USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 753 hydrogens (25 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 -161:sc= -0.159 (180deg=-0.678) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.282 (180deg=-0.472) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= 1.06 (180deg=0.457) USER MOD Single : A 13 TYR OH : rot 134:sc= -0.613 USER MOD Single : A 15 MET CE :methyl -174:sc=-0.00222 (180deg=-0.0653) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 32 THR OG1 : rot -156:sc= -0.04 USER MOD Single : A 41 ASN : amide:sc= -0.0681 X(o=-0.068,f=-0.32) USER MOD Single : A 43 MET CE :methyl 163:sc= -0.19 (180deg=-1.03) USER MOD Single : A 44 ASN : amide:sc= -0.91 K(o=-0.91,f=-12!) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 0.652 (180deg=0.529) USER MOD Single : A 49 MET CE :methyl -156:sc= -4.54! (180deg=-5.07!) USER MOD Single : A 51 TYR OH : rot 150:sc= 0 USER MOD Single : A 56 MET CE :methyl -148:sc= -2.66! (180deg=-3.03!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -34:sc= 0.067 USER MOD Single : A 64 HIS : no HE2:sc= -1.29 X(o=-1.3,f=-1.4) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= -0.0132 (180deg=-0.116) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.762 K(o=0.76,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -111:sc= 1.24 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.745 F(o=-3.2!,f=-0.75) USER MOD Single : A 84 LYS NZ :NH3+ -124:sc= 0.332 (180deg=0.249) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.495 14.480 -4.845 1.00 73.54 N ATOM 2 CA MET A 1 6.517 15.173 -3.550 1.00 71.33 C ATOM 3 C MET A 1 5.097 15.529 -3.072 1.00 21.14 C ATOM 4 O MET A 1 4.954 16.085 -1.976 1.00 62.43 O ATOM 5 CB MET A 1 7.397 16.452 -3.621 1.00 43.14 C ATOM 6 CG MET A 1 6.873 17.565 -4.560 1.00 51.23 C ATOM 7 SD MET A 1 7.883 19.070 -4.512 1.00 34.11 S ATOM 8 CE MET A 1 7.758 19.549 -2.788 1.00 71.12 C ATOM 0 H1 MET A 1 7.454 14.466 -5.248 1.00 73.54 H new ATOM 0 H2 MET A 1 6.162 13.504 -4.711 1.00 73.54 H new ATOM 0 H3 MET A 1 5.854 14.978 -5.495 1.00 73.54 H new ATOM 0 HA MET A 1 6.954 14.487 -2.824 1.00 71.33 H new ATOM 0 HB2 MET A 1 7.493 16.863 -2.616 1.00 43.14 H new ATOM 0 HB3 MET A 1 8.398 16.167 -3.946 1.00 43.14 H new ATOM 0 HG2 MET A 1 6.844 17.186 -5.582 1.00 51.23 H new ATOM 0 HG3 MET A 1 5.848 17.813 -4.283 1.00 51.23 H new ATOM 0 HE1 MET A 1 8.030 20.599 -2.682 1.00 71.12 H new ATOM 0 HE2 MET A 1 6.735 19.402 -2.443 1.00 71.12 H new ATOM 0 HE3 MET A 1 8.434 18.937 -2.190 1.00 71.12 H new ATOM 20 N ASP A 2 4.046 15.254 -3.891 1.00 23.11 N ATOM 21 CA ASP A 2 2.634 15.476 -3.474 1.00 4.43 C ATOM 22 C ASP A 2 1.985 14.140 -3.061 1.00 4.11 C ATOM 23 O ASP A 2 2.523 13.061 -3.349 1.00 12.51 O ATOM 24 CB ASP A 2 1.810 16.198 -4.595 1.00 63.15 C ATOM 25 CG ASP A 2 1.377 15.291 -5.764 1.00 4.32 C ATOM 26 OD1 ASP A 2 2.145 15.124 -6.728 1.00 52.42 O ATOM 27 OD2 ASP A 2 0.260 14.739 -5.719 1.00 41.23 O ATOM 0 H ASP A 2 4.148 14.882 -4.835 1.00 23.11 H new ATOM 0 HA ASP A 2 2.632 16.137 -2.608 1.00 4.43 H new ATOM 0 HB2 ASP A 2 0.920 16.638 -4.146 1.00 63.15 H new ATOM 0 HB3 ASP A 2 2.406 17.020 -4.992 1.00 63.15 H new ATOM 32 N GLY A 3 0.805 14.235 -2.435 1.00 12.23 N ATOM 33 CA GLY A 3 0.142 13.089 -1.820 1.00 62.31 C ATOM 34 C GLY A 3 -0.488 12.122 -2.810 1.00 23.03 C ATOM 35 O GLY A 3 -0.686 10.953 -2.494 1.00 3.32 O ATOM 0 H GLY A 3 0.288 15.109 -2.343 1.00 12.23 H new ATOM 0 HA2 GLY A 3 0.868 12.547 -1.213 1.00 62.31 H new ATOM 0 HA3 GLY A 3 -0.631 13.452 -1.143 1.00 62.31 H new ATOM 39 N GLU A 4 -0.820 12.593 -4.011 1.00 75.32 N ATOM 40 CA GLU A 4 -1.406 11.728 -5.057 1.00 51.34 C ATOM 41 C GLU A 4 -0.308 11.027 -5.872 1.00 40.04 C ATOM 42 O GLU A 4 -0.538 9.953 -6.451 1.00 52.24 O ATOM 43 CB GLU A 4 -2.366 12.551 -5.941 1.00 53.31 C ATOM 44 CG GLU A 4 -3.508 13.197 -5.129 1.00 72.33 C ATOM 45 CD GLU A 4 -4.456 14.052 -5.976 1.00 42.44 C ATOM 46 OE1 GLU A 4 -4.181 15.255 -6.168 1.00 43.22 O ATOM 47 OE2 GLU A 4 -5.496 13.534 -6.435 1.00 61.04 O ATOM 0 H GLU A 4 -0.697 13.566 -4.292 1.00 75.32 H new ATOM 0 HA GLU A 4 -1.989 10.938 -4.585 1.00 51.34 H new ATOM 0 HB2 GLU A 4 -1.804 13.331 -6.455 1.00 53.31 H new ATOM 0 HB3 GLU A 4 -2.791 11.905 -6.710 1.00 53.31 H new ATOM 0 HG2 GLU A 4 -4.082 12.412 -4.637 1.00 72.33 H new ATOM 0 HG3 GLU A 4 -3.078 13.817 -4.343 1.00 72.33 H new ATOM 54 N GLU A 5 0.899 11.627 -5.869 1.00 75.54 N ATOM 55 CA GLU A 5 2.096 11.012 -6.453 1.00 72.01 C ATOM 56 C GLU A 5 2.523 9.793 -5.628 1.00 1.05 C ATOM 57 O GLU A 5 2.850 8.754 -6.184 1.00 3.35 O ATOM 58 CB GLU A 5 3.281 12.009 -6.516 1.00 33.00 C ATOM 59 CG GLU A 5 4.553 11.429 -7.174 1.00 70.43 C ATOM 60 CD GLU A 5 5.821 12.214 -6.833 1.00 54.21 C ATOM 61 OE1 GLU A 5 6.091 13.243 -7.491 1.00 21.01 O ATOM 62 OE2 GLU A 5 6.524 11.846 -5.860 1.00 44.13 O ATOM 0 H GLU A 5 1.066 12.547 -5.462 1.00 75.54 H new ATOM 0 HA GLU A 5 1.839 10.709 -7.468 1.00 72.01 H new ATOM 0 HB2 GLU A 5 2.969 12.895 -7.070 1.00 33.00 H new ATOM 0 HB3 GLU A 5 3.523 12.335 -5.504 1.00 33.00 H new ATOM 0 HG2 GLU A 5 4.678 10.394 -6.857 1.00 70.43 H new ATOM 0 HG3 GLU A 5 4.421 11.417 -8.256 1.00 70.43 H new ATOM 69 N VAL A 6 2.516 9.924 -4.287 1.00 12.52 N ATOM 70 CA VAL A 6 2.981 8.827 -3.415 1.00 45.32 C ATOM 71 C VAL A 6 2.086 7.593 -3.575 1.00 4.32 C ATOM 72 O VAL A 6 2.576 6.472 -3.510 1.00 74.50 O ATOM 73 CB VAL A 6 3.095 9.226 -1.901 1.00 43.20 C ATOM 74 CG1 VAL A 6 3.979 10.475 -1.723 1.00 61.52 C ATOM 75 CG2 VAL A 6 1.717 9.420 -1.223 1.00 11.31 C ATOM 0 H VAL A 6 2.201 10.759 -3.792 1.00 12.52 H new ATOM 0 HA VAL A 6 3.993 8.592 -3.745 1.00 45.32 H new ATOM 0 HB VAL A 6 3.573 8.387 -1.396 1.00 43.20 H new ATOM 0 HG11 VAL A 6 4.041 10.729 -0.665 1.00 61.52 H new ATOM 0 HG12 VAL A 6 4.979 10.271 -2.106 1.00 61.52 H new ATOM 0 HG13 VAL A 6 3.544 11.310 -2.272 1.00 61.52 H new ATOM 0 HG21 VAL A 6 1.861 9.695 -0.178 1.00 11.31 H new ATOM 0 HG22 VAL A 6 1.168 10.211 -1.734 1.00 11.31 H new ATOM 0 HG23 VAL A 6 1.150 8.491 -1.279 1.00 11.31 H new ATOM 85 N LYS A 7 0.796 7.845 -3.862 1.00 32.15 N ATOM 86 CA LYS A 7 -0.202 6.788 -4.050 1.00 62.41 C ATOM 87 C LYS A 7 0.111 5.927 -5.280 1.00 42.04 C ATOM 88 O LYS A 7 0.117 4.693 -5.189 1.00 54.41 O ATOM 89 CB LYS A 7 -1.619 7.385 -4.166 1.00 62.13 C ATOM 90 CG LYS A 7 -2.146 8.089 -2.902 1.00 41.21 C ATOM 91 CD LYS A 7 -3.656 8.410 -3.008 1.00 1.23 C ATOM 92 CE LYS A 7 -4.028 9.205 -4.272 1.00 74.45 C ATOM 93 NZ LYS A 7 -5.491 9.441 -4.372 1.00 23.43 N ATOM 0 H LYS A 7 0.421 8.788 -3.969 1.00 32.15 H new ATOM 0 HA LYS A 7 -0.162 6.146 -3.170 1.00 62.41 H new ATOM 0 HB2 LYS A 7 -1.627 8.099 -4.989 1.00 62.13 H new ATOM 0 HB3 LYS A 7 -2.311 6.585 -4.431 1.00 62.13 H new ATOM 0 HG2 LYS A 7 -1.970 7.455 -2.033 1.00 41.21 H new ATOM 0 HG3 LYS A 7 -1.589 9.012 -2.741 1.00 41.21 H new ATOM 0 HD2 LYS A 7 -4.219 7.477 -2.997 1.00 1.23 H new ATOM 0 HD3 LYS A 7 -3.961 8.977 -2.129 1.00 1.23 H new ATOM 0 HE2 LYS A 7 -3.506 10.162 -4.265 1.00 74.45 H new ATOM 0 HE3 LYS A 7 -3.687 8.663 -5.154 1.00 74.45 H new ATOM 0 HZ1 LYS A 7 -5.697 9.980 -5.237 1.00 23.43 H new ATOM 0 HZ2 LYS A 7 -5.988 8.528 -4.405 1.00 23.43 H new ATOM 0 HZ3 LYS A 7 -5.813 9.981 -3.543 1.00 23.43 H new ATOM 107 N GLU A 8 0.372 6.579 -6.433 1.00 42.12 N ATOM 108 CA GLU A 8 0.729 5.854 -7.667 1.00 14.23 C ATOM 109 C GLU A 8 2.057 5.099 -7.466 1.00 0.43 C ATOM 110 O GLU A 8 2.201 3.990 -7.959 1.00 55.34 O ATOM 111 CB GLU A 8 0.802 6.794 -8.902 1.00 4.42 C ATOM 112 CG GLU A 8 1.951 7.816 -8.886 1.00 54.41 C ATOM 113 CD GLU A 8 2.058 8.672 -10.154 1.00 40.45 C ATOM 114 OE1 GLU A 8 2.579 8.171 -11.175 1.00 3.13 O ATOM 115 OE2 GLU A 8 1.599 9.835 -10.150 1.00 40.30 O ATOM 0 H GLU A 8 0.342 7.594 -6.533 1.00 42.12 H new ATOM 0 HA GLU A 8 -0.063 5.134 -7.872 1.00 14.23 H new ATOM 0 HB2 GLU A 8 0.896 6.181 -9.799 1.00 4.42 H new ATOM 0 HB3 GLU A 8 -0.141 7.334 -8.982 1.00 4.42 H new ATOM 0 HG2 GLU A 8 1.822 8.475 -8.028 1.00 54.41 H new ATOM 0 HG3 GLU A 8 2.891 7.284 -8.741 1.00 54.41 H new ATOM 122 N LYS A 9 2.983 5.694 -6.683 1.00 53.11 N ATOM 123 CA LYS A 9 4.293 5.080 -6.386 1.00 71.33 C ATOM 124 C LYS A 9 4.167 3.857 -5.468 1.00 61.33 C ATOM 125 O LYS A 9 5.074 3.033 -5.438 1.00 14.14 O ATOM 126 CB LYS A 9 5.275 6.103 -5.776 1.00 35.10 C ATOM 127 CG LYS A 9 5.617 7.294 -6.694 1.00 21.44 C ATOM 128 CD LYS A 9 6.737 8.187 -6.113 1.00 1.42 C ATOM 129 CE LYS A 9 6.487 8.626 -4.659 1.00 51.31 C ATOM 130 NZ LYS A 9 7.542 9.553 -4.174 1.00 51.41 N ATOM 0 H LYS A 9 2.845 6.604 -6.244 1.00 53.11 H new ATOM 0 HA LYS A 9 4.694 4.741 -7.341 1.00 71.33 H new ATOM 0 HB2 LYS A 9 4.849 6.487 -4.849 1.00 35.10 H new ATOM 0 HB3 LYS A 9 6.199 5.587 -5.513 1.00 35.10 H new ATOM 0 HG2 LYS A 9 5.925 6.919 -7.670 1.00 21.44 H new ATOM 0 HG3 LYS A 9 4.722 7.896 -6.852 1.00 21.44 H new ATOM 0 HD2 LYS A 9 7.683 7.647 -6.163 1.00 1.42 H new ATOM 0 HD3 LYS A 9 6.843 9.074 -6.738 1.00 1.42 H new ATOM 0 HE2 LYS A 9 5.514 9.113 -4.588 1.00 51.31 H new ATOM 0 HE3 LYS A 9 6.451 7.747 -4.015 1.00 51.31 H new ATOM 0 HZ1 LYS A 9 7.626 9.473 -3.140 1.00 51.41 H new ATOM 0 HZ2 LYS A 9 8.451 9.306 -4.615 1.00 51.41 H new ATOM 0 HZ3 LYS A 9 7.289 10.530 -4.426 1.00 51.41 H new ATOM 144 N ILE A 10 3.058 3.754 -4.713 1.00 10.22 N ATOM 145 CA ILE A 10 2.738 2.518 -3.971 1.00 63.43 C ATOM 146 C ILE A 10 2.434 1.414 -4.984 1.00 60.14 C ATOM 147 O ILE A 10 3.039 0.351 -4.952 1.00 14.34 O ATOM 148 CB ILE A 10 1.511 2.692 -2.995 1.00 61.20 C ATOM 149 CG1 ILE A 10 1.732 3.870 -2.002 1.00 53.51 C ATOM 150 CG2 ILE A 10 1.209 1.384 -2.230 1.00 42.25 C ATOM 151 CD1 ILE A 10 3.011 3.794 -1.176 1.00 60.20 C ATOM 0 H ILE A 10 2.374 4.502 -4.600 1.00 10.22 H new ATOM 0 HA ILE A 10 3.598 2.263 -3.352 1.00 63.43 H new ATOM 0 HB ILE A 10 0.644 2.931 -3.611 1.00 61.20 H new ATOM 0 HG12 ILE A 10 1.738 4.803 -2.566 1.00 53.51 H new ATOM 0 HG13 ILE A 10 0.882 3.914 -1.322 1.00 53.51 H new ATOM 0 HG21 ILE A 10 0.358 1.539 -1.566 1.00 42.25 H new ATOM 0 HG22 ILE A 10 0.975 0.592 -2.942 1.00 42.25 H new ATOM 0 HG23 ILE A 10 2.081 1.097 -1.642 1.00 42.25 H new ATOM 0 HD11 ILE A 10 3.070 4.660 -0.517 1.00 60.20 H new ATOM 0 HD12 ILE A 10 3.004 2.883 -0.578 1.00 60.20 H new ATOM 0 HD13 ILE A 10 3.874 3.785 -1.842 1.00 60.20 H new ATOM 163 N ARG A 11 1.544 1.743 -5.935 1.00 13.31 N ATOM 164 CA ARG A 11 1.058 0.789 -6.963 1.00 0.10 C ATOM 165 C ARG A 11 2.180 0.366 -7.898 1.00 64.41 C ATOM 166 O ARG A 11 2.210 -0.776 -8.372 1.00 73.33 O ATOM 167 CB ARG A 11 -0.107 1.413 -7.765 1.00 33.24 C ATOM 168 CG ARG A 11 -1.203 2.009 -6.879 1.00 1.34 C ATOM 169 CD ARG A 11 -1.766 1.003 -5.868 1.00 34.23 C ATOM 170 NE ARG A 11 -2.693 0.035 -6.478 1.00 4.25 N ATOM 171 CZ ARG A 11 -3.361 -0.903 -5.799 1.00 62.12 C ATOM 172 NH1 ARG A 11 -3.210 -1.021 -4.487 1.00 2.21 N ATOM 173 NH2 ARG A 11 -4.207 -1.696 -6.429 1.00 21.33 N ATOM 0 H ARG A 11 1.138 2.675 -6.018 1.00 13.31 H new ATOM 0 HA ARG A 11 0.696 -0.103 -6.451 1.00 0.10 H new ATOM 0 HB2 ARG A 11 0.287 2.193 -8.417 1.00 33.24 H new ATOM 0 HB3 ARG A 11 -0.545 0.650 -8.409 1.00 33.24 H new ATOM 0 HG2 ARG A 11 -0.802 2.869 -6.343 1.00 1.34 H new ATOM 0 HG3 ARG A 11 -2.013 2.375 -7.509 1.00 1.34 H new ATOM 0 HD2 ARG A 11 -0.941 0.464 -5.402 1.00 34.23 H new ATOM 0 HD3 ARG A 11 -2.283 1.543 -5.075 1.00 34.23 H new ATOM 0 HE ARG A 11 -2.835 0.083 -7.487 1.00 4.25 H new ATOM 0 HH11 ARG A 11 -2.580 -0.393 -3.988 1.00 2.21 H new ATOM 0 HH12 ARG A 11 -3.724 -1.740 -3.977 1.00 2.21 H new ATOM 0 HH21 ARG A 11 -4.351 -1.593 -7.434 1.00 21.33 H new ATOM 0 HH22 ARG A 11 -4.717 -2.412 -5.911 1.00 21.33 H new ATOM 187 N ARG A 12 3.102 1.307 -8.140 1.00 1.25 N ATOM 188 CA ARG A 12 4.316 1.044 -8.908 1.00 63.32 C ATOM 189 C ARG A 12 5.193 0.084 -8.131 1.00 70.41 C ATOM 190 O ARG A 12 5.407 -1.005 -8.581 1.00 32.34 O ATOM 191 CB ARG A 12 5.078 2.355 -9.229 1.00 14.44 C ATOM 192 CG ARG A 12 4.333 3.320 -10.173 1.00 42.35 C ATOM 193 CD ARG A 12 3.872 2.654 -11.476 1.00 33.42 C ATOM 194 NE ARG A 12 5.000 2.193 -12.306 1.00 70.52 N ATOM 195 CZ ARG A 12 4.894 1.694 -13.548 1.00 4.14 C ATOM 196 NH1 ARG A 12 3.711 1.577 -14.146 1.00 55.44 N ATOM 197 NH2 ARG A 12 5.979 1.288 -14.180 1.00 54.33 N ATOM 0 H ARG A 12 3.023 2.268 -7.808 1.00 1.25 H new ATOM 0 HA ARG A 12 4.041 0.594 -9.862 1.00 63.32 H new ATOM 0 HB2 ARG A 12 5.289 2.874 -8.294 1.00 14.44 H new ATOM 0 HB3 ARG A 12 6.039 2.100 -9.677 1.00 14.44 H new ATOM 0 HG2 ARG A 12 3.466 3.728 -9.654 1.00 42.35 H new ATOM 0 HG3 ARG A 12 4.985 4.160 -10.413 1.00 42.35 H new ATOM 0 HD2 ARG A 12 3.230 1.806 -11.239 1.00 33.42 H new ATOM 0 HD3 ARG A 12 3.270 3.360 -12.048 1.00 33.42 H new ATOM 0 HE ARG A 12 5.935 2.258 -11.905 1.00 70.52 H new ATOM 0 HH11 ARG A 12 2.863 1.869 -13.660 1.00 55.44 H new ATOM 0 HH12 ARG A 12 3.652 1.195 -15.090 1.00 55.44 H new ATOM 0 HH21 ARG A 12 6.889 1.355 -13.725 1.00 54.33 H new ATOM 0 HH22 ARG A 12 5.907 0.908 -15.124 1.00 54.33 H new ATOM 211 N TYR A 13 5.602 0.490 -6.927 1.00 61.23 N ATOM 212 CA TYR A 13 6.500 -0.300 -6.034 1.00 1.05 C ATOM 213 C TYR A 13 6.066 -1.779 -5.909 1.00 51.23 C ATOM 214 O TYR A 13 6.905 -2.680 -5.953 1.00 41.21 O ATOM 215 CB TYR A 13 6.563 0.379 -4.645 1.00 23.14 C ATOM 216 CG TYR A 13 7.387 -0.363 -3.572 1.00 62.45 C ATOM 217 CD1 TYR A 13 8.762 -0.540 -3.728 1.00 43.43 C ATOM 218 CD2 TYR A 13 6.790 -0.857 -2.410 1.00 11.34 C ATOM 219 CE1 TYR A 13 9.511 -1.182 -2.769 1.00 44.20 C ATOM 220 CE2 TYR A 13 7.537 -1.502 -1.449 1.00 52.52 C ATOM 221 CZ TYR A 13 8.894 -1.658 -1.630 1.00 70.50 C ATOM 222 OH TYR A 13 9.643 -2.291 -0.664 1.00 31.32 O ATOM 0 H TYR A 13 5.324 1.386 -6.526 1.00 61.23 H new ATOM 0 HA TYR A 13 7.493 -0.314 -6.483 1.00 1.05 H new ATOM 0 HB2 TYR A 13 6.979 1.379 -4.769 1.00 23.14 H new ATOM 0 HB3 TYR A 13 5.545 0.501 -4.275 1.00 23.14 H new ATOM 0 HD1 TYR A 13 9.247 -0.166 -4.618 1.00 43.43 H new ATOM 0 HD2 TYR A 13 5.727 -0.732 -2.263 1.00 11.34 H new ATOM 0 HE1 TYR A 13 10.574 -1.313 -2.907 1.00 44.20 H new ATOM 0 HE2 TYR A 13 7.061 -1.884 -0.558 1.00 52.52 H new ATOM 0 HH TYR A 13 9.398 -1.944 0.219 1.00 31.32 H new ATOM 232 N ILE A 14 4.745 -1.993 -5.803 1.00 54.14 N ATOM 233 CA ILE A 14 4.148 -3.334 -5.750 1.00 25.32 C ATOM 234 C ILE A 14 4.488 -4.102 -7.042 1.00 11.20 C ATOM 235 O ILE A 14 5.119 -5.147 -6.982 1.00 22.20 O ATOM 236 CB ILE A 14 2.597 -3.262 -5.516 1.00 72.23 C ATOM 237 CG1 ILE A 14 2.281 -2.542 -4.165 1.00 34.25 C ATOM 238 CG2 ILE A 14 1.973 -4.675 -5.542 1.00 30.31 C ATOM 239 CD1 ILE A 14 0.818 -2.216 -3.948 1.00 64.14 C ATOM 0 H ILE A 14 4.061 -1.238 -5.752 1.00 54.14 H new ATOM 0 HA ILE A 14 4.570 -3.873 -4.901 1.00 25.32 H new ATOM 0 HB ILE A 14 2.154 -2.682 -6.326 1.00 72.23 H new ATOM 0 HG12 ILE A 14 2.624 -3.172 -3.344 1.00 34.25 H new ATOM 0 HG13 ILE A 14 2.856 -1.617 -4.119 1.00 34.25 H new ATOM 0 HG21 ILE A 14 0.898 -4.601 -5.378 1.00 30.31 H new ATOM 0 HG22 ILE A 14 2.161 -5.138 -6.511 1.00 30.31 H new ATOM 0 HG23 ILE A 14 2.419 -5.284 -4.756 1.00 30.31 H new ATOM 0 HD11 ILE A 14 0.695 -1.719 -2.986 1.00 64.14 H new ATOM 0 HD12 ILE A 14 0.470 -1.558 -4.744 1.00 64.14 H new ATOM 0 HD13 ILE A 14 0.235 -3.137 -3.958 1.00 64.14 H new ATOM 251 N MET A 15 4.116 -3.530 -8.198 1.00 52.12 N ATOM 252 CA MET A 15 4.415 -4.111 -9.523 1.00 4.15 C ATOM 253 C MET A 15 5.937 -4.268 -9.777 1.00 73.53 C ATOM 254 O MET A 15 6.409 -5.384 -9.962 1.00 13.41 O ATOM 255 CB MET A 15 3.728 -3.254 -10.626 1.00 5.53 C ATOM 256 CG MET A 15 2.291 -3.690 -10.884 1.00 5.22 C ATOM 257 SD MET A 15 2.242 -5.410 -11.439 1.00 33.13 S ATOM 258 CE MET A 15 0.505 -5.754 -11.562 1.00 12.43 C ATOM 0 H MET A 15 3.599 -2.652 -8.244 1.00 52.12 H new ATOM 0 HA MET A 15 4.010 -5.122 -9.552 1.00 4.15 H new ATOM 0 HB2 MET A 15 3.740 -2.205 -10.328 1.00 5.53 H new ATOM 0 HB3 MET A 15 4.300 -3.329 -11.551 1.00 5.53 H new ATOM 0 HG2 MET A 15 1.702 -3.578 -9.974 1.00 5.22 H new ATOM 0 HG3 MET A 15 1.839 -3.045 -11.638 1.00 5.22 H new ATOM 0 HE1 MET A 15 0.358 -6.810 -11.790 1.00 12.43 H new ATOM 0 HE2 MET A 15 0.019 -5.517 -10.616 1.00 12.43 H new ATOM 0 HE3 MET A 15 0.069 -5.147 -12.356 1.00 12.43 H new ATOM 268 N GLU A 16 6.668 -3.145 -9.756 1.00 2.52 N ATOM 269 CA GLU A 16 8.123 -3.068 -10.034 1.00 1.43 C ATOM 270 C GLU A 16 8.945 -4.088 -9.224 1.00 52.12 C ATOM 271 O GLU A 16 9.752 -4.832 -9.788 1.00 62.04 O ATOM 272 CB GLU A 16 8.663 -1.644 -9.733 1.00 54.00 C ATOM 273 CG GLU A 16 7.927 -0.486 -10.438 1.00 50.22 C ATOM 274 CD GLU A 16 7.801 -0.637 -11.965 1.00 73.51 C ATOM 275 OE1 GLU A 16 8.796 -0.390 -12.683 1.00 53.32 O ATOM 276 OE2 GLU A 16 6.708 -0.990 -12.453 1.00 35.30 O ATOM 0 H GLU A 16 6.259 -2.236 -9.540 1.00 2.52 H new ATOM 0 HA GLU A 16 8.239 -3.305 -11.092 1.00 1.43 H new ATOM 0 HB2 GLU A 16 8.616 -1.478 -8.657 1.00 54.00 H new ATOM 0 HB3 GLU A 16 9.715 -1.607 -10.016 1.00 54.00 H new ATOM 0 HG2 GLU A 16 6.928 -0.396 -10.012 1.00 50.22 H new ATOM 0 HG3 GLU A 16 8.451 0.445 -10.221 1.00 50.22 H new ATOM 283 N ASP A 17 8.726 -4.110 -7.904 1.00 24.31 N ATOM 284 CA ASP A 17 9.563 -4.885 -6.963 1.00 74.33 C ATOM 285 C ASP A 17 8.879 -6.181 -6.527 1.00 14.53 C ATOM 286 O ASP A 17 9.412 -7.268 -6.755 1.00 41.20 O ATOM 287 CB ASP A 17 9.915 -4.030 -5.722 1.00 11.10 C ATOM 288 CG ASP A 17 10.788 -2.825 -6.081 1.00 75.42 C ATOM 289 OD1 ASP A 17 10.251 -1.743 -6.396 1.00 31.35 O ATOM 290 OD2 ASP A 17 12.032 -2.951 -6.053 1.00 12.41 O ATOM 0 H ASP A 17 7.969 -3.596 -7.454 1.00 24.31 H new ATOM 0 HA ASP A 17 10.480 -5.152 -7.489 1.00 74.33 H new ATOM 0 HB2 ASP A 17 8.996 -3.683 -5.249 1.00 11.10 H new ATOM 0 HB3 ASP A 17 10.436 -4.649 -4.992 1.00 11.10 H new ATOM 295 N LEU A 18 7.689 -6.058 -5.914 1.00 32.22 N ATOM 296 CA LEU A 18 7.013 -7.195 -5.239 1.00 22.15 C ATOM 297 C LEU A 18 6.482 -8.243 -6.232 1.00 15.44 C ATOM 298 O LEU A 18 6.441 -9.434 -5.907 1.00 21.12 O ATOM 299 CB LEU A 18 5.905 -6.686 -4.273 1.00 5.54 C ATOM 300 CG LEU A 18 6.409 -5.897 -3.000 1.00 41.40 C ATOM 301 CD1 LEU A 18 7.590 -6.619 -2.288 1.00 4.31 C ATOM 302 CD2 LEU A 18 6.782 -4.434 -3.319 1.00 1.34 C ATOM 0 H LEU A 18 7.169 -5.182 -5.869 1.00 32.22 H new ATOM 0 HA LEU A 18 7.765 -7.709 -4.641 1.00 22.15 H new ATOM 0 HB2 LEU A 18 5.230 -6.039 -4.834 1.00 5.54 H new ATOM 0 HB3 LEU A 18 5.320 -7.543 -3.938 1.00 5.54 H new ATOM 0 HG LEU A 18 5.564 -5.878 -2.312 1.00 41.40 H new ATOM 0 HD11 LEU A 18 7.901 -6.038 -1.420 1.00 4.31 H new ATOM 0 HD12 LEU A 18 7.270 -7.610 -1.966 1.00 4.31 H new ATOM 0 HD13 LEU A 18 8.427 -6.715 -2.979 1.00 4.31 H new ATOM 0 HD21 LEU A 18 7.122 -3.938 -2.409 1.00 1.34 H new ATOM 0 HD22 LEU A 18 7.580 -4.416 -4.062 1.00 1.34 H new ATOM 0 HD23 LEU A 18 5.909 -3.913 -3.711 1.00 1.34 H new ATOM 314 N ILE A 19 6.078 -7.802 -7.428 1.00 33.15 N ATOM 315 CA ILE A 19 5.774 -8.706 -8.555 1.00 0.13 C ATOM 316 C ILE A 19 7.089 -9.029 -9.283 1.00 32.44 C ATOM 317 O ILE A 19 7.494 -10.191 -9.373 1.00 4.10 O ATOM 318 CB ILE A 19 4.707 -8.093 -9.568 1.00 31.22 C ATOM 319 CG1 ILE A 19 3.245 -8.123 -9.009 1.00 75.25 C ATOM 320 CG2 ILE A 19 4.742 -8.810 -10.940 1.00 1.11 C ATOM 321 CD1 ILE A 19 3.012 -7.429 -7.689 1.00 55.12 C ATOM 0 H ILE A 19 5.951 -6.814 -7.647 1.00 33.15 H new ATOM 0 HA ILE A 19 5.322 -9.614 -8.156 1.00 0.13 H new ATOM 0 HB ILE A 19 4.998 -7.050 -9.696 1.00 31.22 H new ATOM 0 HG12 ILE A 19 2.587 -7.672 -9.752 1.00 75.25 H new ATOM 0 HG13 ILE A 19 2.941 -9.165 -8.905 1.00 75.25 H new ATOM 0 HG21 ILE A 19 4.001 -8.364 -11.603 1.00 1.11 H new ATOM 0 HG22 ILE A 19 5.733 -8.704 -11.381 1.00 1.11 H new ATOM 0 HG23 ILE A 19 4.517 -9.868 -10.804 1.00 1.11 H new ATOM 0 HD11 ILE A 19 1.962 -7.520 -7.410 1.00 55.12 H new ATOM 0 HD12 ILE A 19 3.633 -7.890 -6.921 1.00 55.12 H new ATOM 0 HD13 ILE A 19 3.273 -6.375 -7.781 1.00 55.12 H new ATOM 333 N GLY A 20 7.763 -7.972 -9.765 1.00 61.23 N ATOM 334 CA GLY A 20 9.001 -8.087 -10.553 1.00 61.42 C ATOM 335 C GLY A 20 8.945 -7.259 -11.835 1.00 63.43 C ATOM 336 O GLY A 20 7.938 -6.580 -12.082 1.00 44.11 O ATOM 0 H GLY A 20 7.463 -7.008 -9.618 1.00 61.23 H new ATOM 0 HA2 GLY A 20 9.847 -7.761 -9.948 1.00 61.42 H new ATOM 0 HA3 GLY A 20 9.174 -9.133 -10.805 1.00 61.42 H new ATOM 340 N PRO A 21 10.009 -7.309 -12.698 1.00 12.51 N ATOM 341 CA PRO A 21 10.066 -6.517 -13.958 1.00 74.10 C ATOM 342 C PRO A 21 9.014 -6.981 -14.994 1.00 70.34 C ATOM 343 O PRO A 21 8.634 -6.223 -15.889 1.00 55.12 O ATOM 344 CB PRO A 21 11.515 -6.758 -14.460 1.00 72.33 C ATOM 345 CG PRO A 21 11.906 -8.079 -13.878 1.00 34.13 C ATOM 346 CD PRO A 21 11.235 -8.140 -12.521 1.00 30.34 C ATOM 0 HA PRO A 21 9.836 -5.463 -13.801 1.00 74.10 H new ATOM 0 HB2 PRO A 21 11.558 -6.777 -15.549 1.00 72.33 H new ATOM 0 HB3 PRO A 21 12.186 -5.965 -14.128 1.00 72.33 H new ATOM 0 HG2 PRO A 21 11.578 -8.901 -14.515 1.00 34.13 H new ATOM 0 HG3 PRO A 21 12.989 -8.161 -13.784 1.00 34.13 H new ATOM 0 HD2 PRO A 21 10.988 -9.164 -12.242 1.00 30.34 H new ATOM 0 HD3 PRO A 21 11.879 -7.742 -11.737 1.00 30.34 H new ATOM 354 N SER A 22 8.518 -8.218 -14.834 1.00 3.42 N ATOM 355 CA SER A 22 7.460 -8.789 -15.696 1.00 70.43 C ATOM 356 C SER A 22 6.053 -8.447 -15.142 1.00 64.22 C ATOM 357 O SER A 22 5.099 -9.221 -15.306 1.00 12.33 O ATOM 358 CB SER A 22 7.660 -10.316 -15.782 1.00 73.11 C ATOM 359 OG SER A 22 8.972 -10.636 -16.208 1.00 20.35 O ATOM 0 H SER A 22 8.837 -8.855 -14.104 1.00 3.42 H new ATOM 0 HA SER A 22 7.531 -8.356 -16.694 1.00 70.43 H new ATOM 0 HB2 SER A 22 7.471 -10.766 -14.807 1.00 73.11 H new ATOM 0 HB3 SER A 22 6.935 -10.742 -16.476 1.00 73.11 H new ATOM 0 HG SER A 22 9.073 -11.610 -16.253 1.00 20.35 H new ATOM 365 N ALA A 23 5.949 -7.272 -14.489 1.00 34.04 N ATOM 366 CA ALA A 23 4.700 -6.740 -13.943 1.00 1.34 C ATOM 367 C ALA A 23 3.690 -6.466 -15.053 1.00 31.41 C ATOM 368 O ALA A 23 3.915 -5.590 -15.895 1.00 11.13 O ATOM 369 CB ALA A 23 4.986 -5.457 -13.175 1.00 24.42 C ATOM 0 H ALA A 23 6.750 -6.661 -14.327 1.00 34.04 H new ATOM 0 HA ALA A 23 4.272 -7.483 -13.270 1.00 1.34 H new ATOM 0 HB1 ALA A 23 4.055 -5.061 -12.769 1.00 24.42 H new ATOM 0 HB2 ALA A 23 5.678 -5.668 -12.359 1.00 24.42 H new ATOM 0 HB3 ALA A 23 5.430 -4.722 -13.847 1.00 24.42 H new ATOM 375 N LYS A 24 2.594 -7.243 -15.059 1.00 75.20 N ATOM 376 CA LYS A 24 1.479 -7.035 -15.983 1.00 11.30 C ATOM 377 C LYS A 24 0.706 -5.774 -15.557 1.00 20.31 C ATOM 378 O LYS A 24 -0.257 -5.840 -14.789 1.00 25.02 O ATOM 379 CB LYS A 24 0.567 -8.284 -16.051 1.00 3.15 C ATOM 380 CG LYS A 24 1.275 -9.560 -16.557 1.00 30.54 C ATOM 381 CD LYS A 24 0.296 -10.727 -16.813 1.00 60.21 C ATOM 382 CE LYS A 24 -0.522 -11.125 -15.577 1.00 50.55 C ATOM 383 NZ LYS A 24 -1.418 -12.276 -15.856 1.00 43.52 N ATOM 0 H LYS A 24 2.461 -8.029 -14.423 1.00 75.20 H new ATOM 0 HA LYS A 24 1.863 -6.884 -16.992 1.00 11.30 H new ATOM 0 HB2 LYS A 24 0.161 -8.477 -15.058 1.00 3.15 H new ATOM 0 HB3 LYS A 24 -0.278 -8.068 -16.705 1.00 3.15 H new ATOM 0 HG2 LYS A 24 1.810 -9.332 -17.479 1.00 30.54 H new ATOM 0 HG3 LYS A 24 2.020 -9.871 -15.825 1.00 30.54 H new ATOM 0 HD2 LYS A 24 -0.387 -10.448 -17.616 1.00 60.21 H new ATOM 0 HD3 LYS A 24 0.859 -11.593 -17.160 1.00 60.21 H new ATOM 0 HE2 LYS A 24 0.154 -11.380 -14.761 1.00 50.55 H new ATOM 0 HE3 LYS A 24 -1.116 -10.274 -15.245 1.00 50.55 H new ATOM 0 HZ1 LYS A 24 -1.954 -12.515 -14.997 1.00 43.52 H new ATOM 0 HZ2 LYS A 24 -2.080 -12.024 -16.618 1.00 43.52 H new ATOM 0 HZ3 LYS A 24 -0.849 -13.096 -16.149 1.00 43.52 H new ATOM 397 N GLU A 25 1.221 -4.627 -16.017 1.00 54.30 N ATOM 398 CA GLU A 25 0.683 -3.274 -15.750 1.00 0.11 C ATOM 399 C GLU A 25 -0.756 -3.109 -16.253 1.00 33.11 C ATOM 400 O GLU A 25 -1.510 -2.274 -15.749 1.00 54.10 O ATOM 401 CB GLU A 25 1.603 -2.250 -16.444 1.00 24.34 C ATOM 402 CG GLU A 25 1.775 -2.499 -17.963 1.00 41.20 C ATOM 403 CD GLU A 25 2.936 -1.718 -18.594 1.00 51.21 C ATOM 404 OE1 GLU A 25 4.084 -2.210 -18.537 1.00 65.32 O ATOM 405 OE2 GLU A 25 2.715 -0.607 -19.119 1.00 2.51 O ATOM 0 H GLU A 25 2.053 -4.608 -16.607 1.00 54.30 H new ATOM 0 HA GLU A 25 0.659 -3.114 -14.672 1.00 0.11 H new ATOM 0 HB2 GLU A 25 1.198 -1.249 -16.292 1.00 24.34 H new ATOM 0 HB3 GLU A 25 2.583 -2.273 -15.967 1.00 24.34 H new ATOM 0 HG2 GLU A 25 1.933 -3.564 -18.131 1.00 41.20 H new ATOM 0 HG3 GLU A 25 0.850 -2.230 -18.472 1.00 41.20 H new ATOM 412 N ASP A 26 -1.117 -3.944 -17.235 1.00 32.02 N ATOM 413 CA ASP A 26 -2.463 -3.994 -17.826 1.00 40.15 C ATOM 414 C ASP A 26 -3.524 -4.319 -16.771 1.00 31.15 C ATOM 415 O ASP A 26 -4.698 -4.020 -16.943 1.00 12.12 O ATOM 416 CB ASP A 26 -2.506 -5.075 -18.934 1.00 52.24 C ATOM 417 CG ASP A 26 -1.454 -4.866 -20.029 1.00 1.20 C ATOM 418 OD1 ASP A 26 -0.260 -5.169 -19.779 1.00 63.23 O ATOM 419 OD2 ASP A 26 -1.808 -4.419 -21.143 1.00 54.34 O ATOM 0 H ASP A 26 -0.472 -4.616 -17.650 1.00 32.02 H new ATOM 0 HA ASP A 26 -2.681 -3.012 -18.246 1.00 40.15 H new ATOM 0 HB2 ASP A 26 -2.358 -6.055 -18.481 1.00 52.24 H new ATOM 0 HB3 ASP A 26 -3.497 -5.080 -19.388 1.00 52.24 H new ATOM 424 N GLU A 27 -3.065 -4.954 -15.686 1.00 24.51 N ATOM 425 CA GLU A 27 -3.901 -5.424 -14.574 1.00 53.33 C ATOM 426 C GLU A 27 -3.933 -4.404 -13.402 1.00 32.44 C ATOM 427 O GLU A 27 -4.792 -4.479 -12.510 1.00 44.44 O ATOM 428 CB GLU A 27 -3.316 -6.772 -14.093 1.00 51.13 C ATOM 429 CG GLU A 27 -3.031 -7.801 -15.205 1.00 31.11 C ATOM 430 CD GLU A 27 -4.258 -8.170 -16.052 1.00 52.51 C ATOM 431 OE1 GLU A 27 -5.127 -8.908 -15.551 1.00 75.43 O ATOM 432 OE2 GLU A 27 -4.369 -7.719 -17.211 1.00 32.44 O ATOM 0 H GLU A 27 -2.075 -5.161 -15.553 1.00 24.51 H new ATOM 0 HA GLU A 27 -4.930 -5.540 -14.916 1.00 53.33 H new ATOM 0 HB2 GLU A 27 -2.388 -6.576 -13.556 1.00 51.13 H new ATOM 0 HB3 GLU A 27 -4.010 -7.216 -13.379 1.00 51.13 H new ATOM 0 HG2 GLU A 27 -2.256 -7.404 -15.861 1.00 31.11 H new ATOM 0 HG3 GLU A 27 -2.631 -8.708 -14.751 1.00 31.11 H new ATOM 439 N LEU A 28 -2.985 -3.457 -13.419 1.00 20.22 N ATOM 440 CA LEU A 28 -2.760 -2.506 -12.324 1.00 34.44 C ATOM 441 C LEU A 28 -3.744 -1.314 -12.413 1.00 21.35 C ATOM 442 O LEU A 28 -3.811 -0.623 -13.431 1.00 30.42 O ATOM 443 CB LEU A 28 -1.268 -2.049 -12.362 1.00 23.34 C ATOM 444 CG LEU A 28 -0.703 -1.246 -11.131 1.00 50.15 C ATOM 445 CD1 LEU A 28 -1.147 0.244 -11.112 1.00 55.50 C ATOM 446 CD2 LEU A 28 -1.057 -1.950 -9.789 1.00 74.32 C ATOM 0 H LEU A 28 -2.346 -3.329 -14.203 1.00 20.22 H new ATOM 0 HA LEU A 28 -2.953 -2.986 -11.365 1.00 34.44 H new ATOM 0 HB2 LEU A 28 -0.651 -2.938 -12.491 1.00 23.34 H new ATOM 0 HB3 LEU A 28 -1.131 -1.434 -13.252 1.00 23.34 H new ATOM 0 HG LEU A 28 0.381 -1.241 -11.246 1.00 50.15 H new ATOM 0 HD11 LEU A 28 -0.723 0.739 -10.238 1.00 55.50 H new ATOM 0 HD12 LEU A 28 -0.795 0.740 -12.016 1.00 55.50 H new ATOM 0 HD13 LEU A 28 -2.235 0.299 -11.068 1.00 55.50 H new ATOM 0 HD21 LEU A 28 -0.654 -1.372 -8.958 1.00 74.32 H new ATOM 0 HD22 LEU A 28 -2.140 -2.021 -9.690 1.00 74.32 H new ATOM 0 HD23 LEU A 28 -0.626 -2.951 -9.778 1.00 74.32 H new ATOM 458 N ASP A 29 -4.514 -1.120 -11.330 1.00 13.24 N ATOM 459 CA ASP A 29 -5.280 0.111 -11.039 1.00 50.45 C ATOM 460 C ASP A 29 -5.157 0.421 -9.545 1.00 44.44 C ATOM 461 O ASP A 29 -4.472 -0.294 -8.804 1.00 61.05 O ATOM 462 CB ASP A 29 -6.793 -0.026 -11.457 1.00 1.55 C ATOM 463 CG ASP A 29 -7.109 0.540 -12.854 1.00 52.10 C ATOM 464 OD1 ASP A 29 -6.864 -0.145 -13.862 1.00 1.10 O ATOM 465 OD2 ASP A 29 -7.582 1.693 -12.947 1.00 14.24 O ATOM 0 H ASP A 29 -4.627 -1.833 -10.610 1.00 13.24 H new ATOM 0 HA ASP A 29 -4.866 0.931 -11.627 1.00 50.45 H new ATOM 0 HB2 ASP A 29 -7.073 -1.079 -11.431 1.00 1.55 H new ATOM 0 HB3 ASP A 29 -7.411 0.487 -10.720 1.00 1.55 H new ATOM 470 N ASP A 30 -5.812 1.517 -9.128 1.00 63.44 N ATOM 471 CA ASP A 30 -5.878 1.933 -7.716 1.00 21.52 C ATOM 472 C ASP A 30 -6.865 1.036 -6.952 1.00 62.34 C ATOM 473 O ASP A 30 -6.572 0.576 -5.850 1.00 25.43 O ATOM 474 CB ASP A 30 -6.290 3.430 -7.613 1.00 62.24 C ATOM 475 CG ASP A 30 -7.731 3.736 -8.062 1.00 14.54 C ATOM 476 OD1 ASP A 30 -8.072 3.482 -9.240 1.00 62.24 O ATOM 477 OD2 ASP A 30 -8.538 4.222 -7.241 1.00 61.44 O ATOM 0 H ASP A 30 -6.312 2.141 -9.761 1.00 63.44 H new ATOM 0 HA ASP A 30 -4.892 1.823 -7.264 1.00 21.52 H new ATOM 0 HB2 ASP A 30 -6.170 3.755 -6.580 1.00 62.24 H new ATOM 0 HB3 ASP A 30 -5.603 4.024 -8.216 1.00 62.24 H new ATOM 482 N GLN A 31 -8.024 0.766 -7.583 1.00 25.32 N ATOM 483 CA GLN A 31 -9.109 -0.035 -6.997 1.00 53.02 C ATOM 484 C GLN A 31 -8.807 -1.533 -7.063 1.00 31.22 C ATOM 485 O GLN A 31 -9.519 -2.316 -6.411 1.00 15.44 O ATOM 486 CB GLN A 31 -10.448 0.233 -7.722 1.00 33.14 C ATOM 487 CG GLN A 31 -10.938 1.693 -7.676 1.00 71.31 C ATOM 488 CD GLN A 31 -12.290 1.896 -8.373 1.00 14.32 C ATOM 489 OE1 GLN A 31 -13.140 1.000 -8.385 1.00 61.52 O ATOM 490 NE2 GLN A 31 -12.495 3.058 -8.976 1.00 61.33 N ATOM 0 H GLN A 31 -8.233 1.103 -8.523 1.00 25.32 H new ATOM 0 HA GLN A 31 -9.188 0.265 -5.952 1.00 53.02 H new ATOM 0 HB2 GLN A 31 -10.344 -0.066 -8.765 1.00 33.14 H new ATOM 0 HB3 GLN A 31 -11.215 -0.405 -7.282 1.00 33.14 H new ATOM 0 HG2 GLN A 31 -11.021 2.010 -6.636 1.00 71.31 H new ATOM 0 HG3 GLN A 31 -10.193 2.335 -8.146 1.00 71.31 H new ATOM 0 HE21 GLN A 31 -11.775 3.780 -8.950 1.00 61.33 H new ATOM 0 HE22 GLN A 31 -13.373 3.230 -9.466 1.00 61.33 H new ATOM 499 N THR A 32 -7.784 -1.927 -7.867 1.00 21.44 N ATOM 500 CA THR A 32 -7.403 -3.336 -8.029 1.00 5.15 C ATOM 501 C THR A 32 -7.114 -3.983 -6.651 1.00 71.32 C ATOM 502 O THR A 32 -6.127 -3.625 -5.992 1.00 11.23 O ATOM 503 CB THR A 32 -6.177 -3.526 -8.962 1.00 62.42 C ATOM 504 OG1 THR A 32 -6.507 -3.105 -10.293 1.00 21.34 O ATOM 505 CG2 THR A 32 -5.702 -4.994 -8.975 1.00 3.11 C ATOM 0 H THR A 32 -7.214 -1.279 -8.410 1.00 21.44 H new ATOM 0 HA THR A 32 -8.251 -3.832 -8.501 1.00 5.15 H new ATOM 0 HB THR A 32 -5.362 -2.913 -8.578 1.00 62.42 H new ATOM 0 HG1 THR A 32 -5.922 -3.560 -10.934 1.00 21.34 H new ATOM 0 HG21 THR A 32 -4.842 -5.092 -9.638 1.00 3.11 H new ATOM 0 HG22 THR A 32 -5.418 -5.294 -7.966 1.00 3.11 H new ATOM 0 HG23 THR A 32 -6.509 -5.634 -9.330 1.00 3.11 H new ATOM 513 N PRO A 33 -7.980 -4.932 -6.212 1.00 64.44 N ATOM 514 CA PRO A 33 -7.875 -5.540 -4.878 1.00 2.40 C ATOM 515 C PRO A 33 -6.666 -6.496 -4.810 1.00 31.44 C ATOM 516 O PRO A 33 -6.669 -7.590 -5.370 1.00 51.23 O ATOM 517 CB PRO A 33 -9.227 -6.259 -4.731 1.00 11.50 C ATOM 518 CG PRO A 33 -9.632 -6.607 -6.130 1.00 34.31 C ATOM 519 CD PRO A 33 -9.123 -5.490 -6.992 1.00 11.20 C ATOM 0 HA PRO A 33 -7.699 -4.831 -4.069 1.00 2.40 H new ATOM 0 HB2 PRO A 33 -9.135 -7.152 -4.113 1.00 11.50 H new ATOM 0 HB3 PRO A 33 -9.967 -5.616 -4.254 1.00 11.50 H new ATOM 0 HG2 PRO A 33 -9.204 -7.562 -6.435 1.00 34.31 H new ATOM 0 HG3 PRO A 33 -10.715 -6.702 -6.212 1.00 34.31 H new ATOM 0 HD2 PRO A 33 -8.802 -5.853 -7.969 1.00 11.20 H new ATOM 0 HD3 PRO A 33 -9.892 -4.738 -7.168 1.00 11.20 H new ATOM 527 N LEU A 34 -5.628 -6.033 -4.122 1.00 42.22 N ATOM 528 CA LEU A 34 -4.347 -6.730 -3.982 1.00 51.44 C ATOM 529 C LEU A 34 -4.526 -8.095 -3.289 1.00 41.32 C ATOM 530 O LEU A 34 -4.110 -9.129 -3.814 1.00 10.32 O ATOM 531 CB LEU A 34 -3.384 -5.840 -3.173 1.00 44.44 C ATOM 532 CG LEU A 34 -3.144 -4.403 -3.714 1.00 72.52 C ATOM 533 CD1 LEU A 34 -2.370 -3.547 -2.686 1.00 72.45 C ATOM 534 CD2 LEU A 34 -2.412 -4.427 -5.077 1.00 70.33 C ATOM 0 H LEU A 34 -5.651 -5.139 -3.632 1.00 42.22 H new ATOM 0 HA LEU A 34 -3.935 -6.919 -4.973 1.00 51.44 H new ATOM 0 HB2 LEU A 34 -3.767 -5.761 -2.155 1.00 44.44 H new ATOM 0 HB3 LEU A 34 -2.421 -6.347 -3.113 1.00 44.44 H new ATOM 0 HG LEU A 34 -4.120 -3.943 -3.872 1.00 72.52 H new ATOM 0 HD11 LEU A 34 -2.215 -2.546 -3.089 1.00 72.45 H new ATOM 0 HD12 LEU A 34 -2.944 -3.481 -1.762 1.00 72.45 H new ATOM 0 HD13 LEU A 34 -1.404 -4.009 -2.481 1.00 72.45 H new ATOM 0 HD21 LEU A 34 -2.260 -3.406 -5.427 1.00 70.33 H new ATOM 0 HD22 LEU A 34 -1.446 -4.919 -4.963 1.00 70.33 H new ATOM 0 HD23 LEU A 34 -3.013 -4.973 -5.803 1.00 70.33 H new ATOM 546 N LEU A 35 -5.170 -8.066 -2.109 1.00 44.42 N ATOM 547 CA LEU A 35 -5.472 -9.275 -1.308 1.00 34.12 C ATOM 548 C LEU A 35 -6.305 -10.287 -2.103 1.00 42.21 C ATOM 549 O LEU A 35 -6.008 -11.483 -2.107 1.00 4.00 O ATOM 550 CB LEU A 35 -6.252 -8.888 -0.034 1.00 13.30 C ATOM 551 CG LEU A 35 -5.483 -8.025 1.005 1.00 21.02 C ATOM 552 CD1 LEU A 35 -6.447 -7.483 2.064 1.00 54.23 C ATOM 553 CD2 LEU A 35 -4.345 -8.825 1.681 1.00 13.13 C ATOM 0 H LEU A 35 -5.499 -7.202 -1.679 1.00 44.42 H new ATOM 0 HA LEU A 35 -4.519 -9.734 -1.044 1.00 34.12 H new ATOM 0 HB2 LEU A 35 -7.149 -8.346 -0.333 1.00 13.30 H new ATOM 0 HB3 LEU A 35 -6.581 -9.803 0.457 1.00 13.30 H new ATOM 0 HG LEU A 35 -5.031 -7.190 0.470 1.00 21.02 H new ATOM 0 HD11 LEU A 35 -5.894 -6.881 2.785 1.00 54.23 H new ATOM 0 HD12 LEU A 35 -7.207 -6.867 1.583 1.00 54.23 H new ATOM 0 HD13 LEU A 35 -6.927 -8.315 2.579 1.00 54.23 H new ATOM 0 HD21 LEU A 35 -3.830 -8.188 2.401 1.00 13.13 H new ATOM 0 HD22 LEU A 35 -4.764 -9.690 2.196 1.00 13.13 H new ATOM 0 HD23 LEU A 35 -3.637 -9.162 0.923 1.00 13.13 H new ATOM 565 N GLU A 36 -7.336 -9.771 -2.781 1.00 2.45 N ATOM 566 CA GLU A 36 -8.292 -10.595 -3.537 1.00 13.11 C ATOM 567 C GLU A 36 -7.606 -11.289 -4.725 1.00 42.54 C ATOM 568 O GLU A 36 -7.995 -12.388 -5.113 1.00 70.40 O ATOM 569 CB GLU A 36 -9.448 -9.709 -4.045 1.00 33.42 C ATOM 570 CG GLU A 36 -10.663 -10.449 -4.631 1.00 63.44 C ATOM 571 CD GLU A 36 -11.440 -11.273 -3.590 1.00 34.23 C ATOM 572 OE1 GLU A 36 -12.311 -10.696 -2.897 1.00 14.22 O ATOM 573 OE2 GLU A 36 -11.194 -12.489 -3.455 1.00 62.12 O ATOM 0 H GLU A 36 -7.533 -8.771 -2.823 1.00 2.45 H new ATOM 0 HA GLU A 36 -8.683 -11.366 -2.873 1.00 13.11 H new ATOM 0 HB2 GLU A 36 -9.792 -9.087 -3.219 1.00 33.42 H new ATOM 0 HB3 GLU A 36 -9.055 -9.037 -4.808 1.00 33.42 H new ATOM 0 HG2 GLU A 36 -11.337 -9.722 -5.084 1.00 63.44 H new ATOM 0 HG3 GLU A 36 -10.325 -11.111 -5.428 1.00 63.44 H new ATOM 580 N TRP A 37 -6.568 -10.636 -5.274 1.00 73.25 N ATOM 581 CA TRP A 37 -5.809 -11.152 -6.436 1.00 3.32 C ATOM 582 C TRP A 37 -4.601 -11.991 -5.977 1.00 4.11 C ATOM 583 O TRP A 37 -3.843 -12.495 -6.811 1.00 4.21 O ATOM 584 CB TRP A 37 -5.355 -9.968 -7.329 1.00 42.10 C ATOM 585 CG TRP A 37 -6.459 -9.312 -8.140 1.00 71.41 C ATOM 586 CD1 TRP A 37 -7.778 -9.188 -7.814 1.00 3.23 C ATOM 587 CD2 TRP A 37 -6.315 -8.676 -9.416 1.00 24.11 C ATOM 588 NE1 TRP A 37 -8.454 -8.522 -8.800 1.00 52.42 N ATOM 589 CE2 TRP A 37 -7.583 -8.200 -9.796 1.00 24.42 C ATOM 590 CE3 TRP A 37 -5.240 -8.473 -10.270 1.00 54.23 C ATOM 591 CZ2 TRP A 37 -7.800 -7.528 -10.994 1.00 55.34 C ATOM 592 CZ3 TRP A 37 -5.455 -7.806 -11.457 1.00 23.14 C ATOM 593 CH2 TRP A 37 -6.724 -7.339 -11.812 1.00 12.25 C ATOM 0 H TRP A 37 -6.229 -9.738 -4.929 1.00 73.25 H new ATOM 0 HA TRP A 37 -6.458 -11.805 -7.019 1.00 3.32 H new ATOM 0 HB2 TRP A 37 -4.893 -9.211 -6.695 1.00 42.10 H new ATOM 0 HB3 TRP A 37 -4.585 -10.324 -8.014 1.00 42.10 H new ATOM 0 HD1 TRP A 37 -8.226 -9.563 -6.905 1.00 3.23 H new ATOM 0 HE1 TRP A 37 -9.450 -8.302 -8.790 1.00 52.42 H new ATOM 0 HE3 TRP A 37 -4.255 -8.830 -10.010 1.00 54.23 H new ATOM 0 HZ2 TRP A 37 -8.782 -7.170 -11.266 1.00 55.34 H new ATOM 0 HZ3 TRP A 37 -4.625 -7.641 -12.128 1.00 23.14 H new ATOM 0 HH2 TRP A 37 -6.855 -6.820 -12.750 1.00 12.25 H new ATOM 604 N GLY A 38 -4.429 -12.121 -4.649 1.00 63.34 N ATOM 605 CA GLY A 38 -3.327 -12.895 -4.072 1.00 41.21 C ATOM 606 C GLY A 38 -1.966 -12.215 -4.230 1.00 20.41 C ATOM 607 O GLY A 38 -0.923 -12.859 -4.077 1.00 40.34 O ATOM 0 H GLY A 38 -5.045 -11.696 -3.956 1.00 63.34 H new ATOM 0 HA2 GLY A 38 -3.523 -13.060 -3.012 1.00 41.21 H new ATOM 0 HA3 GLY A 38 -3.293 -13.876 -4.546 1.00 41.21 H new ATOM 611 N ILE A 39 -1.984 -10.904 -4.546 1.00 13.05 N ATOM 612 CA ILE A 39 -0.780 -10.086 -4.749 1.00 44.12 C ATOM 613 C ILE A 39 -0.043 -9.926 -3.413 1.00 11.24 C ATOM 614 O ILE A 39 1.187 -9.897 -3.365 1.00 1.41 O ATOM 615 CB ILE A 39 -1.169 -8.677 -5.355 1.00 53.11 C ATOM 616 CG1 ILE A 39 -1.819 -8.844 -6.775 1.00 23.14 C ATOM 617 CG2 ILE A 39 0.036 -7.712 -5.402 1.00 23.43 C ATOM 618 CD1 ILE A 39 -2.311 -7.554 -7.422 1.00 14.12 C ATOM 0 H ILE A 39 -2.851 -10.380 -4.668 1.00 13.05 H new ATOM 0 HA ILE A 39 -0.118 -10.582 -5.458 1.00 44.12 H new ATOM 0 HB ILE A 39 -1.907 -8.229 -4.690 1.00 53.11 H new ATOM 0 HG12 ILE A 39 -1.089 -9.308 -7.438 1.00 23.14 H new ATOM 0 HG13 ILE A 39 -2.659 -9.533 -6.693 1.00 23.14 H new ATOM 0 HG21 ILE A 39 -0.278 -6.758 -5.825 1.00 23.43 H new ATOM 0 HG22 ILE A 39 0.415 -7.554 -4.392 1.00 23.43 H new ATOM 0 HG23 ILE A 39 0.823 -8.142 -6.022 1.00 23.43 H new ATOM 0 HD11 ILE A 39 -2.742 -7.778 -8.398 1.00 14.12 H new ATOM 0 HD12 ILE A 39 -3.069 -7.095 -6.787 1.00 14.12 H new ATOM 0 HD13 ILE A 39 -1.474 -6.866 -7.544 1.00 14.12 H new ATOM 630 N LEU A 40 -0.834 -9.849 -2.335 1.00 53.13 N ATOM 631 CA LEU A 40 -0.325 -9.723 -0.970 1.00 51.31 C ATOM 632 C LEU A 40 -0.406 -11.055 -0.229 1.00 2.33 C ATOM 633 O LEU A 40 -1.427 -11.750 -0.304 1.00 1.12 O ATOM 634 CB LEU A 40 -1.117 -8.648 -0.208 1.00 14.23 C ATOM 635 CG LEU A 40 -1.157 -7.238 -0.859 1.00 51.24 C ATOM 636 CD1 LEU A 40 -1.874 -6.234 0.059 1.00 1.34 C ATOM 637 CD2 LEU A 40 0.251 -6.739 -1.252 1.00 24.52 C ATOM 0 H LEU A 40 -1.852 -9.873 -2.390 1.00 53.13 H new ATOM 0 HA LEU A 40 0.722 -9.426 -1.024 1.00 51.31 H new ATOM 0 HB2 LEU A 40 -2.142 -8.999 -0.086 1.00 14.23 H new ATOM 0 HB3 LEU A 40 -0.692 -8.553 0.791 1.00 14.23 H new ATOM 0 HG LEU A 40 -1.729 -7.321 -1.783 1.00 51.24 H new ATOM 0 HD11 LEU A 40 -1.890 -5.253 -0.417 1.00 1.34 H new ATOM 0 HD12 LEU A 40 -2.896 -6.569 0.236 1.00 1.34 H new ATOM 0 HD13 LEU A 40 -1.344 -6.167 1.009 1.00 1.34 H new ATOM 0 HD21 LEU A 40 0.174 -5.750 -1.703 1.00 24.52 H new ATOM 0 HD22 LEU A 40 0.879 -6.684 -0.363 1.00 24.52 H new ATOM 0 HD23 LEU A 40 0.695 -7.430 -1.968 1.00 24.52 H new ATOM 649 N ASN A 41 0.674 -11.382 0.491 1.00 45.34 N ATOM 650 CA ASN A 41 0.772 -12.594 1.320 1.00 42.50 C ATOM 651 C ASN A 41 1.978 -12.457 2.276 1.00 60.14 C ATOM 652 O ASN A 41 2.960 -13.208 2.168 1.00 74.52 O ATOM 653 CB ASN A 41 0.865 -13.867 0.423 1.00 40.41 C ATOM 654 CG ASN A 41 0.943 -15.192 1.197 1.00 10.22 C ATOM 655 OD1 ASN A 41 0.400 -15.328 2.296 1.00 23.35 O ATOM 656 ND2 ASN A 41 1.610 -16.185 0.625 1.00 50.12 N ATOM 0 H ASN A 41 1.516 -10.807 0.516 1.00 45.34 H new ATOM 0 HA ASN A 41 -0.128 -12.706 1.924 1.00 42.50 H new ATOM 0 HB2 ASN A 41 -0.004 -13.896 -0.234 1.00 40.41 H new ATOM 0 HB3 ASN A 41 1.745 -13.782 -0.215 1.00 40.41 H new ATOM 0 HD21 ASN A 41 1.683 -17.087 1.095 1.00 50.12 H new ATOM 0 HD22 ASN A 41 2.050 -16.046 -0.285 1.00 50.12 H new ATOM 663 N SER A 42 1.894 -11.434 3.164 1.00 64.42 N ATOM 664 CA SER A 42 2.841 -11.173 4.283 1.00 24.33 C ATOM 665 C SER A 42 4.234 -10.708 3.816 1.00 51.10 C ATOM 666 O SER A 42 4.613 -9.565 4.066 1.00 43.23 O ATOM 667 CB SER A 42 2.935 -12.386 5.237 1.00 25.30 C ATOM 668 OG SER A 42 3.744 -12.088 6.365 1.00 33.21 O ATOM 0 H SER A 42 1.143 -10.745 3.121 1.00 64.42 H new ATOM 0 HA SER A 42 2.422 -10.335 4.840 1.00 24.33 H new ATOM 0 HB2 SER A 42 1.936 -12.671 5.567 1.00 25.30 H new ATOM 0 HB3 SER A 42 3.350 -13.241 4.703 1.00 25.30 H new ATOM 673 N MET A 43 4.979 -11.606 3.147 1.00 24.01 N ATOM 674 CA MET A 43 6.369 -11.377 2.674 1.00 73.13 C ATOM 675 C MET A 43 6.557 -9.984 2.051 1.00 11.44 C ATOM 676 O MET A 43 7.492 -9.262 2.359 1.00 4.12 O ATOM 677 CB MET A 43 6.736 -12.449 1.609 1.00 43.31 C ATOM 678 CG MET A 43 6.490 -13.925 1.997 1.00 1.54 C ATOM 679 SD MET A 43 7.420 -14.478 3.451 1.00 51.04 S ATOM 680 CE MET A 43 6.314 -14.080 4.802 1.00 72.03 C ATOM 0 H MET A 43 4.629 -12.535 2.911 1.00 24.01 H new ATOM 0 HA MET A 43 7.020 -11.448 3.545 1.00 73.13 H new ATOM 0 HB2 MET A 43 6.169 -12.236 0.703 1.00 43.31 H new ATOM 0 HB3 MET A 43 7.791 -12.334 1.360 1.00 43.31 H new ATOM 0 HG2 MET A 43 5.426 -14.067 2.185 1.00 1.54 H new ATOM 0 HG3 MET A 43 6.751 -14.560 1.150 1.00 1.54 H new ATOM 0 HE1 MET A 43 6.618 -14.628 5.694 1.00 72.03 H new ATOM 0 HE2 MET A 43 6.355 -13.009 5.002 1.00 72.03 H new ATOM 0 HE3 MET A 43 5.296 -14.360 4.533 1.00 72.03 H new ATOM 690 N ASN A 44 5.607 -9.640 1.191 1.00 11.34 N ATOM 691 CA ASN A 44 5.563 -8.370 0.438 1.00 1.04 C ATOM 692 C ASN A 44 4.888 -7.230 1.251 1.00 64.23 C ATOM 693 O ASN A 44 5.253 -6.067 1.117 1.00 0.24 O ATOM 694 CB ASN A 44 4.836 -8.634 -0.910 1.00 52.42 C ATOM 695 CG ASN A 44 3.526 -9.433 -0.788 1.00 55.22 C ATOM 696 OD1 ASN A 44 2.761 -9.265 0.168 1.00 15.10 O ATOM 697 ND2 ASN A 44 3.300 -10.372 -1.696 1.00 41.03 N ATOM 0 H ASN A 44 4.816 -10.249 0.984 1.00 11.34 H new ATOM 0 HA ASN A 44 6.579 -8.025 0.245 1.00 1.04 H new ATOM 0 HB2 ASN A 44 4.619 -7.677 -1.384 1.00 52.42 H new ATOM 0 HB3 ASN A 44 5.513 -9.172 -1.573 1.00 52.42 H new ATOM 0 HD21 ASN A 44 2.481 -10.974 -1.614 1.00 41.03 H new ATOM 0 HD22 ASN A 44 3.945 -10.492 -2.477 1.00 41.03 H new ATOM 704 N ILE A 45 3.934 -7.605 2.110 1.00 54.15 N ATOM 705 CA ILE A 45 3.157 -6.677 2.969 1.00 14.33 C ATOM 706 C ILE A 45 4.059 -5.893 3.929 1.00 54.04 C ATOM 707 O ILE A 45 3.828 -4.708 4.191 1.00 32.41 O ATOM 708 CB ILE A 45 2.063 -7.509 3.752 1.00 11.53 C ATOM 709 CG1 ILE A 45 0.795 -7.687 2.865 1.00 11.54 C ATOM 710 CG2 ILE A 45 1.722 -6.938 5.155 1.00 31.33 C ATOM 711 CD1 ILE A 45 -0.266 -8.574 3.458 1.00 41.12 C ATOM 0 H ILE A 45 3.668 -8.581 2.237 1.00 54.15 H new ATOM 0 HA ILE A 45 2.669 -5.934 2.339 1.00 14.33 H new ATOM 0 HB ILE A 45 2.493 -8.490 3.954 1.00 11.53 H new ATOM 0 HG12 ILE A 45 0.363 -6.705 2.671 1.00 11.54 H new ATOM 0 HG13 ILE A 45 1.097 -8.098 1.902 1.00 11.54 H new ATOM 0 HG21 ILE A 45 0.965 -7.563 5.628 1.00 31.33 H new ATOM 0 HG22 ILE A 45 2.621 -6.927 5.772 1.00 31.33 H new ATOM 0 HG23 ILE A 45 1.341 -5.922 5.052 1.00 31.33 H new ATOM 0 HD11 ILE A 45 -1.110 -8.640 2.772 1.00 41.12 H new ATOM 0 HD12 ILE A 45 0.144 -9.570 3.625 1.00 41.12 H new ATOM 0 HD13 ILE A 45 -0.601 -8.156 4.407 1.00 41.12 H new ATOM 723 N VAL A 46 5.089 -6.573 4.425 1.00 54.31 N ATOM 724 CA VAL A 46 6.035 -6.005 5.391 1.00 12.20 C ATOM 725 C VAL A 46 6.938 -4.940 4.712 1.00 34.03 C ATOM 726 O VAL A 46 7.481 -4.044 5.370 1.00 55.23 O ATOM 727 CB VAL A 46 6.859 -7.145 6.090 1.00 21.23 C ATOM 728 CG1 VAL A 46 7.722 -6.595 7.238 1.00 11.22 C ATOM 729 CG2 VAL A 46 5.924 -8.256 6.622 1.00 53.20 C ATOM 0 H VAL A 46 5.295 -7.539 4.169 1.00 54.31 H new ATOM 0 HA VAL A 46 5.480 -5.490 6.175 1.00 12.20 H new ATOM 0 HB VAL A 46 7.522 -7.571 5.337 1.00 21.23 H new ATOM 0 HG11 VAL A 46 8.278 -7.412 7.699 1.00 11.22 H new ATOM 0 HG12 VAL A 46 8.421 -5.856 6.846 1.00 11.22 H new ATOM 0 HG13 VAL A 46 7.080 -6.127 7.984 1.00 11.22 H new ATOM 0 HG21 VAL A 46 6.519 -9.033 7.101 1.00 53.20 H new ATOM 0 HG22 VAL A 46 5.230 -7.831 7.347 1.00 53.20 H new ATOM 0 HG23 VAL A 46 5.363 -8.688 5.793 1.00 53.20 H new ATOM 739 N LYS A 47 7.033 -5.029 3.368 1.00 21.31 N ATOM 740 CA LYS A 47 7.708 -4.018 2.527 1.00 42.35 C ATOM 741 C LYS A 47 6.842 -2.764 2.415 1.00 22.21 C ATOM 742 O LYS A 47 7.376 -1.667 2.333 1.00 31.13 O ATOM 743 CB LYS A 47 8.048 -4.562 1.108 1.00 52.14 C ATOM 744 CG LYS A 47 9.291 -5.470 1.046 1.00 33.00 C ATOM 745 CD LYS A 47 9.177 -6.692 1.968 1.00 51.44 C ATOM 746 CE LYS A 47 10.384 -7.630 1.892 1.00 54.01 C ATOM 747 NZ LYS A 47 10.310 -8.687 2.932 1.00 10.42 N ATOM 0 H LYS A 47 6.643 -5.806 2.835 1.00 21.31 H new ATOM 0 HA LYS A 47 8.651 -3.769 3.014 1.00 42.35 H new ATOM 0 HB2 LYS A 47 7.189 -5.119 0.732 1.00 52.14 H new ATOM 0 HB3 LYS A 47 8.199 -3.717 0.436 1.00 52.14 H new ATOM 0 HG2 LYS A 47 9.440 -5.806 0.020 1.00 33.00 H new ATOM 0 HG3 LYS A 47 10.173 -4.892 1.323 1.00 33.00 H new ATOM 0 HD2 LYS A 47 9.056 -6.351 2.996 1.00 51.44 H new ATOM 0 HD3 LYS A 47 8.277 -7.250 1.709 1.00 51.44 H new ATOM 0 HE2 LYS A 47 10.428 -8.090 0.905 1.00 54.01 H new ATOM 0 HE3 LYS A 47 11.302 -7.056 2.018 1.00 54.01 H new ATOM 0 HZ1 LYS A 47 10.998 -9.436 2.715 1.00 10.42 H new ATOM 0 HZ2 LYS A 47 10.529 -8.275 3.862 1.00 10.42 H new ATOM 0 HZ3 LYS A 47 9.352 -9.091 2.949 1.00 10.42 H new ATOM 761 N LEU A 48 5.500 -2.933 2.399 1.00 23.13 N ATOM 762 CA LEU A 48 4.558 -1.784 2.431 1.00 2.13 C ATOM 763 C LEU A 48 4.722 -0.994 3.743 1.00 31.44 C ATOM 764 O LEU A 48 4.727 0.237 3.721 1.00 60.43 O ATOM 765 CB LEU A 48 3.072 -2.226 2.238 1.00 52.01 C ATOM 766 CG LEU A 48 2.620 -2.548 0.767 1.00 55.43 C ATOM 767 CD1 LEU A 48 2.830 -1.329 -0.173 1.00 3.41 C ATOM 768 CD2 LEU A 48 3.309 -3.811 0.200 1.00 43.24 C ATOM 0 H LEU A 48 5.045 -3.845 2.364 1.00 23.13 H new ATOM 0 HA LEU A 48 4.809 -1.138 1.590 1.00 2.13 H new ATOM 0 HB2 LEU A 48 2.897 -3.111 2.850 1.00 52.01 H new ATOM 0 HB3 LEU A 48 2.428 -1.437 2.628 1.00 52.01 H new ATOM 0 HG LEU A 48 1.552 -2.760 0.811 1.00 55.43 H new ATOM 0 HD11 LEU A 48 2.507 -1.587 -1.181 1.00 3.41 H new ATOM 0 HD12 LEU A 48 2.245 -0.484 0.190 1.00 3.41 H new ATOM 0 HD13 LEU A 48 3.886 -1.059 -0.188 1.00 3.41 H new ATOM 0 HD21 LEU A 48 2.962 -3.989 -0.818 1.00 43.24 H new ATOM 0 HD22 LEU A 48 4.389 -3.665 0.195 1.00 43.24 H new ATOM 0 HD23 LEU A 48 3.062 -4.671 0.823 1.00 43.24 H new ATOM 780 N MET A 49 4.911 -1.724 4.860 1.00 25.52 N ATOM 781 CA MET A 49 5.082 -1.115 6.203 1.00 30.21 C ATOM 782 C MET A 49 6.296 -0.163 6.211 1.00 21.32 C ATOM 783 O MET A 49 6.177 0.999 6.605 1.00 41.43 O ATOM 784 CB MET A 49 5.295 -2.189 7.307 1.00 21.44 C ATOM 785 CG MET A 49 4.238 -3.290 7.396 1.00 4.32 C ATOM 786 SD MET A 49 4.697 -4.522 8.638 1.00 0.14 S ATOM 787 CE MET A 49 3.673 -5.925 8.210 1.00 44.32 C ATOM 0 H MET A 49 4.950 -2.743 4.862 1.00 25.52 H new ATOM 0 HA MET A 49 4.165 -0.566 6.418 1.00 30.21 H new ATOM 0 HB2 MET A 49 6.265 -2.659 7.144 1.00 21.44 H new ATOM 0 HB3 MET A 49 5.344 -1.683 8.271 1.00 21.44 H new ATOM 0 HG2 MET A 49 3.272 -2.853 7.650 1.00 4.32 H new ATOM 0 HG3 MET A 49 4.125 -3.771 6.424 1.00 4.32 H new ATOM 0 HE1 MET A 49 3.532 -6.554 9.089 1.00 44.32 H new ATOM 0 HE2 MET A 49 2.704 -5.574 7.856 1.00 44.32 H new ATOM 0 HE3 MET A 49 4.158 -6.503 7.424 1.00 44.32 H new ATOM 797 N VAL A 50 7.448 -0.680 5.740 1.00 14.54 N ATOM 798 CA VAL A 50 8.730 0.065 5.741 1.00 13.15 C ATOM 799 C VAL A 50 8.773 1.135 4.627 1.00 0.22 C ATOM 800 O VAL A 50 9.402 2.186 4.802 1.00 72.45 O ATOM 801 CB VAL A 50 9.976 -0.903 5.619 1.00 23.31 C ATOM 802 CG1 VAL A 50 9.968 -1.718 4.310 1.00 61.21 C ATOM 803 CG2 VAL A 50 11.317 -0.146 5.773 1.00 44.32 C ATOM 0 H VAL A 50 7.520 -1.620 5.350 1.00 14.54 H new ATOM 0 HA VAL A 50 8.790 0.573 6.703 1.00 13.15 H new ATOM 0 HB VAL A 50 9.885 -1.607 6.446 1.00 23.31 H new ATOM 0 HG11 VAL A 50 10.845 -2.365 4.279 1.00 61.21 H new ATOM 0 HG12 VAL A 50 9.066 -2.328 4.266 1.00 61.21 H new ATOM 0 HG13 VAL A 50 9.988 -1.038 3.458 1.00 61.21 H new ATOM 0 HG21 VAL A 50 12.145 -0.850 5.682 1.00 44.32 H new ATOM 0 HG22 VAL A 50 11.398 0.612 4.994 1.00 44.32 H new ATOM 0 HG23 VAL A 50 11.354 0.333 6.751 1.00 44.32 H new ATOM 813 N TYR A 51 8.068 0.869 3.505 1.00 25.34 N ATOM 814 CA TYR A 51 8.068 1.773 2.327 1.00 55.24 C ATOM 815 C TYR A 51 7.470 3.116 2.716 1.00 62.33 C ATOM 816 O TYR A 51 8.082 4.150 2.548 1.00 24.25 O ATOM 817 CB TYR A 51 7.247 1.186 1.145 1.00 31.11 C ATOM 818 CG TYR A 51 7.434 1.968 -0.177 1.00 11.55 C ATOM 819 CD1 TYR A 51 8.680 2.006 -0.808 1.00 55.12 C ATOM 820 CD2 TYR A 51 6.383 2.660 -0.777 1.00 25.43 C ATOM 821 CE1 TYR A 51 8.864 2.701 -1.983 1.00 1.33 C ATOM 822 CE2 TYR A 51 6.569 3.356 -1.957 1.00 55.34 C ATOM 823 CZ TYR A 51 7.806 3.373 -2.553 1.00 35.33 C ATOM 824 OH TYR A 51 7.993 4.062 -3.724 1.00 12.33 O ATOM 0 H TYR A 51 7.491 0.036 3.388 1.00 25.34 H new ATOM 0 HA TYR A 51 9.102 1.889 2.003 1.00 55.24 H new ATOM 0 HB2 TYR A 51 7.539 0.147 0.989 1.00 31.11 H new ATOM 0 HB3 TYR A 51 6.190 1.184 1.411 1.00 31.11 H new ATOM 0 HD1 TYR A 51 9.514 1.481 -0.366 1.00 55.12 H new ATOM 0 HD2 TYR A 51 5.408 2.652 -0.313 1.00 25.43 H new ATOM 0 HE1 TYR A 51 9.835 2.719 -2.456 1.00 1.33 H new ATOM 0 HE2 TYR A 51 5.743 3.885 -2.409 1.00 55.34 H new ATOM 0 HH TYR A 51 7.158 4.068 -4.237 1.00 12.33 H new ATOM 834 N ILE A 52 6.269 3.028 3.277 1.00 55.15 N ATOM 835 CA ILE A 52 5.457 4.175 3.697 1.00 62.33 C ATOM 836 C ILE A 52 6.112 4.905 4.889 1.00 44.44 C ATOM 837 O ILE A 52 6.070 6.139 4.983 1.00 71.35 O ATOM 838 CB ILE A 52 4.017 3.655 4.041 1.00 2.42 C ATOM 839 CG1 ILE A 52 3.393 2.962 2.777 1.00 43.31 C ATOM 840 CG2 ILE A 52 3.113 4.785 4.554 1.00 0.52 C ATOM 841 CD1 ILE A 52 2.183 2.088 3.047 1.00 61.12 C ATOM 0 H ILE A 52 5.816 2.132 3.459 1.00 55.15 H new ATOM 0 HA ILE A 52 5.388 4.906 2.892 1.00 62.33 H new ATOM 0 HB ILE A 52 4.097 2.924 4.846 1.00 2.42 H new ATOM 0 HG12 ILE A 52 3.110 3.735 2.062 1.00 43.31 H new ATOM 0 HG13 ILE A 52 4.161 2.353 2.301 1.00 43.31 H new ATOM 0 HG21 ILE A 52 2.125 4.385 4.781 1.00 0.52 H new ATOM 0 HG22 ILE A 52 3.546 5.216 5.456 1.00 0.52 H new ATOM 0 HG23 ILE A 52 3.025 5.556 3.789 1.00 0.52 H new ATOM 0 HD11 ILE A 52 1.829 1.657 2.110 1.00 61.12 H new ATOM 0 HD12 ILE A 52 2.458 1.287 3.734 1.00 61.12 H new ATOM 0 HD13 ILE A 52 1.391 2.691 3.491 1.00 61.12 H new ATOM 853 N ARG A 53 6.754 4.107 5.756 1.00 54.31 N ATOM 854 CA ARG A 53 7.562 4.596 6.892 1.00 4.33 C ATOM 855 C ARG A 53 8.757 5.458 6.415 1.00 71.50 C ATOM 856 O ARG A 53 9.160 6.406 7.093 1.00 43.42 O ATOM 857 CB ARG A 53 8.051 3.380 7.717 1.00 3.43 C ATOM 858 CG ARG A 53 9.036 3.713 8.859 1.00 12.21 C ATOM 859 CD ARG A 53 9.494 2.469 9.631 1.00 62.32 C ATOM 860 NE ARG A 53 10.560 2.792 10.588 1.00 10.10 N ATOM 861 CZ ARG A 53 10.861 2.090 11.684 1.00 12.44 C ATOM 862 NH1 ARG A 53 10.176 0.991 12.001 1.00 52.53 N ATOM 863 NH2 ARG A 53 11.873 2.491 12.441 1.00 33.54 N ATOM 0 H ARG A 53 6.728 3.089 5.690 1.00 54.31 H new ATOM 0 HA ARG A 53 6.942 5.238 7.517 1.00 4.33 H new ATOM 0 HB2 ARG A 53 7.183 2.877 8.143 1.00 3.43 H new ATOM 0 HB3 ARG A 53 8.530 2.671 7.041 1.00 3.43 H new ATOM 0 HG2 ARG A 53 9.908 4.219 8.445 1.00 12.21 H new ATOM 0 HG3 ARG A 53 8.562 4.410 9.550 1.00 12.21 H new ATOM 0 HD2 ARG A 53 8.646 2.036 10.162 1.00 62.32 H new ATOM 0 HD3 ARG A 53 9.850 1.715 8.929 1.00 62.32 H new ATOM 0 HE ARG A 53 11.119 3.624 10.400 1.00 10.10 H new ATOM 0 HH11 ARG A 53 9.411 0.677 11.404 1.00 52.53 H new ATOM 0 HH12 ARG A 53 10.417 0.465 12.841 1.00 52.53 H new ATOM 0 HH21 ARG A 53 12.406 3.322 12.182 1.00 33.54 H new ATOM 0 HH22 ARG A 53 12.119 1.969 13.282 1.00 33.54 H new ATOM 877 N ASP A 54 9.311 5.109 5.248 1.00 31.20 N ATOM 878 CA ASP A 54 10.472 5.812 4.656 1.00 31.43 C ATOM 879 C ASP A 54 10.026 6.969 3.732 1.00 52.34 C ATOM 880 O ASP A 54 10.647 8.039 3.709 1.00 34.05 O ATOM 881 CB ASP A 54 11.345 4.797 3.872 1.00 2.02 C ATOM 882 CG ASP A 54 12.544 5.441 3.153 1.00 45.15 C ATOM 883 OD1 ASP A 54 13.495 5.876 3.838 1.00 42.22 O ATOM 884 OD2 ASP A 54 12.528 5.548 1.914 1.00 22.13 O ATOM 0 H ASP A 54 8.972 4.332 4.681 1.00 31.20 H new ATOM 0 HA ASP A 54 11.058 6.250 5.464 1.00 31.43 H new ATOM 0 HB2 ASP A 54 11.711 4.037 4.562 1.00 2.02 H new ATOM 0 HB3 ASP A 54 10.723 4.287 3.137 1.00 2.02 H new ATOM 889 N GLU A 55 8.932 6.738 2.997 1.00 52.52 N ATOM 890 CA GLU A 55 8.477 7.622 1.903 1.00 61.32 C ATOM 891 C GLU A 55 7.709 8.829 2.465 1.00 31.52 C ATOM 892 O GLU A 55 8.170 9.973 2.350 1.00 41.32 O ATOM 893 CB GLU A 55 7.605 6.807 0.903 1.00 22.14 C ATOM 894 CG GLU A 55 7.213 7.539 -0.399 1.00 3.54 C ATOM 895 CD GLU A 55 8.404 7.957 -1.269 1.00 61.23 C ATOM 896 OE1 GLU A 55 9.159 7.065 -1.700 1.00 43.34 O ATOM 897 OE2 GLU A 55 8.590 9.168 -1.531 1.00 33.50 O ATOM 0 H GLU A 55 8.329 5.928 3.141 1.00 52.52 H new ATOM 0 HA GLU A 55 9.344 8.010 1.368 1.00 61.32 H new ATOM 0 HB2 GLU A 55 8.144 5.898 0.638 1.00 22.14 H new ATOM 0 HB3 GLU A 55 6.692 6.499 1.413 1.00 22.14 H new ATOM 0 HG2 GLU A 55 6.560 6.891 -0.984 1.00 3.54 H new ATOM 0 HG3 GLU A 55 6.635 8.427 -0.143 1.00 3.54 H new ATOM 904 N MET A 56 6.546 8.562 3.084 1.00 62.32 N ATOM 905 CA MET A 56 5.701 9.611 3.706 1.00 70.22 C ATOM 906 C MET A 56 6.095 9.844 5.172 1.00 42.31 C ATOM 907 O MET A 56 5.688 10.845 5.774 1.00 43.44 O ATOM 908 CB MET A 56 4.194 9.241 3.600 1.00 23.04 C ATOM 909 CG MET A 56 3.618 9.381 2.187 1.00 62.02 C ATOM 910 SD MET A 56 4.363 8.263 0.983 1.00 54.25 S ATOM 911 CE MET A 56 3.638 6.688 1.405 1.00 20.35 C ATOM 0 H MET A 56 6.162 7.621 3.170 1.00 62.32 H new ATOM 0 HA MET A 56 5.868 10.539 3.159 1.00 70.22 H new ATOM 0 HB2 MET A 56 4.058 8.213 3.937 1.00 23.04 H new ATOM 0 HB3 MET A 56 3.625 9.877 4.278 1.00 23.04 H new ATOM 0 HG2 MET A 56 2.544 9.198 2.223 1.00 62.02 H new ATOM 0 HG3 MET A 56 3.755 10.408 1.849 1.00 62.02 H new ATOM 0 HE1 MET A 56 4.350 5.891 1.192 1.00 20.35 H new ATOM 0 HE2 MET A 56 3.386 6.676 2.465 1.00 20.35 H new ATOM 0 HE3 MET A 56 2.734 6.534 0.816 1.00 20.35 H new ATOM 921 N GLY A 57 6.887 8.919 5.736 1.00 3.44 N ATOM 922 CA GLY A 57 7.334 9.018 7.123 1.00 53.22 C ATOM 923 C GLY A 57 6.239 8.651 8.115 1.00 12.44 C ATOM 924 O GLY A 57 6.083 9.306 9.141 1.00 71.35 O ATOM 0 H GLY A 57 7.229 8.093 5.245 1.00 3.44 H new ATOM 0 HA2 GLY A 57 8.191 8.361 7.273 1.00 53.22 H new ATOM 0 HA3 GLY A 57 7.673 10.035 7.321 1.00 53.22 H new ATOM 928 N VAL A 58 5.440 7.628 7.783 1.00 54.24 N ATOM 929 CA VAL A 58 4.399 7.095 8.689 1.00 42.31 C ATOM 930 C VAL A 58 4.377 5.553 8.574 1.00 1.45 C ATOM 931 O VAL A 58 4.294 5.018 7.474 1.00 4.52 O ATOM 932 CB VAL A 58 2.986 7.734 8.379 1.00 24.32 C ATOM 933 CG1 VAL A 58 2.596 7.591 6.892 1.00 4.45 C ATOM 934 CG2 VAL A 58 1.899 7.146 9.300 1.00 22.44 C ATOM 0 H VAL A 58 5.492 7.145 6.886 1.00 54.24 H new ATOM 0 HA VAL A 58 4.637 7.366 9.718 1.00 42.31 H new ATOM 0 HB VAL A 58 3.064 8.801 8.585 1.00 24.32 H new ATOM 0 HG11 VAL A 58 1.619 8.044 6.727 1.00 4.45 H new ATOM 0 HG12 VAL A 58 3.338 8.093 6.271 1.00 4.45 H new ATOM 0 HG13 VAL A 58 2.556 6.535 6.626 1.00 4.45 H new ATOM 0 HG21 VAL A 58 0.937 7.603 9.066 1.00 22.44 H new ATOM 0 HG22 VAL A 58 1.836 6.069 9.147 1.00 22.44 H new ATOM 0 HG23 VAL A 58 2.154 7.350 10.340 1.00 22.44 H new ATOM 944 N SER A 59 4.493 4.844 9.703 1.00 61.04 N ATOM 945 CA SER A 59 4.604 3.379 9.720 1.00 20.13 C ATOM 946 C SER A 59 3.235 2.728 9.989 1.00 24.02 C ATOM 947 O SER A 59 2.408 3.287 10.731 1.00 35.43 O ATOM 948 CB SER A 59 5.619 2.967 10.804 1.00 44.31 C ATOM 949 OG SER A 59 5.824 1.573 10.811 1.00 13.20 O ATOM 0 H SER A 59 4.513 5.268 10.630 1.00 61.04 H new ATOM 0 HA SER A 59 4.948 3.034 8.745 1.00 20.13 H new ATOM 0 HB2 SER A 59 6.567 3.475 10.629 1.00 44.31 H new ATOM 0 HB3 SER A 59 5.261 3.289 11.782 1.00 44.31 H new ATOM 0 HG SER A 59 6.474 1.341 11.507 1.00 13.20 H new ATOM 955 N ILE A 60 2.996 1.550 9.370 1.00 3.31 N ATOM 956 CA ILE A 60 1.860 0.680 9.710 1.00 23.00 C ATOM 957 C ILE A 60 2.293 -0.266 10.857 1.00 73.14 C ATOM 958 O ILE A 60 3.223 -1.063 10.670 1.00 60.42 O ATOM 959 CB ILE A 60 1.369 -0.200 8.497 1.00 64.32 C ATOM 960 CG1 ILE A 60 0.949 0.666 7.264 1.00 42.12 C ATOM 961 CG2 ILE A 60 0.190 -1.110 8.937 1.00 45.23 C ATOM 962 CD1 ILE A 60 -0.371 1.411 7.438 1.00 2.44 C ATOM 0 H ILE A 60 3.586 1.181 8.624 1.00 3.31 H new ATOM 0 HA ILE A 60 1.031 1.326 10.001 1.00 23.00 H new ATOM 0 HB ILE A 60 2.211 -0.818 8.186 1.00 64.32 H new ATOM 0 HG12 ILE A 60 1.737 1.391 7.059 1.00 42.12 H new ATOM 0 HG13 ILE A 60 0.875 0.020 6.390 1.00 42.12 H new ATOM 0 HG21 ILE A 60 -0.140 -1.713 8.091 1.00 45.23 H new ATOM 0 HG22 ILE A 60 0.518 -1.766 9.743 1.00 45.23 H new ATOM 0 HG23 ILE A 60 -0.637 -0.491 9.286 1.00 45.23 H new ATOM 0 HD11 ILE A 60 -0.586 1.986 6.537 1.00 2.44 H new ATOM 0 HD12 ILE A 60 -1.173 0.694 7.611 1.00 2.44 H new ATOM 0 HD13 ILE A 60 -0.298 2.086 8.291 1.00 2.44 H new ATOM 974 N PRO A 61 1.646 -0.167 12.054 1.00 0.31 N ATOM 975 CA PRO A 61 1.886 -1.105 13.181 1.00 34.22 C ATOM 976 C PRO A 61 1.194 -2.477 12.984 1.00 35.15 C ATOM 977 O PRO A 61 0.330 -2.629 12.111 1.00 54.43 O ATOM 978 CB PRO A 61 1.292 -0.327 14.371 1.00 32.01 C ATOM 979 CG PRO A 61 0.189 0.497 13.786 1.00 52.24 C ATOM 980 CD PRO A 61 0.663 0.902 12.417 1.00 52.43 C ATOM 0 HA PRO A 61 2.936 -1.370 13.301 1.00 34.22 H new ATOM 0 HB2 PRO A 61 0.914 -1.005 15.136 1.00 32.01 H new ATOM 0 HB3 PRO A 61 2.045 0.302 14.846 1.00 32.01 H new ATOM 0 HG2 PRO A 61 -0.737 -0.075 13.726 1.00 52.24 H new ATOM 0 HG3 PRO A 61 -0.016 1.371 14.404 1.00 52.24 H new ATOM 0 HD2 PRO A 61 -0.161 0.948 11.705 1.00 52.43 H new ATOM 0 HD3 PRO A 61 1.129 1.887 12.429 1.00 52.43 H new ATOM 988 N SER A 62 1.572 -3.464 13.831 1.00 74.52 N ATOM 989 CA SER A 62 1.027 -4.841 13.769 1.00 11.24 C ATOM 990 C SER A 62 -0.473 -4.890 14.137 1.00 71.25 C ATOM 991 O SER A 62 -1.211 -5.769 13.672 1.00 54.24 O ATOM 992 CB SER A 62 1.842 -5.776 14.681 1.00 0.33 C ATOM 993 OG SER A 62 1.919 -5.258 16.001 1.00 45.50 O ATOM 0 H SER A 62 2.259 -3.329 14.572 1.00 74.52 H new ATOM 0 HA SER A 62 1.114 -5.184 12.738 1.00 11.24 H new ATOM 0 HB2 SER A 62 1.381 -6.764 14.700 1.00 0.33 H new ATOM 0 HB3 SER A 62 2.846 -5.901 14.276 1.00 0.33 H new ATOM 0 HG SER A 62 2.440 -5.869 16.563 1.00 45.50 H new ATOM 999 N THR A 63 -0.920 -3.923 14.957 1.00 30.32 N ATOM 1000 CA THR A 63 -2.335 -3.798 15.357 1.00 41.11 C ATOM 1001 C THR A 63 -3.206 -3.313 14.168 1.00 45.04 C ATOM 1002 O THR A 63 -4.440 -3.331 14.227 1.00 43.44 O ATOM 1003 CB THR A 63 -2.469 -2.839 16.588 1.00 52.14 C ATOM 1004 OG1 THR A 63 -3.793 -2.897 17.134 1.00 52.15 O ATOM 1005 CG2 THR A 63 -2.124 -1.385 16.239 1.00 30.33 C ATOM 0 H THR A 63 -0.314 -3.208 15.360 1.00 30.32 H new ATOM 0 HA THR A 63 -2.700 -4.782 15.651 1.00 41.11 H new ATOM 0 HB THR A 63 -1.749 -3.185 17.330 1.00 52.14 H new ATOM 0 HG1 THR A 63 -4.440 -3.034 16.410 1.00 52.15 H new ATOM 0 HG21 THR A 63 -2.233 -0.762 17.127 1.00 30.33 H new ATOM 0 HG22 THR A 63 -1.096 -1.331 15.882 1.00 30.33 H new ATOM 0 HG23 THR A 63 -2.798 -1.028 15.460 1.00 30.33 H new ATOM 1013 N HIS A 64 -2.538 -2.866 13.081 1.00 44.04 N ATOM 1014 CA HIS A 64 -3.191 -2.410 11.840 1.00 52.45 C ATOM 1015 C HIS A 64 -2.866 -3.325 10.655 1.00 64.41 C ATOM 1016 O HIS A 64 -3.116 -2.957 9.499 1.00 71.52 O ATOM 1017 CB HIS A 64 -2.816 -0.932 11.545 1.00 70.34 C ATOM 1018 CG HIS A 64 -3.482 0.072 12.463 1.00 52.11 C ATOM 1019 ND1 HIS A 64 -4.380 -0.268 13.462 1.00 54.11 N ATOM 1020 CD2 HIS A 64 -3.386 1.416 12.496 1.00 52.14 C ATOM 1021 CE1 HIS A 64 -4.794 0.823 14.066 1.00 55.34 C ATOM 1022 NE2 HIS A 64 -4.211 1.863 13.498 1.00 64.23 N ATOM 0 H HIS A 64 -1.520 -2.812 13.043 1.00 44.04 H new ATOM 0 HA HIS A 64 -4.270 -2.464 11.987 1.00 52.45 H new ATOM 0 HB2 HIS A 64 -1.735 -0.820 11.626 1.00 70.34 H new ATOM 0 HB3 HIS A 64 -3.084 -0.699 10.515 1.00 70.34 H new ATOM 0 HD1 HIS A 64 -4.674 -1.217 13.693 1.00 54.11 H new ATOM 0 HD2 HIS A 64 -2.773 2.029 11.852 1.00 52.14 H new ATOM 0 HE1 HIS A 64 -5.493 0.863 14.888 1.00 55.34 H new ATOM 1031 N ILE A 65 -2.340 -4.531 10.925 1.00 72.11 N ATOM 1032 CA ILE A 65 -2.141 -5.533 9.869 1.00 71.12 C ATOM 1033 C ILE A 65 -3.415 -6.355 9.760 1.00 21.20 C ATOM 1034 O ILE A 65 -3.619 -7.335 10.487 1.00 0.12 O ATOM 1035 CB ILE A 65 -0.890 -6.444 10.129 1.00 71.33 C ATOM 1036 CG1 ILE A 65 0.379 -5.558 10.264 1.00 30.55 C ATOM 1037 CG2 ILE A 65 -0.713 -7.506 9.015 1.00 4.11 C ATOM 1038 CD1 ILE A 65 0.599 -4.595 9.110 1.00 74.41 C ATOM 0 H ILE A 65 -2.048 -4.832 11.855 1.00 72.11 H new ATOM 0 HA ILE A 65 -1.937 -5.024 8.927 1.00 71.12 H new ATOM 0 HB ILE A 65 -1.046 -6.987 11.061 1.00 71.33 H new ATOM 0 HG12 ILE A 65 0.311 -4.987 11.190 1.00 30.55 H new ATOM 0 HG13 ILE A 65 1.251 -6.205 10.352 1.00 30.55 H new ATOM 0 HG21 ILE A 65 0.163 -8.117 9.231 1.00 4.11 H new ATOM 0 HG22 ILE A 65 -1.597 -8.142 8.975 1.00 4.11 H new ATOM 0 HG23 ILE A 65 -0.580 -7.007 8.055 1.00 4.11 H new ATOM 0 HD11 ILE A 65 1.506 -4.017 9.287 1.00 74.41 H new ATOM 0 HD12 ILE A 65 0.702 -5.157 8.182 1.00 74.41 H new ATOM 0 HD13 ILE A 65 -0.253 -3.919 9.033 1.00 74.41 H new ATOM 1050 N THR A 66 -4.299 -5.894 8.870 1.00 53.32 N ATOM 1051 CA THR A 66 -5.590 -6.517 8.639 1.00 30.34 C ATOM 1052 C THR A 66 -6.069 -6.216 7.201 1.00 21.51 C ATOM 1053 O THR A 66 -5.544 -5.310 6.535 1.00 4.12 O ATOM 1054 CB THR A 66 -6.623 -6.051 9.716 1.00 3.03 C ATOM 1055 OG1 THR A 66 -7.865 -6.744 9.556 1.00 70.35 O ATOM 1056 CG2 THR A 66 -6.853 -4.537 9.684 1.00 22.14 C ATOM 0 H THR A 66 -4.130 -5.072 8.290 1.00 53.32 H new ATOM 0 HA THR A 66 -5.494 -7.598 8.736 1.00 30.34 H new ATOM 0 HB THR A 66 -6.199 -6.295 10.690 1.00 3.03 H new ATOM 0 HG1 THR A 66 -8.499 -6.441 10.239 1.00 70.35 H new ATOM 0 HG21 THR A 66 -7.578 -4.263 10.450 1.00 22.14 H new ATOM 0 HG22 THR A 66 -5.912 -4.022 9.875 1.00 22.14 H new ATOM 0 HG23 THR A 66 -7.233 -4.247 8.704 1.00 22.14 H new ATOM 1064 N GLY A 67 -7.088 -6.969 6.756 1.00 2.24 N ATOM 1065 CA GLY A 67 -7.556 -6.934 5.373 1.00 54.02 C ATOM 1066 C GLY A 67 -8.085 -5.577 4.909 1.00 14.32 C ATOM 1067 O GLY A 67 -7.715 -5.099 3.836 1.00 21.44 O ATOM 0 H GLY A 67 -7.606 -7.617 7.350 1.00 2.24 H new ATOM 0 HA2 GLY A 67 -6.736 -7.231 4.719 1.00 54.02 H new ATOM 0 HA3 GLY A 67 -8.345 -7.676 5.252 1.00 54.02 H new ATOM 1071 N LYS A 68 -8.916 -4.935 5.749 1.00 3.13 N ATOM 1072 CA LYS A 68 -9.590 -3.658 5.411 1.00 10.15 C ATOM 1073 C LYS A 68 -8.595 -2.524 5.060 1.00 21.35 C ATOM 1074 O LYS A 68 -8.940 -1.606 4.315 1.00 71.41 O ATOM 1075 CB LYS A 68 -10.496 -3.200 6.576 1.00 51.24 C ATOM 1076 CG LYS A 68 -9.746 -2.963 7.913 1.00 72.32 C ATOM 1077 CD LYS A 68 -10.585 -2.186 8.953 1.00 31.13 C ATOM 1078 CE LYS A 68 -11.876 -2.905 9.347 1.00 11.42 C ATOM 1079 NZ LYS A 68 -11.609 -4.269 9.869 1.00 63.12 N ATOM 0 H LYS A 68 -9.142 -5.282 6.681 1.00 3.13 H new ATOM 0 HA LYS A 68 -10.190 -3.855 4.523 1.00 10.15 H new ATOM 0 HB2 LYS A 68 -11.000 -2.278 6.288 1.00 51.24 H new ATOM 0 HB3 LYS A 68 -11.270 -3.950 6.735 1.00 51.24 H new ATOM 0 HG2 LYS A 68 -9.457 -3.925 8.335 1.00 72.32 H new ATOM 0 HG3 LYS A 68 -8.826 -2.413 7.714 1.00 72.32 H new ATOM 0 HD2 LYS A 68 -9.982 -2.021 9.846 1.00 31.13 H new ATOM 0 HD3 LYS A 68 -10.833 -1.204 8.550 1.00 31.13 H new ATOM 0 HE2 LYS A 68 -12.400 -2.322 10.104 1.00 11.42 H new ATOM 0 HE3 LYS A 68 -12.535 -2.969 8.481 1.00 11.42 H new ATOM 0 HZ1 LYS A 68 -12.492 -4.680 10.235 1.00 63.12 H new ATOM 0 HZ2 LYS A 68 -11.240 -4.868 9.103 1.00 63.12 H new ATOM 0 HZ3 LYS A 68 -10.908 -4.216 10.635 1.00 63.12 H new ATOM 1093 N TYR A 69 -7.376 -2.597 5.615 1.00 45.13 N ATOM 1094 CA TYR A 69 -6.351 -1.549 5.450 1.00 41.21 C ATOM 1095 C TYR A 69 -5.440 -1.821 4.252 1.00 63.50 C ATOM 1096 O TYR A 69 -4.813 -0.897 3.741 1.00 34.03 O ATOM 1097 CB TYR A 69 -5.507 -1.409 6.741 1.00 41.31 C ATOM 1098 CG TYR A 69 -6.280 -0.884 7.978 1.00 50.45 C ATOM 1099 CD1 TYR A 69 -7.405 -0.052 7.854 1.00 42.44 C ATOM 1100 CD2 TYR A 69 -5.868 -1.207 9.268 1.00 72.54 C ATOM 1101 CE1 TYR A 69 -8.077 0.418 8.962 1.00 32.22 C ATOM 1102 CE2 TYR A 69 -6.542 -0.736 10.378 1.00 41.12 C ATOM 1103 CZ TYR A 69 -7.641 0.075 10.218 1.00 14.11 C ATOM 1104 OH TYR A 69 -8.302 0.546 11.329 1.00 64.01 O ATOM 0 H TYR A 69 -7.071 -3.382 6.190 1.00 45.13 H new ATOM 0 HA TYR A 69 -6.874 -0.612 5.260 1.00 41.21 H new ATOM 0 HB2 TYR A 69 -5.080 -2.382 6.985 1.00 41.31 H new ATOM 0 HB3 TYR A 69 -4.673 -0.736 6.540 1.00 41.31 H new ATOM 0 HD1 TYR A 69 -7.751 0.225 6.869 1.00 42.44 H new ATOM 0 HD2 TYR A 69 -5.003 -1.839 9.404 1.00 72.54 H new ATOM 0 HE1 TYR A 69 -8.942 1.053 8.843 1.00 32.22 H new ATOM 0 HE2 TYR A 69 -6.207 -1.004 11.369 1.00 41.12 H new ATOM 0 HH TYR A 69 -7.864 0.208 12.138 1.00 64.01 H new ATOM 1114 N PHE A 70 -5.357 -3.085 3.811 1.00 33.14 N ATOM 1115 CA PHE A 70 -4.443 -3.501 2.711 1.00 21.20 C ATOM 1116 C PHE A 70 -5.207 -4.074 1.504 1.00 73.14 C ATOM 1117 O PHE A 70 -4.598 -4.748 0.663 1.00 34.13 O ATOM 1118 CB PHE A 70 -3.406 -4.537 3.234 1.00 13.22 C ATOM 1119 CG PHE A 70 -2.343 -3.950 4.170 1.00 53.31 C ATOM 1120 CD1 PHE A 70 -1.158 -3.416 3.650 1.00 54.43 C ATOM 1121 CD2 PHE A 70 -2.528 -3.927 5.551 1.00 34.01 C ATOM 1122 CE1 PHE A 70 -0.195 -2.886 4.485 1.00 70.11 C ATOM 1123 CE2 PHE A 70 -1.567 -3.397 6.381 1.00 2.10 C ATOM 1124 CZ PHE A 70 -0.400 -2.878 5.848 1.00 21.03 C ATOM 0 H PHE A 70 -5.912 -3.849 4.196 1.00 33.14 H new ATOM 0 HA PHE A 70 -3.920 -2.608 2.369 1.00 21.20 H new ATOM 0 HB2 PHE A 70 -3.937 -5.331 3.759 1.00 13.22 H new ATOM 0 HB3 PHE A 70 -2.908 -4.997 2.381 1.00 13.22 H new ATOM 0 HD1 PHE A 70 -0.995 -3.419 2.582 1.00 54.43 H new ATOM 0 HD2 PHE A 70 -3.436 -4.330 5.975 1.00 34.01 H new ATOM 0 HE1 PHE A 70 0.716 -2.479 4.072 1.00 70.11 H new ATOM 0 HE2 PHE A 70 -1.724 -3.386 7.450 1.00 2.10 H new ATOM 0 HZ PHE A 70 0.353 -2.465 6.503 1.00 21.03 H new ATOM 1134 N LYS A 71 -6.526 -3.795 1.405 1.00 72.45 N ATOM 1135 CA LYS A 71 -7.352 -4.244 0.249 1.00 21.51 C ATOM 1136 C LYS A 71 -6.709 -3.831 -1.083 1.00 23.20 C ATOM 1137 O LYS A 71 -6.503 -4.658 -1.959 1.00 1.01 O ATOM 1138 CB LYS A 71 -8.773 -3.654 0.301 1.00 51.04 C ATOM 1139 CG LYS A 71 -9.668 -4.160 1.440 1.00 12.54 C ATOM 1140 CD LYS A 71 -10.980 -3.353 1.520 1.00 24.25 C ATOM 1141 CE LYS A 71 -11.776 -3.357 0.198 1.00 14.23 C ATOM 1142 NZ LYS A 71 -12.930 -2.421 0.233 1.00 33.13 N ATOM 0 H LYS A 71 -7.044 -3.264 2.105 1.00 72.45 H new ATOM 0 HA LYS A 71 -7.409 -5.331 0.315 1.00 21.51 H new ATOM 0 HB2 LYS A 71 -8.693 -2.570 0.382 1.00 51.04 H new ATOM 0 HB3 LYS A 71 -9.269 -3.867 -0.646 1.00 51.04 H new ATOM 0 HG2 LYS A 71 -9.896 -5.215 1.286 1.00 12.54 H new ATOM 0 HG3 LYS A 71 -9.133 -4.085 2.387 1.00 12.54 H new ATOM 0 HD2 LYS A 71 -11.604 -3.764 2.314 1.00 24.25 H new ATOM 0 HD3 LYS A 71 -10.750 -2.324 1.795 1.00 24.25 H new ATOM 0 HE2 LYS A 71 -11.114 -3.084 -0.623 1.00 14.23 H new ATOM 0 HE3 LYS A 71 -12.135 -4.366 -0.005 1.00 14.23 H new ATOM 0 HZ1 LYS A 71 -13.434 -2.458 -0.676 1.00 33.13 H new ATOM 0 HZ2 LYS A 71 -13.577 -2.696 1.000 1.00 33.13 H new ATOM 0 HZ3 LYS A 71 -12.587 -1.453 0.400 1.00 33.13 H new ATOM 1156 N ASP A 72 -6.380 -2.529 -1.171 1.00 22.41 N ATOM 1157 CA ASP A 72 -5.869 -1.879 -2.390 1.00 2.23 C ATOM 1158 C ASP A 72 -5.377 -0.466 -2.039 1.00 42.41 C ATOM 1159 O ASP A 72 -5.087 -0.185 -0.873 1.00 15.55 O ATOM 1160 CB ASP A 72 -6.960 -1.858 -3.504 1.00 40.21 C ATOM 1161 CG ASP A 72 -8.224 -1.094 -3.097 1.00 53.02 C ATOM 1162 OD1 ASP A 72 -9.088 -1.681 -2.412 1.00 53.22 O ATOM 1163 OD2 ASP A 72 -8.349 0.103 -3.433 1.00 74.14 O ATOM 0 H ASP A 72 -6.464 -1.888 -0.382 1.00 22.41 H new ATOM 0 HA ASP A 72 -5.028 -2.448 -2.786 1.00 2.23 H new ATOM 0 HB2 ASP A 72 -6.543 -1.405 -4.403 1.00 40.21 H new ATOM 0 HB3 ASP A 72 -7.229 -2.883 -3.759 1.00 40.21 H new ATOM 1168 N LEU A 73 -5.251 0.412 -3.056 1.00 63.21 N ATOM 1169 CA LEU A 73 -4.712 1.771 -2.871 1.00 1.43 C ATOM 1170 C LEU A 73 -5.620 2.611 -1.986 1.00 72.22 C ATOM 1171 O LEU A 73 -5.144 3.303 -1.097 1.00 31.35 O ATOM 1172 CB LEU A 73 -4.510 2.513 -4.206 1.00 42.04 C ATOM 1173 CG LEU A 73 -3.818 3.912 -4.100 1.00 61.42 C ATOM 1174 CD1 LEU A 73 -2.449 3.796 -3.377 1.00 64.04 C ATOM 1175 CD2 LEU A 73 -3.661 4.551 -5.496 1.00 52.44 C ATOM 0 H LEU A 73 -5.517 0.200 -4.017 1.00 63.21 H new ATOM 0 HA LEU A 73 -3.741 1.641 -2.392 1.00 1.43 H new ATOM 0 HB2 LEU A 73 -3.915 1.882 -4.866 1.00 42.04 H new ATOM 0 HB3 LEU A 73 -5.483 2.643 -4.680 1.00 42.04 H new ATOM 0 HG LEU A 73 -4.455 4.565 -3.504 1.00 61.42 H new ATOM 0 HD11 LEU A 73 -1.986 4.781 -3.315 1.00 64.04 H new ATOM 0 HD12 LEU A 73 -2.600 3.402 -2.372 1.00 64.04 H new ATOM 0 HD13 LEU A 73 -1.798 3.124 -3.936 1.00 64.04 H new ATOM 0 HD21 LEU A 73 -3.178 5.523 -5.399 1.00 52.44 H new ATOM 0 HD22 LEU A 73 -3.051 3.904 -6.126 1.00 52.44 H new ATOM 0 HD23 LEU A 73 -4.644 4.678 -5.951 1.00 52.44 H new ATOM 1187 N ASN A 74 -6.921 2.522 -2.248 1.00 74.12 N ATOM 1188 CA ASN A 74 -7.935 3.332 -1.557 1.00 73.54 C ATOM 1189 C ASN A 74 -8.025 2.939 -0.076 1.00 52.23 C ATOM 1190 O ASN A 74 -8.202 3.799 0.780 1.00 61.24 O ATOM 1191 CB ASN A 74 -9.311 3.198 -2.246 1.00 42.42 C ATOM 1192 CG ASN A 74 -9.286 3.663 -3.707 1.00 44.34 C ATOM 1193 OD1 ASN A 74 -9.409 4.855 -3.999 1.00 15.44 O ATOM 1194 ND2 ASN A 74 -9.135 2.729 -4.637 1.00 54.11 N ATOM 0 H ASN A 74 -7.308 1.887 -2.946 1.00 74.12 H new ATOM 0 HA ASN A 74 -7.631 4.377 -1.614 1.00 73.54 H new ATOM 0 HB2 ASN A 74 -9.634 2.158 -2.205 1.00 42.42 H new ATOM 0 HB3 ASN A 74 -10.048 3.783 -1.695 1.00 42.42 H new ATOM 0 HD21 ASN A 74 -9.118 2.989 -5.623 1.00 54.11 H new ATOM 0 HD22 ASN A 74 -9.036 1.751 -4.366 1.00 54.11 H new ATOM 1201 N ALA A 75 -7.858 1.630 0.202 1.00 2.11 N ATOM 1202 CA ALA A 75 -7.806 1.100 1.581 1.00 42.42 C ATOM 1203 C ALA A 75 -6.583 1.657 2.344 1.00 40.12 C ATOM 1204 O ALA A 75 -6.718 2.228 3.435 1.00 12.40 O ATOM 1205 CB ALA A 75 -7.778 -0.431 1.539 1.00 24.04 C ATOM 0 H ALA A 75 -7.756 0.914 -0.517 1.00 2.11 H new ATOM 0 HA ALA A 75 -8.698 1.423 2.118 1.00 42.42 H new ATOM 0 HB1 ALA A 75 -7.740 -0.822 2.556 1.00 24.04 H new ATOM 0 HB2 ALA A 75 -8.676 -0.798 1.043 1.00 24.04 H new ATOM 0 HB3 ALA A 75 -6.898 -0.764 0.989 1.00 24.04 H new ATOM 1211 N ILE A 76 -5.401 1.507 1.720 1.00 35.14 N ATOM 1212 CA ILE A 76 -4.118 2.013 2.252 1.00 62.22 C ATOM 1213 C ILE A 76 -4.140 3.543 2.352 1.00 62.11 C ATOM 1214 O ILE A 76 -3.562 4.091 3.269 1.00 13.15 O ATOM 1215 CB ILE A 76 -2.893 1.504 1.384 1.00 5.04 C ATOM 1216 CG1 ILE A 76 -2.759 -0.047 1.513 1.00 51.14 C ATOM 1217 CG2 ILE A 76 -1.564 2.200 1.785 1.00 0.33 C ATOM 1218 CD1 ILE A 76 -1.650 -0.680 0.697 1.00 63.50 C ATOM 0 H ILE A 76 -5.306 1.028 0.825 1.00 35.14 H new ATOM 0 HA ILE A 76 -3.987 1.614 3.258 1.00 62.22 H new ATOM 0 HB ILE A 76 -3.091 1.766 0.344 1.00 5.04 H new ATOM 0 HG12 ILE A 76 -2.599 -0.294 2.563 1.00 51.14 H new ATOM 0 HG13 ILE A 76 -3.706 -0.501 1.220 1.00 51.14 H new ATOM 0 HG21 ILE A 76 -0.753 1.820 1.164 1.00 0.33 H new ATOM 0 HG22 ILE A 76 -1.659 3.276 1.640 1.00 0.33 H new ATOM 0 HG23 ILE A 76 -1.347 1.993 2.833 1.00 0.33 H new ATOM 0 HD11 ILE A 76 -1.647 -1.758 0.861 1.00 63.50 H new ATOM 0 HD12 ILE A 76 -1.814 -0.474 -0.361 1.00 63.50 H new ATOM 0 HD13 ILE A 76 -0.690 -0.264 1.003 1.00 63.50 H new ATOM 1230 N SER A 77 -4.889 4.204 1.450 1.00 43.51 N ATOM 1231 CA SER A 77 -4.998 5.674 1.423 1.00 54.10 C ATOM 1232 C SER A 77 -5.755 6.169 2.661 1.00 55.34 C ATOM 1233 O SER A 77 -5.296 7.079 3.337 1.00 53.13 O ATOM 1234 CB SER A 77 -5.681 6.170 0.124 1.00 43.41 C ATOM 1235 OG SER A 77 -5.679 7.590 0.040 1.00 14.53 O ATOM 0 H SER A 77 -5.432 3.737 0.724 1.00 43.51 H new ATOM 0 HA SER A 77 -3.990 6.089 1.438 1.00 54.10 H new ATOM 0 HB2 SER A 77 -5.165 5.753 -0.741 1.00 43.41 H new ATOM 0 HB3 SER A 77 -6.707 5.804 0.090 1.00 43.41 H new ATOM 0 HG SER A 77 -6.116 7.869 -0.792 1.00 14.53 H new ATOM 1241 N ARG A 78 -6.885 5.518 2.983 1.00 15.51 N ATOM 1242 CA ARG A 78 -7.701 5.900 4.161 1.00 72.50 C ATOM 1243 C ARG A 78 -6.898 5.720 5.449 1.00 62.23 C ATOM 1244 O ARG A 78 -6.953 6.560 6.352 1.00 15.41 O ATOM 1245 CB ARG A 78 -9.016 5.089 4.237 1.00 72.34 C ATOM 1246 CG ARG A 78 -9.953 5.277 3.031 1.00 34.32 C ATOM 1247 CD ARG A 78 -10.323 6.749 2.764 1.00 43.33 C ATOM 1248 NE ARG A 78 -11.185 6.892 1.578 1.00 72.20 N ATOM 1249 CZ ARG A 78 -11.406 8.039 0.921 1.00 40.24 C ATOM 1250 NH1 ARG A 78 -10.832 9.170 1.317 1.00 63.32 N ATOM 1251 NH2 ARG A 78 -12.198 8.041 -0.139 1.00 30.22 N ATOM 0 H ARG A 78 -7.257 4.730 2.453 1.00 15.51 H new ATOM 0 HA ARG A 78 -7.965 6.952 4.047 1.00 72.50 H new ATOM 0 HB2 ARG A 78 -8.771 4.031 4.329 1.00 72.34 H new ATOM 0 HB3 ARG A 78 -9.551 5.372 5.144 1.00 72.34 H new ATOM 0 HG2 ARG A 78 -9.476 4.864 2.142 1.00 34.32 H new ATOM 0 HG3 ARG A 78 -10.866 4.706 3.198 1.00 34.32 H new ATOM 0 HD2 ARG A 78 -10.834 7.159 3.635 1.00 43.33 H new ATOM 0 HD3 ARG A 78 -9.413 7.332 2.624 1.00 43.33 H new ATOM 0 HE ARG A 78 -11.650 6.053 1.230 1.00 72.20 H new ATOM 0 HH11 ARG A 78 -10.215 9.172 2.129 1.00 63.32 H new ATOM 0 HH12 ARG A 78 -11.008 10.037 0.809 1.00 63.32 H new ATOM 0 HH21 ARG A 78 -12.635 7.174 -0.451 1.00 30.22 H new ATOM 0 HH22 ARG A 78 -12.371 8.910 -0.645 1.00 30.22 H new ATOM 1265 N THR A 79 -6.113 4.640 5.479 1.00 45.33 N ATOM 1266 CA THR A 79 -5.285 4.288 6.630 1.00 33.01 C ATOM 1267 C THR A 79 -4.112 5.260 6.790 1.00 14.33 C ATOM 1268 O THR A 79 -3.903 5.812 7.862 1.00 20.13 O ATOM 1269 CB THR A 79 -4.758 2.828 6.513 1.00 53.35 C ATOM 1270 OG1 THR A 79 -5.849 1.974 6.159 1.00 10.52 O ATOM 1271 CG2 THR A 79 -4.135 2.331 7.834 1.00 71.24 C ATOM 0 H THR A 79 -6.035 3.984 4.702 1.00 45.33 H new ATOM 0 HA THR A 79 -5.914 4.361 7.517 1.00 33.01 H new ATOM 0 HB THR A 79 -3.980 2.807 5.750 1.00 53.35 H new ATOM 0 HG1 THR A 79 -6.064 1.388 6.915 1.00 10.52 H new ATOM 0 HG21 THR A 79 -3.781 1.308 7.707 1.00 71.24 H new ATOM 0 HG22 THR A 79 -3.298 2.974 8.106 1.00 71.24 H new ATOM 0 HG23 THR A 79 -4.886 2.359 8.624 1.00 71.24 H new ATOM 1279 N VAL A 80 -3.406 5.512 5.694 1.00 41.23 N ATOM 1280 CA VAL A 80 -2.155 6.282 5.715 1.00 40.32 C ATOM 1281 C VAL A 80 -2.430 7.772 6.016 1.00 11.13 C ATOM 1282 O VAL A 80 -1.604 8.439 6.641 1.00 63.43 O ATOM 1283 CB VAL A 80 -1.357 6.094 4.369 1.00 43.11 C ATOM 1284 CG1 VAL A 80 -1.995 6.845 3.186 1.00 62.54 C ATOM 1285 CG2 VAL A 80 0.117 6.476 4.526 1.00 63.24 C ATOM 0 H VAL A 80 -3.679 5.192 4.765 1.00 41.23 H new ATOM 0 HA VAL A 80 -1.529 5.898 6.521 1.00 40.32 H new ATOM 0 HB VAL A 80 -1.409 5.031 4.135 1.00 43.11 H new ATOM 0 HG11 VAL A 80 -1.402 6.678 2.287 1.00 62.54 H new ATOM 0 HG12 VAL A 80 -3.008 6.477 3.026 1.00 62.54 H new ATOM 0 HG13 VAL A 80 -2.027 7.912 3.407 1.00 62.54 H new ATOM 0 HG21 VAL A 80 0.633 6.333 3.577 1.00 63.24 H new ATOM 0 HG22 VAL A 80 0.192 7.521 4.826 1.00 63.24 H new ATOM 0 HG23 VAL A 80 0.577 5.846 5.288 1.00 63.24 H new ATOM 1295 N GLU A 81 -3.617 8.268 5.600 1.00 54.14 N ATOM 1296 CA GLU A 81 -4.022 9.659 5.860 1.00 12.25 C ATOM 1297 C GLU A 81 -4.456 9.850 7.316 1.00 14.24 C ATOM 1298 O GLU A 81 -4.032 10.816 7.964 1.00 75.52 O ATOM 1299 CB GLU A 81 -5.142 10.101 4.895 1.00 34.34 C ATOM 1300 CG GLU A 81 -4.750 10.100 3.402 1.00 12.35 C ATOM 1301 CD GLU A 81 -3.472 10.896 3.085 1.00 35.21 C ATOM 1302 OE1 GLU A 81 -3.524 12.145 3.057 1.00 12.33 O ATOM 1303 OE2 GLU A 81 -2.404 10.278 2.883 1.00 5.10 O ATOM 0 H GLU A 81 -4.307 7.723 5.084 1.00 54.14 H new ATOM 0 HA GLU A 81 -3.152 10.292 5.684 1.00 12.25 H new ATOM 0 HB2 GLU A 81 -6.000 9.443 5.031 1.00 34.34 H new ATOM 0 HB3 GLU A 81 -5.464 11.105 5.171 1.00 34.34 H new ATOM 0 HG2 GLU A 81 -4.613 9.069 3.074 1.00 12.35 H new ATOM 0 HG3 GLU A 81 -5.575 10.512 2.821 1.00 12.35 H new ATOM 1310 N GLN A 82 -5.276 8.911 7.838 1.00 72.42 N ATOM 1311 CA GLN A 82 -5.774 9.001 9.226 1.00 52.42 C ATOM 1312 C GLN A 82 -4.612 8.875 10.218 1.00 72.11 C ATOM 1313 O GLN A 82 -4.605 9.553 11.222 1.00 54.30 O ATOM 1314 CB GLN A 82 -6.885 7.954 9.536 1.00 14.21 C ATOM 1315 CG GLN A 82 -6.429 6.482 9.570 1.00 53.33 C ATOM 1316 CD GLN A 82 -7.546 5.488 9.889 1.00 33.31 C ATOM 1317 OE1 GLN A 82 -7.435 4.265 9.375 1.00 4.41 O flip ATOM 1318 NE2 GLN A 82 -8.489 5.811 10.609 1.00 33.22 N flip ATOM 0 H GLN A 82 -5.603 8.092 7.325 1.00 72.42 H new ATOM 0 HA GLN A 82 -6.234 9.983 9.339 1.00 52.42 H new ATOM 0 HB2 GLN A 82 -7.330 8.199 10.500 1.00 14.21 H new ATOM 0 HB3 GLN A 82 -7.671 8.054 8.788 1.00 14.21 H new ATOM 0 HG2 GLN A 82 -5.994 6.225 8.604 1.00 53.33 H new ATOM 0 HG3 GLN A 82 -5.639 6.375 10.313 1.00 53.33 H new ATOM 0 HE21 GLN A 82 -8.542 6.757 10.986 1.00 33.22 H new ATOM 0 HE22 GLN A 82 -9.218 5.133 10.829 1.00 33.22 H new ATOM 1327 N LEU A 83 -3.618 8.033 9.893 1.00 63.10 N ATOM 1328 CA LEU A 83 -2.440 7.808 10.762 1.00 62.11 C ATOM 1329 C LEU A 83 -1.600 9.068 10.920 1.00 4.22 C ATOM 1330 O LEU A 83 -1.046 9.291 11.980 1.00 64.12 O ATOM 1331 CB LEU A 83 -1.564 6.657 10.238 1.00 34.11 C ATOM 1332 CG LEU A 83 -2.173 5.234 10.326 1.00 71.24 C ATOM 1333 CD1 LEU A 83 -1.222 4.214 9.678 1.00 41.45 C ATOM 1334 CD2 LEU A 83 -2.498 4.848 11.784 1.00 50.41 C ATOM 0 H LEU A 83 -3.603 7.491 9.029 1.00 63.10 H new ATOM 0 HA LEU A 83 -2.828 7.533 11.743 1.00 62.11 H new ATOM 0 HB2 LEU A 83 -1.320 6.861 9.195 1.00 34.11 H new ATOM 0 HB3 LEU A 83 -0.625 6.662 10.792 1.00 34.11 H new ATOM 0 HG LEU A 83 -3.115 5.229 9.777 1.00 71.24 H new ATOM 0 HD11 LEU A 83 -1.658 3.217 9.744 1.00 41.45 H new ATOM 0 HD12 LEU A 83 -1.068 4.474 8.631 1.00 41.45 H new ATOM 0 HD13 LEU A 83 -0.265 4.227 10.199 1.00 41.45 H new ATOM 0 HD21 LEU A 83 -2.923 3.845 11.809 1.00 50.41 H new ATOM 0 HD22 LEU A 83 -1.585 4.870 12.378 1.00 50.41 H new ATOM 0 HD23 LEU A 83 -3.216 5.557 12.197 1.00 50.41 H new ATOM 1346 N LYS A 84 -1.503 9.874 9.856 1.00 60.55 N ATOM 1347 CA LYS A 84 -0.827 11.186 9.934 1.00 22.05 C ATOM 1348 C LYS A 84 -1.641 12.163 10.804 1.00 15.02 C ATOM 1349 O LYS A 84 -1.070 12.985 11.501 1.00 5.01 O ATOM 1350 CB LYS A 84 -0.599 11.780 8.532 1.00 13.42 C ATOM 1351 CG LYS A 84 0.350 10.966 7.632 1.00 54.20 C ATOM 1352 CD LYS A 84 0.509 11.603 6.237 1.00 52.55 C ATOM 1353 CE LYS A 84 -0.845 11.798 5.531 1.00 55.01 C ATOM 1354 NZ LYS A 84 -0.703 12.403 4.184 1.00 13.31 N ATOM 0 H LYS A 84 -1.879 9.648 8.935 1.00 60.55 H new ATOM 0 HA LYS A 84 0.147 11.032 10.398 1.00 22.05 H new ATOM 0 HB2 LYS A 84 -1.563 11.872 8.031 1.00 13.42 H new ATOM 0 HB3 LYS A 84 -0.199 12.788 8.641 1.00 13.42 H new ATOM 0 HG2 LYS A 84 1.327 10.890 8.110 1.00 54.20 H new ATOM 0 HG3 LYS A 84 -0.033 9.951 7.526 1.00 54.20 H new ATOM 0 HD2 LYS A 84 1.009 12.567 6.334 1.00 52.55 H new ATOM 0 HD3 LYS A 84 1.150 10.972 5.622 1.00 52.55 H new ATOM 0 HE2 LYS A 84 -1.346 10.834 5.442 1.00 55.01 H new ATOM 0 HE3 LYS A 84 -1.483 12.433 6.145 1.00 55.01 H new ATOM 0 HZ1 LYS A 84 -1.277 13.268 4.130 1.00 13.31 H new ATOM 0 HZ2 LYS A 84 0.295 12.639 4.013 1.00 13.31 H new ATOM 0 HZ3 LYS A 84 -1.028 11.727 3.464 1.00 13.31 H new ATOM 1368 N ALA A 85 -2.979 12.038 10.768 1.00 64.50 N ATOM 1369 CA ALA A 85 -3.871 12.820 11.649 1.00 11.13 C ATOM 1370 C ALA A 85 -3.686 12.391 13.122 1.00 25.32 C ATOM 1371 O ALA A 85 -3.688 13.225 14.029 1.00 55.32 O ATOM 1372 CB ALA A 85 -5.336 12.658 11.206 1.00 51.45 C ATOM 0 H ALA A 85 -3.469 11.403 10.138 1.00 64.50 H new ATOM 0 HA ALA A 85 -3.607 13.874 11.569 1.00 11.13 H new ATOM 0 HB1 ALA A 85 -5.982 13.240 11.864 1.00 51.45 H new ATOM 0 HB2 ALA A 85 -5.448 13.013 10.182 1.00 51.45 H new ATOM 0 HB3 ALA A 85 -5.618 11.606 11.258 1.00 51.45 H new ATOM 1378 N GLU A 86 -3.498 11.075 13.328 1.00 72.54 N ATOM 1379 CA GLU A 86 -3.346 10.476 14.666 1.00 30.42 C ATOM 1380 C GLU A 86 -1.950 10.762 15.250 1.00 24.23 C ATOM 1381 O GLU A 86 -1.806 11.015 16.451 1.00 21.52 O ATOM 1382 CB GLU A 86 -3.580 8.942 14.600 1.00 24.20 C ATOM 1383 CG GLU A 86 -4.974 8.505 14.102 1.00 54.15 C ATOM 1384 CD GLU A 86 -6.132 9.109 14.906 1.00 1.24 C ATOM 1385 OE1 GLU A 86 -6.333 8.695 16.069 1.00 63.32 O ATOM 1386 OE2 GLU A 86 -6.867 9.974 14.381 1.00 74.41 O ATOM 0 H GLU A 86 -3.447 10.395 12.569 1.00 72.54 H new ATOM 0 HA GLU A 86 -4.092 10.928 15.319 1.00 30.42 H new ATOM 0 HB2 GLU A 86 -2.826 8.504 13.946 1.00 24.20 H new ATOM 0 HB3 GLU A 86 -3.421 8.524 15.594 1.00 24.20 H new ATOM 0 HG2 GLU A 86 -5.082 8.790 13.055 1.00 54.15 H new ATOM 0 HG3 GLU A 86 -5.041 7.418 14.145 1.00 54.15 H new ATOM 1393 N SER A 87 -0.931 10.712 14.387 1.00 24.41 N ATOM 1394 CA SER A 87 0.485 10.786 14.792 1.00 53.54 C ATOM 1395 C SER A 87 0.990 12.241 14.835 1.00 2.31 C ATOM 1396 O SER A 87 1.836 12.574 15.669 1.00 13.22 O ATOM 1397 CB SER A 87 1.344 9.934 13.823 1.00 54.52 C ATOM 1398 OG SER A 87 2.691 9.892 14.226 1.00 62.14 O ATOM 0 H SER A 87 -1.061 10.618 13.380 1.00 24.41 H new ATOM 0 HA SER A 87 0.576 10.387 15.802 1.00 53.54 H new ATOM 0 HB2 SER A 87 0.945 8.921 13.778 1.00 54.52 H new ATOM 0 HB3 SER A 87 1.277 10.348 12.817 1.00 54.52 H new ATOM 0 HG SER A 87 3.204 9.346 13.595 1.00 62.14 H new ATOM 1404 N ALA A 88 0.474 13.098 13.937 1.00 42.11 N ATOM 1405 CA ALA A 88 0.934 14.501 13.802 1.00 53.22 C ATOM 1406 C ALA A 88 -0.113 15.484 14.321 1.00 12.31 C ATOM 1407 O ALA A 88 -1.249 15.106 14.627 1.00 25.42 O ATOM 1408 CB ALA A 88 1.289 14.803 12.340 1.00 61.32 C ATOM 0 H ALA A 88 -0.269 12.845 13.286 1.00 42.11 H new ATOM 0 HA ALA A 88 1.828 14.625 14.413 1.00 53.22 H new ATOM 0 HB1 ALA A 88 1.625 15.836 12.253 1.00 61.32 H new ATOM 0 HB2 ALA A 88 2.085 14.134 12.013 1.00 61.32 H new ATOM 0 HB3 ALA A 88 0.409 14.654 11.714 1.00 61.32 H new ATOM 1414 N LEU A 89 0.292 16.756 14.410 1.00 11.33 N ATOM 1415 CA LEU A 89 -0.562 17.850 14.911 1.00 14.45 C ATOM 1416 C LEU A 89 -1.581 18.333 13.844 1.00 75.15 C ATOM 1417 O LEU A 89 -2.396 19.221 14.128 1.00 32.01 O ATOM 1418 CB LEU A 89 0.304 19.048 15.396 1.00 54.15 C ATOM 1419 CG LEU A 89 0.954 19.980 14.307 1.00 75.12 C ATOM 1420 CD1 LEU A 89 1.637 21.184 14.981 1.00 55.40 C ATOM 1421 CD2 LEU A 89 1.964 19.232 13.415 1.00 45.05 C ATOM 0 H LEU A 89 1.226 17.062 14.136 1.00 11.33 H new ATOM 0 HA LEU A 89 -1.126 17.450 15.753 1.00 14.45 H new ATOM 0 HB2 LEU A 89 -0.318 19.670 16.040 1.00 54.15 H new ATOM 0 HB3 LEU A 89 1.107 18.650 16.017 1.00 54.15 H new ATOM 0 HG LEU A 89 0.148 20.327 13.660 1.00 75.12 H new ATOM 0 HD11 LEU A 89 2.084 21.823 14.219 1.00 55.40 H new ATOM 0 HD12 LEU A 89 0.898 21.754 15.544 1.00 55.40 H new ATOM 0 HD13 LEU A 89 2.414 20.829 15.658 1.00 55.40 H new ATOM 0 HD21 LEU A 89 2.382 19.922 12.682 1.00 45.05 H new ATOM 0 HD22 LEU A 89 2.766 18.829 14.033 1.00 45.05 H new ATOM 0 HD23 LEU A 89 1.459 18.416 12.899 1.00 45.05 H new ATOM 1433 N GLU A 90 -1.494 17.769 12.623 1.00 61.42 N ATOM 1434 CA GLU A 90 -2.368 18.116 11.487 1.00 63.23 C ATOM 1435 C GLU A 90 -3.830 17.669 11.755 1.00 54.25 C ATOM 1436 O GLU A 90 -4.672 18.521 12.121 1.00 23.40 O ATOM 1437 CB GLU A 90 -1.795 17.467 10.184 1.00 55.01 C ATOM 1438 CG GLU A 90 -0.350 17.887 9.846 1.00 74.43 C ATOM 1439 CD GLU A 90 -0.197 19.397 9.590 1.00 23.30 C ATOM 1440 OE1 GLU A 90 -0.514 19.851 8.461 1.00 70.11 O ATOM 1441 OE2 GLU A 90 0.224 20.141 10.500 1.00 23.24 O ATOM 1442 OXT GLU A 90 -4.121 16.463 11.628 1.00 38.04 O ATOM 0 H GLU A 90 -0.806 17.051 12.396 1.00 61.42 H new ATOM 0 HA GLU A 90 -2.388 19.198 11.360 1.00 63.23 H new ATOM 0 HB2 GLU A 90 -1.831 16.382 10.287 1.00 55.01 H new ATOM 0 HB3 GLU A 90 -2.442 17.729 9.347 1.00 55.01 H new ATOM 0 HG2 GLU A 90 0.306 17.597 10.666 1.00 74.43 H new ATOM 0 HG3 GLU A 90 -0.018 17.341 8.963 1.00 74.43 H new TER 1449 GLU A 90 HETATM 1450 P24 4EM A 101 3.946 -13.153 7.524 1.00 61.43 P HETATM 1451 O25 4EM A 101 4.116 -14.485 6.891 1.00 3.31 O HETATM 1452 O26 4EM A 101 5.058 -12.722 8.408 1.00 34.34 O HETATM 1453 O27 4EM A 101 2.544 -13.077 8.285 1.00 74.41 O HETATM 1454 C28 4EM A 101 2.308 -12.175 9.373 1.00 54.22 C HETATM 1455 C29 4EM A 101 0.804 -12.137 9.667 1.00 75.34 C HETATM 1456 C30 4EM A 101 0.044 -11.544 8.471 1.00 40.01 C HETATM 1457 C31 4EM A 101 0.553 -11.235 10.884 1.00 13.14 C HETATM 1458 C32 4EM A 101 0.315 -13.564 9.958 1.00 12.23 C HETATM 1459 O33 4EM A 101 0.923 -14.085 11.155 1.00 34.44 O HETATM 1460 C34 4EM A 101 -1.201 -13.588 10.134 1.00 34.04 C HETATM 1461 O35 4EM A 101 -1.919 -13.788 9.146 1.00 64.02 O HETATM 1462 N36 4EM A 101 -1.721 -13.429 11.360 1.00 22.11 N HETATM 1463 C37 4EM A 101 -3.171 -13.394 11.561 1.00 10.11 C HETATM 1464 C38 4EM A 101 -3.579 -11.927 11.655 1.00 63.42 C HETATM 1465 C39 4EM A 101 -5.054 -11.701 11.438 1.00 13.14 C HETATM 1466 O40 4EM A 101 -5.872 -11.544 12.351 1.00 74.45 O HETATM 1467 N41 4EM A 101 -5.321 -11.701 10.126 1.00 32.42 N HETATM 1468 C42 4EM A 101 -6.583 -11.490 9.442 1.00 65.21 C HETATM 1469 C43 4EM A 101 -6.508 -12.095 8.037 1.00 3.14 C HETATM 1470 N44 4EM A 101 -5.429 -11.604 7.414 1.00 41.03 N HETATM 1471 C45 4EM A 101 -5.181 -10.309 7.183 1.00 71.21 C HETATM 1472 O46 4EM A 101 -5.934 -9.380 7.469 1.00 62.34 O HETATM 1473 C47 4EM A 101 -4.027 -10.097 6.569 1.00 3.12 C HETATM 1474 C49 4EM A 101 -3.219 -9.068 6.808 1.00 12.13 C HETATM 1475 C51 4EM A 101 -2.070 -9.329 6.186 1.00 4.43 C HETATM 1476 C50 4EM A 101 -2.191 -10.491 5.554 1.00 14.35 C HETATM 1477 N48 4EM A 101 -3.403 -10.975 5.795 1.00 22.30 N