.082 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.274 -13.748 26.065 1.00 0.00 H new ATOM 306 N LYS A 20 5.173 -8.196 24.289 1.00 0.00 N ATOM 307 CA LYS A 20 6.617 -8.060 24.432 1.00 0.00 C ATOM 308 C LYS A 20 7.194 -9.211 25.250 1.00 0.00 C ATOM 309 O LYS A 20 7.075 -9.235 26.475 1.00 0.00 O ATOM 310 CB LYS A 20 6.961 -6.725 25.098 1.00 0.00 C ATOM 311 CG LYS A 20 6.793 -5.527 24.179 1.00 0.00 C ATOM 312 CD LYS A 20 5.366 -5.004 24.200 1.00 0.00 C ATOM 313 CE LYS A 20 5.159 -3.907 23.166 1.00 0.00 C ATOM 314 NZ LYS A 20 5.631 -2.584 23.660 1.00 0.00 N ATOM 0 H LYS A 20 4.661 -8.200 25.171 1.00 0.00 H new ATOM 0 HA LYS A 20 7.059 -8.087 23.436 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.327 -6.592 25.975 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.991 -6.760 25.452 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.476 -4.735 24.484 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.064 -5.807 23.161 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.674 -5.824 24.006 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.133 -4.619 25.193 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.693 -4.165 22.251 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.101 -3.843 22.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.473 -1.863 22.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.104 -2.326 24.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.646 -2.637 23.880 1.00 0.00 H new ATOM 328 N SER A 21 7.820 -10.162 24.565 1.00 0.00 N ATOM 329 CA SER A 21 8.414 -11.317 25.228 1.00 0.00 C ATOM 330 C SER A 21 9.911 -11.112 25.439 1.00 0.00 C ATOM 331 O SER A 21 10.467 -10.080 25.063 1.00 0.00 O ATOM 332 CB SER A 21 8.172 -12.584 24.405 1.00 0.00 C ATOM 333 OG SER A 21 6.815 -12.986 24.475 1.00 0.00 O ATOM 0 H SER A 21 7.929 -10.156 23.551 1.00 0.00 H new ATOM 0 HA SER A 21 7.940 -11.429 26.203 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.448 -12.405 23.366 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.812 -13.387 24.771 1.00 0.00 H new ATOM 0 HG SER A 21 6.236 -12.204 24.359 1.00 0.00 H new ATOM 339 N ARG A 22 10.558 -12.103 26.044 1.00 0.00 N ATOM 340 CA ARG A 22 11.990 -12.032 26.307 1.00 0.00 C ATOM 341 C ARG A 22 12.717 -13.218 25.680 1.00 0.00 C ATOM 342 O ARG A 22 13.779 -13.629 26.150 1.00 0.00 O ATOM 343 CB ARG A 22 12.252 -11.999 27.814 1.00 0.00 C ATOM 344 CG ARG A 22 11.578 -10.836 28.524 1.00 0.00 C ATOM 345 CD ARG A 22 11.134 -11.222 29.927 1.00 0.00 C ATOM 346 NE ARG A 22 11.102 -10.072 30.826 1.00 0.00 N ATOM 347 CZ ARG A 22 10.943 -10.171 32.141 1.00 0.00 C ATOM 348 NH1 ARG A 22 10.803 -11.362 32.707 1.00 0.00 N ATOM 349 NH2 ARG A 22 10.925 -9.078 32.893 1.00 0.00 N ATOM 0 H ARG A 22 10.113 -12.964 26.361 1.00 0.00 H new ATOM 0 HA ARG A 22 12.372 -11.115 25.858 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.905 -12.933 28.255 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.327 -11.945 27.986 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.267 -9.993 28.578 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.715 -10.506 27.946 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.144 -11.675 29.882 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.812 -11.976 30.327 1.00 0.00 H new ATOM 0 HE ARG A 22 11.208 -9.141 30.422 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.817 -12.205 32.132 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.681 -11.436 33.717 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.033 -8.160 32.461 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.803 -9.156 33.903 1.00 0.00 H new ATOM 363 N THR A 23 12.139 -13.764 24.614 1.00 0.00 N ATOM 364 CA THR A 23 12.731 -14.902 23.923 1.00 0.00 C ATOM 365 C THR A 23 12.445 -14.846 22.427 1.00 0.00 C ATOM 366 O THR A 23 11.430 -14.296 21.999 1.00 0.00 O ATOM 367 CB THR A 23 12.204 -16.236 24.485 1.00 0.00 C ATOM 368 OG1 THR A 23 10.863 -16.072 24.959 1.00 0.00 O ATOM 369 CG2 THR A 23 13.090 -16.734 25.617 1.00 0.00 C ATOM 0 H THR A 23 11.261 -13.436 24.211 1.00 0.00 H new ATOM 0 HA THR A 23 13.807 -14.847 24.087 1.00 0.00 H new ATOM 0 HB THR A 23 12.218 -16.974 23.683 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.535 -16.925 25.313 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.698 -17.677 25.998 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.104 -16.886 25.246 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.104 -15.996 26.419 1.00 0.00 H new ATOM 377 N ASP A 24 13.345 -15.418 21.636 1.00 0.00 N ATOM 378 CA ASP A 24 13.189 -15.435 20.186 1.00 0.00 C ATOM 379 C ASP A 24 11.891 -16.132 19.787 1.00 0.00 C ATOM 380 O ASP A 24 11.359 -15.899 18.703 1.00 0.00 O ATOM 381 CB ASP A 24 14.380 -16.135 19.531 1.00 0.00 C ATOM 382 CG ASP A 24 15.696 -15.448 19.837 1.00 0.00 C ATOM 383 OD1 ASP A 24 15.795 -14.224 19.605 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.627 -16.132 20.311 1.00 0.00 O ATOM 0 H ASP A 24 14.191 -15.877 21.974 1.00 0.00 H new ATOM 0 HA ASP A 24 13.148 -14.403 19.838 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.424 -17.168 19.875 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.231 -16.165 18.452 1.00 0.00 H new ATOM 389 N GLU A 25 11.389 -16.987 20.672 1.00 0.00 N ATOM 390 CA GLU A 25 10.155 -17.719 20.411 1.00 0.00 C ATOM 391 C GLU A 25 8.992 -16.759 20.182 1.00 0.00 C ATOM 392 O GLU A 25 7.977 -17.127 19.590 1.00 0.00 O ATOM 393 CB GLU A 25 9.835 -18.656 21.577 1.00 0.00 C ATOM 394 CG GLU A 25 11.021 -19.492 22.029 1.00 0.00 C ATOM 395 CD GLU A 25 10.616 -20.631 22.945 1.00 0.00 C ATOM 396 OE1 GLU A 25 9.579 -20.504 23.628 1.00 0.00 O ATOM 397 OE2 GLU A 25 11.338 -21.650 22.978 1.00 0.00 O ATOM 0 H GLU A 25 11.817 -17.190 21.575 1.00 0.00 H new ATOM 0 HA GLU A 25 10.298 -18.312 19.507 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.476 -18.065 22.419 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.022 -19.321 21.285 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.530 -19.897 21.154 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.736 -18.852 22.546 1.00 0.00 H new ATOM 404 N GLU A 26 9.147 -15.526 20.655 1.00 0.00 N ATOM 405 CA GLU A 26 8.109 -14.514 20.503 1.00 0.00 C ATOM 406 C GLU A 26 8.702 -13.196 20.011 1.00 0.00 C ATOM 407 O GLU A 26 9.896 -12.941 20.173 1.00 0.00 O ATOM 408 CB GLU A 26 7.381 -14.294 21.830 1.00 0.00 C ATOM 409 CG GLU A 26 6.167 -15.190 22.014 1.00 0.00 C ATOM 410 CD GLU A 26 5.002 -14.467 22.662 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.555 -13.443 22.103 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.537 -14.925 23.727 1.00 0.00 O ATOM 0 H GLU A 26 9.981 -15.205 21.146 1.00 0.00 H new ATOM 0 HA GLU A 26 7.395 -14.871 19.761 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.078 -14.467 22.650 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.066 -13.252 21.894 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.855 -15.577 21.044 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.443 -16.049 22.626 1.00 0.00 H new ATOM 419 N LEU A 27 7.859 -12.363 19.411 1.00 0.00 N ATOM 420 CA LEU A 27 8.298 -11.071 18.895 1.00 0.00 C ATOM 421 C LEU A 27 8.139 -9.981 19.950 1.00 0.00 C ATOM 422 O LEU A 27 7.325 -10.102 20.865 1.00 0.00 O ATOM 423 CB LEU A 27 7.503 -10.703 17.641 1.00 0.00 C ATOM 424 CG LEU A 27 7.863 -11.472 16.369 1.00 0.00 C ATOM 425 CD1 LEU A 27 9.356 -11.379 16.094 1.00 0.00 C ATOM 426 CD2 LEU A 27 7.429 -12.926 16.484 1.00 0.00 C ATOM 0 H LEU A 27 6.868 -12.559 19.270 1.00 0.00 H new ATOM 0 HA LEU A 27 9.354 -11.150 18.637 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.444 -10.858 17.848 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.638 -9.639 17.449 1.00 0.00 H new ATOM 0 HG LEU A 27 7.331 -11.021 15.531 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.594 -11.932 15.185 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.638 -10.334 15.967 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.908 -11.804 16.932 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.693 -13.458 15.570 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.932 -13.390 17.332 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.350 -12.973 16.632 1.00 0.00 H new ATOM 438 N SER A 28 8.921 -8.914 19.814 1.00 0.00 N ATOM 439 CA SER A 28 8.868 -7.803 20.756 1.00 0.00 C ATOM 440 C SER A 28 8.380 -6.531 20.069 1.00 0.00 C ATOM 441 O SER A 28 9.140 -5.580 19.884 1.00 0.00 O ATOM 442 CB SER A 28 10.247 -7.564 21.374 1.00 0.00 C ATOM 443 OG SER A 28 11.279 -7.855 20.447 1.00 0.00 O ATOM 0 H SER A 28 9.598 -8.796 19.061 1.00 0.00 H new ATOM 0 HA SER A 28 8.163 -8.063 21.546 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.328 -6.527 21.700 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.364 -8.187 22.261 1.00 0.00 H new ATOM 0 HG SER A 28 12.150 -7.693 20.866 1.00 0.00 H new ATOM 449 N PHE A 29 7.105 -6.522 19.693 1.00 0.00 N ATOM 450 CA PHE A 29 6.513 -5.369 19.025 1.00 0.00 C ATOM 451 C PHE A 29 4.992 -5.392 19.145 1.00 0.00 C ATOM 452 O PHE A 29 4.401 -6.419 19.476 1.00 0.00 O ATOM 453 CB PHE A 29 6.920 -5.343 17.550 1.00 0.00 C ATOM 454 CG PHE A 29 7.040 -3.956 16.986 1.00 0.00 C ATOM 455 CD1 PHE A 29 8.159 -3.182 17.249 1.00 0.00 C ATOM 456 CD2 PHE A 29 6.035 -3.427 16.192 1.00 0.00 C ATOM 457 CE1 PHE A 29 8.272 -1.905 16.731 1.00 0.00 C ATOM 458 CE2 PHE A 29 6.143 -2.151 15.672 1.00 0.00 C ATOM 459 CZ PHE A 29 7.264 -1.390 15.941 1.00 0.00 C ATOM 0 H PHE A 29 6.462 -7.300 19.840 1.00 0.00 H new ATOM 0 HA PHE A 29 6.884 -4.468 19.513 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.874 -5.857 17.435 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.186 -5.901 16.969 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.951 -3.581 17.865 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.157 -4.019 15.977 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.148 -1.311 16.944 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.352 -1.749 15.056 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.352 -0.394 15.534 1.00 0.00 H new ATOM 469 N ARG A 30 4.366 -4.251 18.874 1.00 0.00 N ATOM 470 CA ARG A 30 2.915 -4.140 18.953 1.00 0.00 C ATOM 471 C ARG A 30 2.275 -4.390 17.590 1.00 0.00 C ATOM 472 O ARG A 30 2.962 -4.435 16.570 1.00 0.00 O ATOM 473 CB ARG A 30 2.516 -2.756 19.469 1.00 0.00 C ATOM 474 CG ARG A 30 2.763 -1.638 18.468 1.00 0.00 C ATOM 475 CD ARG A 30 2.321 -0.291 19.018 1.00 0.00 C ATOM 476 NE ARG A 30 2.938 0.822 18.301 1.00 0.00 N ATOM 477 CZ ARG A 30 2.917 2.077 18.735 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.313 2.378 19.876 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.502 3.035 18.027 1.00 0.00 N ATOM 0 H ARG A 30 4.841 -3.391 18.598 1.00 0.00 H new ATOM 0 HA ARG A 30 2.555 -4.898 19.649 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.459 -2.767 19.735 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.072 -2.544 20.382 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.823 -1.600 18.218 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.225 -1.850 17.544 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.236 -0.210 18.949 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.579 -0.229 20.075 1.00 0.00 H new ATOM 0 HE ARG A 30 3.411 0.625 17.419 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.863 1.645 20.424 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.299 3.343 20.206 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.968 2.808 17.149 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.485 3.999 18.361 1.00 0.00 H new ATOM 493 N ALA A 31 0.956 -4.552 17.582 1.00 0.00 N ATOM 494 CA ALA A 31 0.224 -4.797 16.345 1.00 0.00 C ATOM 495 C ALA A 31 0.342 -3.610 15.394 1.00 0.00 C ATOM 496 O ALA A 31 0.830 -2.546 15.772 1.00 0.00 O ATOM 497 CB ALA A 31 -1.238 -5.091 16.647 1.00 0.00 C ATOM 0 H ALA A 31 0.372 -4.518 18.418 1.00 0.00 H new ATOM 0 HA ALA A 31 0.664 -5.666 15.856 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.773 -5.272 15.715 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.308 -5.974 17.283 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.682 -4.238 17.160 1.00 0.00 H new ATOM 503 N GLY A 32 -0.109 -3.802 14.158 1.00 0.00 N ATOM 504 CA GLY A 32 -0.044 -2.739 13.172 1.00 0.00 C ATOM 505 C GLY A 32 1.221 -2.798 12.338 1.00 0.00 C ATOM 506 O GLY A 32 1.251 -2.308 11.209 1.00 0.00 O ATOM 0 H GLY A 32 -0.518 -4.674 13.822 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.912 -2.803 12.515 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.097 -1.775 13.678 1.00 0.00 H new ATOM 510 N ASP A 33 2.267 -3.396 12.896 1.00 0.00 N ATOM 511 CA ASP A 33 3.541 -3.517 12.196 1.00 0.00 C ATOM 512 C ASP A 33 3.465 -4.585 11.109 1.00 0.00 C ATOM 513 O ASP A 33 2.658 -5.511 11.189 1.00 0.00 O ATOM 514 CB ASP A 33 4.660 -3.855 13.183 1.00 0.00 C ATOM 515 CG ASP A 33 6.018 -3.385 12.701 1.00 0.00 C ATOM 516 OD1 ASP A 33 6.065 -2.601 11.730 1.00 0.00 O ATOM 517 OD2 ASP A 33 7.034 -3.801 13.296 1.00 0.00 O ATOM 0 H ASP A 33 2.259 -3.805 13.831 1.00 0.00 H new ATOM 0 HA ASP A 33 3.760 -2.559 11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.441 -3.396 14.147 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.687 -4.933 13.342 1.00 0.00 H new ATOM 522 N VAL A 34 4.311 -4.449 10.093 1.00 0.00 N ATOM 523 CA VAL A 34 4.341 -5.402 8.990 1.00 0.00 C ATOM 524 C VAL A 34 5.342 -6.520 9.256 1.00 0.00 C ATOM 525 O VAL A 34 6.439 -6.279 9.762 1.00 0.00 O ATOM 526 CB VAL A 34 4.700 -4.712 7.661 1.00 0.00 C ATOM 527 CG1 VAL A 34 3.677 -3.638 7.324 1.00 0.00 C ATOM 528 CG2 VAL A 34 6.101 -4.123 7.729 1.00 0.00 C ATOM 0 H VAL A 34 4.985 -3.688 10.011 1.00 0.00 H new ATOM 0 HA VAL A 34 3.340 -5.826 8.912 1.00 0.00 H new ATOM 0 HB VAL A 34 4.682 -5.459 6.867 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.947 -3.161 6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.690 -4.092 7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.660 -2.890 8.117 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.339 -3.639 6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.148 -3.389 8.533 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.821 -4.918 7.921 1.00 0.00 H new ATOM 538 N PHE A 35 4.958 -7.745 8.913 1.00 0.00 N ATOM 539 CA PHE A 35 5.823 -8.902 9.115 1.00 0.00 C ATOM 540 C PHE A 35 5.911 -9.744 7.845 1.00 0.00 C ATOM 541 O PHE A 35 5.108 -9.586 6.925 1.00 0.00 O ATOM 542 CB PHE A 35 5.303 -9.758 10.272 1.00 0.00 C ATOM 543 CG PHE A 35 4.959 -8.962 11.498 1.00 0.00 C ATOM 544 CD1 PHE A 35 5.930 -8.659 12.439 1.00 0.00 C ATOM 545 CD2 PHE A 35 3.664 -8.517 11.711 1.00 0.00 C ATOM 546 CE1 PHE A 35 5.617 -7.926 13.568 1.00 0.00 C ATOM 547 CE2 PHE A 35 3.345 -7.784 12.838 1.00 0.00 C ATOM 548 CZ PHE A 35 4.322 -7.489 13.769 1.00 0.00 C ATOM 0 H PHE A 35 4.054 -7.962 8.494 1.00 0.00 H new ATOM 0 HA PHE A 35 6.821 -8.539 9.360 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.418 -10.302 9.942 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.057 -10.502 10.531 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.944 -9.000 12.288 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.895 -8.746 10.988 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.384 -7.695 14.292 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.332 -7.442 12.991 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.074 -6.918 14.652 1.00 0.00 H new ATOM 558 N HIS A 36 6.893 -10.638 7.802 1.00 0.00 N ATOM 559 CA HIS A 36 7.087 -11.506 6.645 1.00 0.00 C ATOM 560 C HIS A 36 7.494 -12.910 7.082 1.00 0.00 C ATOM 561 O HIS A 36 8.382 -13.079 7.918 1.00 0.00 O ATOM 562 CB HIS A 36 8.150 -10.920 5.715 1.00 0.00 C ATOM 563 CG HIS A 36 8.317 -11.687 4.439 1.00 0.00 C ATOM 564 ND1 HIS A 36 9.258 -12.682 4.277 1.00 0.00 N ATOM 565 CD2 HIS A 36 7.656 -11.601 3.262 1.00 0.00 C ATOM 566 CE1 HIS A 36 9.170 -13.174 3.054 1.00 0.00 C ATOM 567 NE2 HIS A 36 8.205 -12.535 2.418 1.00 0.00 N ATOM 0 H HIS A 36 7.567 -10.781 8.554 1.00 0.00 H new ATOM 0 HA HIS A 36 6.141 -11.572 6.107 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.886 -9.889 5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.105 -10.892 6.240 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.847 -10.924 3.029 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.782 -13.964 2.644 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.914 -12.707 1.456 1.00 0.00 H new ATOM 575 N VAL A 37 6.839 -13.915 6.510 1.00 0.00 N ATOM 576 CA VAL A 37 7.132 -15.305 6.839 1.00 0.00 C ATOM 577 C VAL A 37 8.214 -15.870 5.926 1.00 0.00 C ATOM 578 O VAL A 37 8.195 -15.650 4.715 1.00 0.00 O ATOM 579 CB VAL A 37 5.873 -16.185 6.731 1.00 0.00 C ATOM 580 CG1 VAL A 37 5.246 -16.054 5.352 1.00 0.00 C ATOM 581 CG2 VAL A 37 6.211 -17.637 7.036 1.00 0.00 C ATOM 0 H VAL A 37 6.101 -13.793 5.816 1.00 0.00 H new ATOM 0 HA VAL A 37 7.488 -15.318 7.869 1.00 0.00 H new ATOM 0 HB VAL A 37 5.147 -15.842 7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.358 -16.683 5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.967 -15.015 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.963 -16.370 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.310 -18.245 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.955 -17.995 6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.610 -17.713 8.047 1.00 0.00 H new ATOM 591 N ALA A 38 9.156 -16.599 6.514 1.00 0.00 N ATOM 592 CA ALA A 38 10.245 -17.198 5.752 1.00 0.00 C ATOM 593 C ALA A 38 10.089 -18.713 5.670 1.00 0.00 C ATOM 594 O ALA A 38 10.678 -19.361 4.805 1.00 0.00 O ATOM 595 CB ALA A 38 11.586 -16.837 6.375 1.00 0.00 C ATOM 0 H ALA A 38 9.187 -16.789 7.516 1.00 0.00 H new ATOM 0 HA ALA A 38 10.208 -16.799 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.390 -17.291 5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.707 -15.754 6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.623 -17.208 7.399 1.00 0.00 H new ATOM 601 N ARG A 39 9.293 -19.271 6.576 1.00 0.00 N ATOM 602 CA ARG A 39 9.061 -20.710 6.606 1.00 0.00 C ATOM 603 C ARG A 39 7.743 -21.034 7.302 1.00 0.00 C ATOM 604 O ARG A 39 7.362 -20.378 8.272 1.00 0.00 O ATOM 605 CB ARG A 39 10.214 -21.419 7.319 1.00 0.00 C ATOM 606 CG ARG A 39 11.229 -22.036 6.371 1.00 0.00 C ATOM 607 CD ARG A 39 10.602 -23.125 5.515 1.00 0.00 C ATOM 608 NE ARG A 39 11.605 -24.024 4.950 1.00 0.00 N ATOM 609 CZ ARG A 39 11.360 -24.865 3.952 1.00 0.00 C ATOM 610 NH1 ARG A 39 10.151 -24.922 3.411 1.00 0.00 N ATOM 611 NH2 ARG A 39 12.325 -25.651 3.493 1.00 0.00 N ATOM 0 H ARG A 39 8.798 -18.749 7.299 1.00 0.00 H new ATOM 0 HA ARG A 39 9.005 -21.065 5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.722 -20.706 7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.807 -22.200 7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.646 -21.261 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.057 -22.454 6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.899 -23.700 6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.030 -22.667 4.708 1.00 0.00 H new ATOM 0 HE ARG A 39 12.546 -24.005 5.344 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.407 -24.319 3.761 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.965 -25.569 2.644 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.256 -25.610 3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.136 -26.297 2.726 1.00 0.00 H new ATOM 625 N LYS A 40 7.049 -22.051 6.801 1.00 0.00 N ATOM 626 CA LYS A 40 5.773 -22.464 7.374 1.00 0.00 C ATOM 627 C LYS A 40 5.762 -23.963 7.653 1.00 0.00 C ATOM 628 O LYS A 40 5.716 -24.775 6.730 1.00 0.00 O ATOM 629 CB LYS A 40 4.625 -22.102 6.429 1.00 0.00 C ATOM 630 CG LYS A 40 3.254 -22.471 6.968 1.00 0.00 C ATOM 631 CD LYS A 40 2.241 -22.638 5.848 1.00 0.00 C ATOM 632 CE LYS A 40 1.925 -21.309 5.179 1.00 0.00 C ATOM 633 NZ LYS A 40 0.551 -21.290 4.606 1.00 0.00 N ATOM 0 H LYS A 40 7.349 -22.605 5.999 1.00 0.00 H new ATOM 0 HA LYS A 40 5.639 -21.935 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.652 -21.030 6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.779 -22.606 5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.323 -23.397 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.913 -21.698 7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.629 -23.337 5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.324 -23.073 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.027 -20.503 5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.651 -21.119 4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.374 -20.368 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.461 -22.043 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.144 -21.446 5.364 1.00 0.00 H new ATOM 647 N GLU A 41 5.804 -24.323 8.933 1.00 0.00 N ATOM 648 CA GLU A 41 5.798 -25.725 9.332 1.00 0.00 C ATOM 649 C GLU A 41 4.371 -26.225 9.541 1.00 0.00 C ATOM 650 O GLU A 41 3.414 -25.458 9.444 1.00 0.00 O ATOM 651 CB GLU A 41 6.610 -25.917 10.614 1.00 0.00 C ATOM 652 CG GLU A 41 7.344 -27.246 10.677 1.00 0.00 C ATOM 653 CD GLU A 41 8.635 -27.163 11.468 1.00 0.00 C ATOM 654 OE1 GLU A 41 9.623 -26.615 10.937 1.00 0.00 O ATOM 655 OE2 GLU A 41 8.656 -27.646 12.620 1.00 0.00 O ATOM 0 H GLU A 41 5.842 -23.663 9.710 1.00 0.00 H new ATOM 0 HA GLU A 41 6.255 -26.306 8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.334 -25.107 10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.942 -25.839 11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.693 -27.995 11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.564 -27.584 9.664 1.00 0.00 H new ATOM 662 N GLU A 42 4.239 -27.517 9.827 1.00 0.00 N ATOM 663 CA GLU A 42 2.930 -28.119 10.049 1.00 0.00 C ATOM 664 C GLU A 42 2.357 -27.697 11.399 1.00 0.00 C ATOM 665 O GLU A 42 1.174 -27.894 11.671 1.00 0.00 O ATOM 666 CB GLU A 42 3.027 -29.645 9.979 1.00 0.00 C ATOM 667 CG GLU A 42 3.725 -30.265 11.177 1.00 0.00 C ATOM 668 CD GLU A 42 3.719 -31.781 11.135 1.00 0.00 C ATOM 669 OE1 GLU A 42 3.661 -32.344 10.022 1.00 0.00 O ATOM 670 OE2 GLU A 42 3.772 -32.404 12.217 1.00 0.00 O ATOM 0 H GLU A 42 5.022 -28.166 9.910 1.00 0.00 H new ATOM 0 HA GLU A 42 2.260 -27.768 9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.023 -30.061 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.562 -29.926 9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.755 -29.910 11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.237 -29.929 12.092 1.00 0.00 H new ATOM 677 N GLN A 43 3.207 -27.115 12.239 1.00 0.00 N ATOM 678 CA GLN A 43 2.787 -26.666 13.561 1.00 0.00 C ATOM 679 C GLN A 43 2.982 -25.161 13.712 1.00 0.00 C ATOM 680 O GLN A 43 2.017 -24.397 13.713 1.00 0.00 O ATOM 681 CB GLN A 43 3.569 -27.406 14.647 1.00 0.00 C ATOM 682 CG GLN A 43 4.899 -27.965 14.166 1.00 0.00 C ATOM 683 CD GLN A 43 5.882 -28.190 15.297 1.00 0.00 C ATOM 684 OE1 GLN A 43 6.483 -27.245 15.810 1.00 0.00 O ATOM 685 NE2 GLN A 43 6.051 -29.446 15.694 1.00 0.00 N ATOM 0 H GLN A 43 4.190 -26.943 12.028 1.00 0.00 H new ATOM 0 HA GLN A 43 1.726 -26.889 13.673 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.750 -26.726 15.480 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.958 -28.223 15.030 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.726 -28.908 13.648 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.336 -27.278 13.441 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.532 -30.198 15.241 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.699 -29.658 16.452 1.00 0.00 H new ATOM 694 N TRP A 44 4.236 -24.743 13.841 1.00 0.00 N ATOM 695 CA TRP A 44 4.557 -23.328 13.993 1.00 0.00 C ATOM 696 C TRP A 44 5.141 -22.760 12.704 1.00 0.00 C ATOM 697 O TRP A 44 5.681 -23.498 11.879 1.00 0.00 O ATOM 698 CB TRP A 44 5.543 -23.130 15.145 1.00 0.00 C ATOM 699 CG TRP A 44 5.030 -23.634 16.460 1.00 0.00 C ATOM 700 CD1 TRP A 44 3.724 -23.728 16.849 1.00 0.00 C ATOM 701 CD2 TRP A 44 5.813 -24.113 17.559 1.00 0.00 C ATOM 702 NE1 TRP A 44 3.649 -24.236 18.123 1.00 0.00 N ATOM 703 CE2 TRP A 44 4.916 -24.481 18.581 1.00 0.00 C ATOM 704 CE3 TRP A 44 7.185 -24.268 17.779 1.00 0.00 C ATOM 705 CZ2 TRP A 44 5.348 -24.992 19.802 1.00 0.00 C ATOM 706 CZ3 TRP A 44 7.612 -24.776 18.991 1.00 0.00 C ATOM 707 CH2 TRP A 44 6.696 -25.133 19.990 1.00 0.00 C ATOM 0 H TRP A 44 5.046 -25.362 13.843 1.00 0.00 H new ATOM 0 HA TRP A 44 3.634 -22.793 14.217 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.476 -23.641 14.907 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.775 -22.069 15.236 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.875 -23.445 16.244 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.788 -24.404 18.644 1.00 0.00 H new ATOM 0 HE3 TRP A 44 7.898 -23.996 17.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.644 -25.267 20.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 8.670 -24.900 19.172 1.00 0.00 H new ATOM 0 HH2 TRP A 44 7.061 -25.527 20.927 1.00 0.00 H new ATOM 718 N TRP A 45 5.031 -21.448 12.538 1.00 0.00 N ATOM 719 CA TRP A 45 5.549 -20.782 11.348 1.00 0.00 C ATOM 720 C TRP A 45 6.653 -19.795 11.714 1.00 0.00 C ATOM 721 O TRP A 45 6.534 -19.050 12.686 1.00 0.00 O ATOM 722 CB TRP A 45 4.421 -20.055 10.613 1.00 0.00 C ATOM 723 CG TRP A 45 3.252 -20.939 10.297 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.265 -22.298 10.163 1.00 0.00 C ATOM 725 CD2 TRP A 45 1.900 -20.524 10.074 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.002 -22.753 9.870 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.147 -21.685 9.811 1.00 0.00 C ATOM 728 CE3 TRP A 45 1.253 -19.286 10.073 1.00 0.00 C ATOM 729 CZ2 TRP A 45 -0.220 -21.641 9.549 1.00 0.00 C ATOM 730 CZ3 TRP A 45 -0.104 -19.244 9.813 1.00 0.00 C ATOM 731 CH2 TRP A 45 -0.828 -20.415 9.554 1.00 0.00 C ATOM 0 H TRP A 45 4.588 -20.823 13.212 1.00 0.00 H new ATOM 0 HA TRP A 45 5.970 -21.543 10.691 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.080 -19.218 11.222 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.812 -19.636 9.686 1.00 0.00 H new ATOM 0 HD1 TRP A 45 4.139 -22.923 10.271 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.743 -23.728 9.721 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.803 -18.378 10.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.780 -22.542 9.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -0.615 -18.292 9.809 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.887 -20.349 9.354 1.00 0.00 H new ATOM 742 N TRP A 46 7.724 -19.795 10.928 1.00 0.00 N ATOM 743 CA TRP A 46 8.849 -18.899 11.170 1.00 0.00 C ATOM 744 C TRP A 46 8.569 -17.510 10.606 1.00 0.00 C ATOM 745 O TRP A 46 8.417 -17.341 9.397 1.00 0.00 O ATOM 746 CB TRP A 46 10.124 -19.469 10.548 1.00 0.00 C ATOM 747 CG TRP A 46 10.731 -20.580 11.350 1.00 0.00 C ATOM 748 CD1 TRP A 46 10.081 -21.659 11.878 1.00 0.00 C ATOM 749 CD2 TRP A 46 12.108 -20.720 11.716 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.971 -22.461 12.551 1.00 0.00 N ATOM 751 CE2 TRP A 46 12.222 -21.908 12.465 1.00 0.00 C ATOM 752 CE3 TRP A 46 13.257 -19.959 11.482 1.00 0.00 C ATOM 753 CZ2 TRP A 46 13.437 -22.349 12.981 1.00 0.00 C ATOM 754 CZ3 TRP A 46 14.462 -20.398 11.995 1.00 0.00 C ATOM 755 CH2 TRP A 46 14.545 -21.584 12.737 1.00 0.00 C ATOM 0 H TRP A 46 7.837 -20.405 10.118 1.00 0.00 H new ATOM 0 HA TRP A 46 8.987 -18.812 12.248 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.899 -19.835 9.546 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.855 -18.668 10.438 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.023 -21.853 11.781 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.738 -23.328 13.036 1.00 0.00 H new ATOM 0 HE3 TRP A 46 13.204 -19.044 10.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.503 -23.262 13.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 15.356 -19.817 11.821 1.00 0.00 H new ATOM 0 HH2 TRP A 46 15.502 -21.900 13.124 1.00 0.00 H new ATOM 766 N ALA A 47 8.503 -16.520 11.489 1.00 0.00 N ATOM 767 CA ALA A 47 8.244 -15.145 11.078 1.00 0.00 C ATOM 768 C ALA A 47 9.395 -14.227 11.475 1.00 0.00 C ATOM 769 O ALA A 47 10.130 -14.510 12.422 1.00 0.00 O ATOM 770 CB ALA A 47 6.939 -14.650 11.682 1.00 0.00 C ATOM 0 H ALA A 47 8.625 -16.644 12.494 1.00 0.00 H new ATOM 0 HA ALA A 47 8.158 -15.127 9.992 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.759 -13.622 11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.118 -15.283 11.344 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.003 -14.690 12.769 1.00 0.00 H new ATOM 776 N THR A 48 9.547 -13.127 10.745 1.00 0.00 N ATOM 777 CA THR A 48 10.610 -12.168 11.021 1.00 0.00 C ATOM 778 C THR A 48 10.042 -10.776 11.276 1.00 0.00 C ATOM 779 O THR A 48 9.143 -10.322 10.567 1.00 0.00 O ATOM 780 CB THR A 48 11.616 -12.094 9.856 1.00 0.00 C ATOM 781 OG1 THR A 48 11.800 -13.394 9.286 1.00 0.00 O ATOM 782 CG2 THR A 48 12.954 -11.548 10.331 1.00 0.00 C ATOM 0 H THR A 48 8.948 -12.878 9.958 1.00 0.00 H new ATOM 0 HA THR A 48 11.126 -12.517 11.916 1.00 0.00 H new ATOM 0 HB THR A 48 11.215 -11.420 9.099 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.439 -13.339 8.545 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.648 -11.505 9.492 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.814 -10.547 10.738 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.360 -12.201 11.104 1.00 0.00 H new ATOM 790 N LEU A 49 10.573 -10.103 12.291 1.00 0.00 N ATOM 791 CA LEU A 49 10.119 -8.761 12.639 1.00 0.00 C ATOM 792 C LEU A 49 10.932 -7.703 11.901 1.00 0.00 C ATOM 793 O LEU A 49 12.136 -7.564 12.121 1.00 0.00 O ATOM 794 CB LEU A 49 10.226 -8.541 14.149 1.00 0.00 C ATOM 795 CG LEU A 49 9.019 -7.885 14.819 1.00 0.00 C ATOM 796 CD1 LEU A 49 9.265 -7.709 16.310 1.00 0.00 C ATOM 797 CD2 LEU A 49 8.710 -6.545 14.167 1.00 0.00 C ATOM 0 H LEU A 49 11.318 -10.464 12.887 1.00 0.00 H new ATOM 0 HA LEU A 49 9.076 -8.667 12.337 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.400 -9.506 14.625 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.104 -7.926 14.345 1.00 0.00 H new ATOM 0 HG LEU A 49 8.156 -8.538 14.688 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.395 -7.240 16.770 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.437 -8.683 16.768 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.140 -7.077 16.462 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.848 -6.092 14.657 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.572 -5.885 14.266 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.489 -6.697 13.111 1.00 0.00 H new ATOM 809 N LEU A 50 10.267 -6.957 11.026 1.00 0.00 N ATOM 810 CA LEU A 50 10.927 -5.908 10.256 1.00 0.00 C ATOM 811 C LEU A 50 10.453 -4.528 10.699 1.00 0.00 C ATOM 812 O LEU A 50 9.410 -4.394 11.339 1.00 0.00 O ATOM 813 CB LEU A 50 10.656 -6.098 8.762 1.00 0.00 C ATOM 814 CG LEU A 50 10.267 -7.510 8.325 1.00 0.00 C ATOM 815 CD1 LEU A 50 9.943 -7.539 6.839 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.381 -8.495 8.648 1.00 0.00 C ATOM 0 H LEU A 50 9.271 -7.059 10.832 1.00 0.00 H new ATOM 0 HA LEU A 50 12.000 -5.979 10.436 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.858 -5.416 8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.548 -5.802 8.211 1.00 0.00 H new ATOM 0 HG LEU A 50 9.375 -7.807 8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.668 -8.552 6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.112 -6.864 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.817 -7.221 6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.086 -9.495 8.330 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.290 -8.201 8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.566 -8.496 9.722 1.00 0.00 H new ATOM 828 N ASP A 51 11.225 -3.504 10.352 1.00 0.00 N ATOM 829 CA ASP A 51 10.883 -2.132 10.711 1.00 0.00 C ATOM 830 C ASP A 51 9.838 -1.565 9.756 1.00 0.00 C ATOM 831 O ASP A 51 9.397 -2.245 8.829 1.00 0.00 O ATOM 832 CB ASP A 51 12.134 -1.252 10.698 1.00 0.00 C ATOM 833 CG ASP A 51 12.073 -0.144 11.730 1.00 0.00 C ATOM 834 OD1 ASP A 51 11.608 -0.409 12.859 1.00 0.00 O ATOM 835 OD2 ASP A 51 12.490 0.988 11.410 1.00 0.00 O ATOM 0 H ASP A 51 12.092 -3.598 9.823 1.00 0.00 H new ATOM 0 HA ASP A 51 10.464 -2.140 11.717 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.012 -1.871 10.885 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.257 -0.815 9.707 1.00 0.00 H new ATOM 840 N GLU A 52 9.445 -0.317 9.989 1.00 0.00 N ATOM 841 CA GLU A 52 8.449 0.340 9.150 1.00 0.00 C ATOM 842 C GLU A 52 8.910 0.388 7.696 1.00 0.00 C ATOM 843 O GLU A 52 8.093 0.414 6.776 1.00 0.00 O ATOM 844 CB GLU A 52 8.177 1.757 9.658 1.00 0.00 C ATOM 845 CG GLU A 52 9.415 2.637 9.700 1.00 0.00 C ATOM 846 CD GLU A 52 9.128 4.022 10.246 1.00 0.00 C ATOM 847 OE1 GLU A 52 7.959 4.456 10.181 1.00 0.00 O ATOM 848 OE2 GLU A 52 10.074 4.672 10.740 1.00 0.00 O ATOM 0 H GLU A 52 9.801 0.260 10.751 1.00 0.00 H new ATOM 0 HA GLU A 52 7.527 -0.239 9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.430 2.226 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.749 1.699 10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.176 2.158 10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.828 2.725 8.695 1.00 0.00 H new ATOM 855 N ALA A 53 10.224 0.401 7.498 1.00 0.00 N ATOM 856 CA ALA A 53 10.794 0.445 6.157 1.00 0.00 C ATOM 857 C ALA A 53 10.837 -0.945 5.533 1.00 0.00 C ATOM 858 O ALA A 53 10.962 -1.087 4.317 1.00 0.00 O ATOM 859 CB ALA A 53 12.188 1.052 6.196 1.00 0.00 C ATOM 0 H ALA A 53 10.914 0.382 8.249 1.00 0.00 H new ATOM 0 HA ALA A 53 10.154 1.073 5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.602 1.079 5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.132 2.066 6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.830 0.447 6.836 1.00 0.00 H new ATOM 865 N GLY A 54 10.733 -1.970 6.374 1.00 0.00 N ATOM 866 CA GLY A 54 10.764 -3.336 5.885 1.00 0.00 C ATOM 867 C GLY A 54 12.058 -4.047 6.231 1.00 0.00 C ATOM 868 O GLY A 54 12.165 -5.263 6.081 1.00 0.00 O ATOM 0 H GLY A 54 10.628 -1.879 7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.925 -3.889 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.632 -3.334 4.803 1.00 0.00 H new ATOM 872 N GLY A 55 13.044 -3.285 6.694 1.00 0.00 N ATOM 873 CA GLY A 55 14.325 -3.866 7.052 1.00 0.00 C ATOM 874 C GLY A 55 14.231 -4.774 8.262 1.00 0.00 C ATOM 875 O GLY A 55 13.964 -4.314 9.372 1.00 0.00 O ATOM 0 H GLY A 55 12.979 -2.276 6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.713 -4.433 6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.039 -3.068 7.255 1.00 0.00 H new ATOM 879 N ALA A 56 14.449 -6.067 8.048 1.00 0.00 N ATOM 880 CA ALA A 56 14.388 -7.042 9.131 1.00 0.00 C ATOM 881 C ALA A 56 15.299 -6.638 10.285 1.00 0.00 C ATOM 882 O ALA A 56 16.443 -6.235 10.074 1.00 0.00 O ATOM 883 CB ALA A 56 14.763 -8.424 8.618 1.00 0.00 C ATOM 0 H ALA A 56 14.669 -6.464 7.135 1.00 0.00 H new ATOM 0 HA ALA A 56 13.364 -7.071 9.504 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.713 -9.142 9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.069 -8.721 7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.776 -8.401 8.217 1.00 0.00 H new ATOM 889 N VAL A 57 14.784 -6.748 11.505 1.00 0.00 N ATOM 890 CA VAL A 57 15.552 -6.395 12.694 1.00 0.00 C ATOM 891 C VAL A 57 15.665 -7.579 13.647 1.00 0.00 C ATOM 892 O VAL A 57 16.739 -7.862 14.176 1.00 0.00 O ATOM 893 CB VAL A 57 14.915 -5.208 13.441 1.00 0.00 C ATOM 894 CG1 VAL A 57 15.441 -3.889 12.895 1.00 0.00 C ATOM 895 CG2 VAL A 57 13.398 -5.268 13.341 1.00 0.00 C ATOM 0 H VAL A 57 13.838 -7.079 11.697 1.00 0.00 H new ATOM 0 HA VAL A 57 16.548 -6.110 12.355 1.00 0.00 H new ATOM 0 HB VAL A 57 15.190 -5.274 14.494 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.980 -3.062 13.435 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.523 -3.848 13.023 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.198 -3.811 11.835 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.964 -4.422 13.874 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.101 -5.227 12.293 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.041 -6.198 13.784 1.00 0.00 H new ATOM 905 N ALA A 58 14.549 -8.269 13.861 1.00 0.00 N ATOM 906 CA ALA A 58 14.524 -9.425 14.748 1.00 0.00 C ATOM 907 C ALA A 58 13.801 -10.600 14.099 1.00 0.00 C ATOM 908 O ALA A 58 13.184 -10.454 13.044 1.00 0.00 O ATOM 909 CB ALA A 58 13.863 -9.061 16.070 1.00 0.00 C ATOM 0 H ALA A 58 13.651 -8.047 13.432 1.00 0.00 H new ATOM 0 HA ALA A 58 15.554 -9.727 14.940 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.851 -9.934 16.723 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.424 -8.258 16.548 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.841 -8.731 15.887 1.00 0.00 H new ATOM 915 N GLN A 59 13.881 -11.764 14.736 1.00 0.00 N ATOM 916 CA GLN A 59 13.235 -12.964 14.218 1.00 0.00 C ATOM 917 C GLN A 59 12.472 -13.690 15.321 1.00 0.00 C ATOM 918 O GLN A 59 12.985 -13.878 16.424 1.00 0.00 O ATOM 919 CB GLN A 59 14.273 -13.900 13.597 1.00 0.00 C ATOM 920 CG GLN A 59 15.272 -13.190 12.698 1.00 0.00 C ATOM 921 CD GLN A 59 15.610 -13.990 11.455 1.00 0.00 C ATOM 922 OE1 GLN A 59 14.946 -13.868 10.425 1.00 0.00 O ATOM 923 NE2 GLN A 59 16.647 -14.814 11.545 1.00 0.00 N ATOM 0 H GLN A 59 14.387 -11.901 15.611 1.00 0.00 H new ATOM 0 HA GLN A 59 12.524 -12.661 13.449 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.813 -14.410 14.395 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.758 -14.668 13.019 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.866 -12.222 12.403 1.00 0.00 H new ATOM 0 HG3 GLN A 59 16.186 -12.995 13.259 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.169 -14.883 12.419 1.00 0.00 H new ATOM 0 HE22 GLN A 59 16.922 -15.378 10.741 1.00 0.00 H new ATOM 932 N GLY A 60 11.244 -14.097 15.016 1.00 0.00 N ATOM 933 CA GLY A 60 10.430 -14.798 15.992 1.00 0.00 C ATOM 934 C GLY A 60 9.203 -15.436 15.373 1.00 0.00 C ATOM 935 O GLY A 60 8.591 -14.871 14.466 1.00 0.00 O ATOM 0 H GLY A 60 10.798 -13.954 14.110 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.031 -15.568 16.476 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.120 -14.100 16.770 1.00 0.00 H new ATOM 939 N TYR A 61 8.842 -16.617 15.861 1.00 0.00 N ATOM 940 CA TYR A 61 7.682 -17.335 15.347 1.00 0.00 C ATOM 941 C TYR A 61 6.470 -17.129 16.250 1.00 0.00 C ATOM 942 O TYR A 61 6.605 -16.760 17.417 1.00 0.00 O ATOM 943 CB TYR A 61 7.993 -18.828 15.225 1.00 0.00 C ATOM 944 CG TYR A 61 8.447 -19.460 16.521 1.00 0.00 C ATOM 945 CD1 TYR A 61 7.541 -19.732 17.539 1.00 0.00 C ATOM 946 CD2 TYR A 61 9.782 -19.784 16.728 1.00 0.00 C ATOM 947 CE1 TYR A 61 7.952 -20.309 18.725 1.00 0.00 C ATOM 948 CE2 TYR A 61 10.202 -20.362 17.911 1.00 0.00 C ATOM 949 CZ TYR A 61 9.283 -20.622 18.906 1.00 0.00 C ATOM 950 OH TYR A 61 9.697 -21.197 20.086 1.00 0.00 O ATOM 0 H TYR A 61 9.336 -17.098 16.613 1.00 0.00 H new ATOM 0 HA TYR A 61 7.449 -16.937 14.359 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.104 -19.348 14.869 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.768 -18.969 14.471 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.498 -19.488 17.401 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.504 -19.581 15.951 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.235 -20.514 19.506 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.244 -20.609 18.055 1.00 0.00 H new ATOM 0 HH TYR A 61 10.595 -21.571 19.970 1.00 0.00 H new ATOM 960 N VAL A 62 5.283 -17.369 15.701 1.00 0.00 N ATOM 961 CA VAL A 62 4.046 -17.212 16.455 1.00 0.00 C ATOM 962 C VAL A 62 2.953 -18.129 15.917 1.00 0.00 C ATOM 963 O VAL A 62 2.973 -18.546 14.758 1.00 0.00 O ATOM 964 CB VAL A 62 3.544 -15.756 16.414 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.350 -14.887 17.367 1.00 0.00 C ATOM 966 CG2 VAL A 62 3.611 -15.210 14.995 1.00 0.00 C ATOM 0 H VAL A 62 5.153 -17.673 14.736 1.00 0.00 H new ATOM 0 HA VAL A 62 4.269 -17.483 17.487 1.00 0.00 H new ATOM 0 HB VAL A 62 2.503 -15.739 16.737 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.981 -13.862 17.325 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.246 -15.268 18.383 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.401 -14.907 17.077 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.253 -14.181 14.984 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.642 -15.239 14.642 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.986 -15.819 14.341 1.00 0.00 H new ATOM 976 N PRO A 63 1.976 -18.453 16.776 1.00 0.00 N ATOM 977 CA PRO A 63 0.855 -19.324 16.409 1.00 0.00 C ATOM 978 C PRO A 63 -0.098 -18.657 15.422 1.00 0.00 C ATOM 979 O PRO A 63 -0.323 -17.448 15.481 1.00 0.00 O ATOM 980 CB PRO A 63 0.151 -19.578 17.744 1.00 0.00 C ATOM 981 CG PRO A 63 0.502 -18.401 18.587 1.00 0.00 C ATOM 982 CD PRO A 63 1.888 -17.992 18.172 1.00 0.00 C ATOM 0 HA PRO A 63 1.191 -20.233 15.910 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.928 -19.663 17.613 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.491 -20.508 18.200 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.207 -17.587 18.435 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.471 -18.657 19.646 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.029 -16.914 18.249 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.649 -18.458 18.798 1.00 0.00 H new ATOM 990 N HIS A 64 -0.657 -19.454 14.516 1.00 0.00 N ATOM 991 CA HIS A 64 -1.587 -18.940 13.517 1.00 0.00 C ATOM 992 C HIS A 64 -2.754 -18.217 14.183 1.00 0.00 C ATOM 993 O HIS A 64 -3.374 -17.338 13.586 1.00 0.00 O ATOM 994 CB HIS A 64 -2.110 -20.081 12.643 1.00 0.00 C ATOM 995 CG HIS A 64 -3.131 -19.645 11.638 1.00 0.00 C ATOM 996 ND1 HIS A 64 -2.991 -18.511 10.866 1.00 0.00 N ATOM 997 CD2 HIS A 64 -4.313 -20.199 11.279 1.00 0.00 C ATOM 998 CE1 HIS A 64 -4.043 -18.385 10.077 1.00 0.00 C ATOM 999 NE2 HIS A 64 -4.860 -19.397 10.307 1.00 0.00 N ATOM 0 H HIS A 64 -0.482 -20.457 14.453 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.052 -18.227 12.889 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.271 -20.541 12.121 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.546 -20.848 13.283 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.745 -21.103 11.682 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.207 -17.590 9.365 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.752 -19.557 9.839 1.00 0.00 H new ATOM 1007 N ASN A 65 -3.049 -18.594 15.423 1.00 0.00 N ATOM 1008 CA ASN A 65 -4.142 -17.983 16.169 1.00 0.00 C ATOM 1009 C ASN A 65 -3.845 -16.516 16.466 1.00 0.00 C ATOM 1010 O ASN A 65 -4.751 -15.733 16.750 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.383 -18.741 17.476 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.341 -18.013 18.399 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -5.035 -17.777 19.568 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -6.508 -17.654 17.876 1.00 0.00 N ATOM 0 H ASN A 65 -2.546 -19.320 15.932 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.041 -18.036 15.555 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.781 -19.730 17.251 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.432 -18.889 17.988 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.194 -17.162 18.449 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.719 -17.871 16.902 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.569 -16.152 16.399 1.00 0.00 N ATOM 1022 CA TYR A 66 -2.151 -14.780 16.662 1.00 0.00 C ATOM 1023 C TYR A 66 -1.938 -14.015 15.359 1.00 0.00 C ATOM 1024 O TYR A 66 -2.542 -12.965 15.136 1.00 0.00 O ATOM 1025 CB TYR A 66 -0.865 -14.767 17.490 1.00 0.00 C ATOM 1026 CG TYR A 66 -0.846 -13.702 18.563 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -1.775 -13.712 19.596 1.00 0.00 C ATOM 1028 CD2 TYR A 66 0.102 -12.687 18.545 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -1.762 -12.741 20.578 1.00 0.00 C ATOM 1030 CE2 TYR A 66 0.124 -11.712 19.524 1.00 0.00 C ATOM 1031 CZ TYR A 66 -0.811 -11.743 20.538 1.00 0.00 C ATOM 1032 OH TYR A 66 -0.794 -10.774 21.515 1.00 0.00 O ATOM 0 H TYR A 66 -1.807 -16.788 16.165 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.944 -14.287 17.225 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.733 -15.743 17.957 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.016 -14.615 16.824 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.520 -14.493 19.632 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.835 -12.659 17.752 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.493 -12.763 21.373 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.869 -10.930 19.496 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.347 -11.062 22.271 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.076 -14.550 14.502 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.783 -13.919 13.219 1.00 0.00 C ATOM 1044 C LEU A 67 -1.689 -14.469 12.122 1.00 0.00 C ATOM 1045 O LEU A 67 -1.970 -15.667 12.078 1.00 0.00 O ATOM 1046 CB LEU A 67 0.683 -14.140 12.844 1.00 0.00 C ATOM 1047 CG LEU A 67 1.409 -12.938 12.238 1.00 0.00 C ATOM 1048 CD1 LEU A 67 0.660 -12.420 11.020 1.00 0.00 C ATOM 1049 CD2 LEU A 67 1.573 -11.836 13.274 1.00 0.00 C ATOM 0 H LEU A 67 -0.568 -15.418 14.671 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.970 -12.850 13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.223 -14.452 13.738 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.735 -14.966 12.135 1.00 0.00 H new ATOM 0 HG LEU A 67 2.400 -13.260 11.919 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.192 -11.565 10.603 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.595 -13.208 10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.345 -12.115 11.313 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.092 -10.989 12.825 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.591 -11.517 13.624 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.154 -12.212 14.116 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.141 -13.587 11.237 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.011 -13.985 10.138 1.00 0.00 C ATOM 1063 C ALA A 68 -2.803 -13.089 8.921 1.00 0.00 C ATOM 1064 O ALA A 68 -2.509 -11.902 9.056 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.467 -13.950 10.578 1.00 0.00 C ATOM 0 H ALA A 68 -1.919 -12.592 11.260 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.753 -15.005 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.106 -14.250 9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.612 -14.636 11.412 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.729 -12.939 10.890 1.00 0.00 H new ATOM 1071 N GLU A 69 -2.956 -13.667 7.734 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.783 -12.920 6.493 1.00 0.00 C ATOM 1073 C GLU A 69 -3.878 -11.869 6.334 1.00 0.00 C ATOM 1074 O GLU A 69 -4.939 -11.964 6.951 1.00 0.00 O ATOM 1075 CB GLU A 69 -2.794 -13.870 5.294 1.00 0.00 C ATOM 1076 CG GLU A 69 -4.177 -14.391 4.943 1.00 0.00 C ATOM 1077 CD GLU A 69 -4.129 -15.654 4.105 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -3.147 -15.832 3.355 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -5.074 -16.465 4.201 1.00 0.00 O ATOM 0 H GLU A 69 -3.199 -14.649 7.605 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.819 -12.412 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.379 -13.354 4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.139 -14.715 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.730 -14.589 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.725 -13.620 4.401 1.00 0.00 H new ATOM 1086 N ARG A 70 -3.612 -10.868 5.502 1.00 0.00 N ATOM 1087 CA ARG A 70 -4.573 -9.798 5.262 1.00 0.00 C ATOM 1088 C ARG A 70 -4.774 -9.573 3.766 1.00 0.00 C ATOM 1089 O ARG A 70 -4.425 -8.520 3.234 1.00 0.00 O ATOM 1090 CB ARG A 70 -4.101 -8.502 5.924 1.00 0.00 C ATOM 1091 CG ARG A 70 -4.514 -8.377 7.381 1.00 0.00 C ATOM 1092 CD ARG A 70 -4.873 -6.942 7.737 1.00 0.00 C ATOM 1093 NE ARG A 70 -5.506 -6.846 9.050 1.00 0.00 N ATOM 1094 CZ ARG A 70 -6.787 -7.121 9.270 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -7.567 -7.507 8.269 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -7.290 -7.010 10.492 1.00 0.00 N ATOM 0 H ARG A 70 -2.739 -10.775 4.983 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.526 -10.095 5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.015 -8.444 5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.500 -7.654 5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.368 -9.026 7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.701 -8.720 8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.972 -6.329 7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.545 -6.538 6.980 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.933 -6.552 9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.184 -7.593 7.328 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.550 -7.718 8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.693 -6.713 11.264 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.274 -7.221 10.660 1.00 0.00 H new ATOM 1110 N GLU A 71 -5.340 -10.571 3.094 1.00 0.00 N ATOM 1111 CA GLU A 71 -5.587 -10.482 1.660 1.00 0.00 C ATOM 1112 C GLU A 71 -6.596 -9.381 1.349 1.00 0.00 C ATOM 1113 O GLU A 71 -7.670 -9.319 1.948 1.00 0.00 O ATOM 1114 CB GLU A 71 -6.095 -11.822 1.123 1.00 0.00 C ATOM 1115 CG GLU A 71 -5.033 -12.908 1.091 1.00 0.00 C ATOM 1116 CD GLU A 71 -5.613 -14.284 0.825 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -6.179 -14.881 1.764 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -5.499 -14.763 -0.323 1.00 0.00 O ATOM 0 H GLU A 71 -5.636 -11.450 3.520 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.645 -10.236 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.928 -12.159 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.484 -11.676 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.300 -12.672 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.502 -12.920 2.043 1.00 0.00 H new ATOM 1125 N THR A 72 -6.244 -8.512 0.406 1.00 0.00 N ATOM 1126 CA THR A 72 -7.116 -7.412 0.016 1.00 0.00 C ATOM 1127 C THR A 72 -8.155 -7.869 -1.003 1.00 0.00 C ATOM 1128 O THR A 72 -9.229 -7.278 -1.118 1.00 0.00 O ATOM 1129 CB THR A 72 -6.312 -6.241 -0.578 1.00 0.00 C ATOM 1130 OG1 THR A 72 -5.224 -6.741 -1.363 1.00 0.00 O ATOM 1131 CG2 THR A 72 -5.776 -5.338 0.523 1.00 0.00 C ATOM 0 H THR A 72 -5.360 -8.549 -0.102 1.00 0.00 H new ATOM 0 HA THR A 72 -7.622 -7.074 0.920 1.00 0.00 H new ATOM 0 HB THR A 72 -6.979 -5.657 -1.212 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.719 -5.990 -1.738 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.212 -4.518 0.079 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.608 -4.935 1.100 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.124 -5.913 1.180 1.00 0.00 H new TER 1139 THR A 72