USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 831 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 43 ASN :FLIP amide:sc= -0.0707 F(o=-2.1,f=-0.4) USER MOD Set 1.2: A 76 ASN : amide:sc= 1.08 K(o=-0.4,f=-2.4) USER MOD Set 1.3: A 77 ASN : amide:sc= -1.41 K(o=-0.4,f=-2.4!) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 55 CYS SG : rot 85:sc= 0.743 USER MOD Set 3.1: A 48 MET CE :methyl -176:sc= 0 (180deg=-0.0192) USER MOD Set 3.2: A 50 MET CE :methyl -169:sc= -0.354 (180deg=-0.367) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.593 K(o=0.59,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.0641 K(o=0.064,f=-0.87) USER MOD Single : A 29 SER OG : rot 70:sc= 1.35 USER MOD Single : A 34 TYR OH : rot 151:sc= -0.0108 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.018) USER MOD Single : A 42 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.9) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 74:sc= 1 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 72:sc= 0.798 USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 1.65 (180deg=1.44) USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= -0.23 (180deg=-0.373) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 93 MET CE :methyl -175:sc=-0.00638 (180deg=-0.0997) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 2 11.796 -1.334 -17.710 1.00 0.00 N ATOM 2 CA MET A 2 12.103 -1.759 -16.333 1.00 0.00 C ATOM 3 C MET A 2 12.943 -0.718 -15.612 1.00 0.00 C ATOM 4 O MET A 2 12.514 -0.254 -14.556 1.00 0.00 O ATOM 5 CB MET A 2 12.754 -3.148 -16.267 1.00 0.00 C ATOM 6 CG MET A 2 11.839 -4.136 -15.553 1.00 0.00 C ATOM 7 SD MET A 2 11.406 -3.648 -13.865 1.00 0.00 S ATOM 8 CE MET A 2 10.310 -5.029 -13.473 1.00 0.00 C ATOM 0 HA MET A 2 11.148 -1.845 -15.815 1.00 0.00 H new ATOM 0 HB2 MET A 2 12.967 -3.504 -17.275 1.00 0.00 H new ATOM 0 HB3 MET A 2 13.708 -3.084 -15.744 1.00 0.00 H new ATOM 0 HG2 MET A 2 10.924 -4.252 -16.133 1.00 0.00 H new ATOM 0 HG3 MET A 2 12.325 -5.111 -15.525 1.00 0.00 H new ATOM 0 HE1 MET A 2 9.930 -4.915 -12.458 1.00 0.00 H new ATOM 0 HE2 MET A 2 9.475 -5.041 -14.174 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.863 -5.965 -13.551 1.00 0.00 H new ATOM 18 N SER A 3 14.113 -0.358 -16.170 1.00 0.00 N ATOM 19 CA SER A 3 15.167 0.417 -15.509 1.00 0.00 C ATOM 20 C SER A 3 15.850 -0.436 -14.428 1.00 0.00 C ATOM 21 O SER A 3 15.376 -1.525 -14.090 1.00 0.00 O ATOM 22 CB SER A 3 14.614 1.742 -14.933 1.00 0.00 C ATOM 23 OG SER A 3 15.281 2.892 -15.416 1.00 0.00 O ATOM 0 H SER A 3 14.355 -0.610 -17.128 1.00 0.00 H new ATOM 0 HA SER A 3 15.918 0.687 -16.251 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.554 1.819 -15.175 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.692 1.717 -13.846 1.00 0.00 H new ATOM 0 HG SER A 3 14.883 3.693 -15.016 1.00 0.00 H new ATOM 29 N LYS A 4 16.959 0.068 -13.877 1.00 0.00 N ATOM 30 CA LYS A 4 17.482 -0.389 -12.590 1.00 0.00 C ATOM 31 C LYS A 4 17.186 0.674 -11.535 1.00 0.00 C ATOM 32 O LYS A 4 16.902 1.824 -11.885 1.00 0.00 O ATOM 33 CB LYS A 4 18.977 -0.781 -12.659 1.00 0.00 C ATOM 34 CG LYS A 4 19.964 0.406 -12.620 1.00 0.00 C ATOM 35 CD LYS A 4 21.426 0.009 -12.355 1.00 0.00 C ATOM 36 CE LYS A 4 22.207 -0.397 -13.610 1.00 0.00 C ATOM 37 NZ LYS A 4 22.134 -1.839 -13.901 1.00 0.00 N ATOM 0 H LYS A 4 17.517 0.803 -14.312 1.00 0.00 H new ATOM 0 HA LYS A 4 16.976 -1.311 -12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.201 -1.448 -11.827 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.147 -1.346 -13.575 1.00 0.00 H new ATOM 0 HG2 LYS A 4 19.911 0.938 -13.570 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.644 1.104 -11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.937 0.846 -11.878 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.443 -0.820 -11.647 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.822 0.159 -14.465 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.252 -0.111 -13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.682 -2.048 -14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.527 -2.375 -13.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.142 -2.114 -14.048 1.00 0.00 H new ATOM 51 N LYS A 5 17.397 0.310 -10.269 1.00 0.00 N ATOM 52 CA LYS A 5 17.068 1.024 -9.045 1.00 0.00 C ATOM 53 C LYS A 5 15.565 1.170 -8.852 1.00 0.00 C ATOM 54 O LYS A 5 14.782 1.046 -9.798 1.00 0.00 O ATOM 55 CB LYS A 5 17.866 2.331 -8.925 1.00 0.00 C ATOM 56 CG LYS A 5 17.004 3.608 -8.974 1.00 0.00 C ATOM 57 CD LYS A 5 17.853 4.869 -8.962 1.00 0.00 C ATOM 58 CE LYS A 5 16.952 6.101 -8.867 1.00 0.00 C ATOM 59 NZ LYS A 5 17.718 7.341 -9.090 1.00 0.00 N ATOM 0 H LYS A 5 17.847 -0.581 -10.061 1.00 0.00 H new ATOM 0 HA LYS A 5 17.389 0.417 -8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.423 2.318 -7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.599 2.371 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.387 3.595 -9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.325 3.620 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.543 4.846 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.458 4.919 -9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.152 6.027 -9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.479 6.134 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.081 8.160 -9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.466 7.421 -8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.148 7.318 -10.036 1.00 0.00 H new ATOM 73 N VAL A 6 15.172 1.457 -7.615 1.00 0.00 N ATOM 74 CA VAL A 6 13.775 1.679 -7.254 1.00 0.00 C ATOM 75 C VAL A 6 13.580 3.061 -6.622 1.00 0.00 C ATOM 76 O VAL A 6 14.518 3.623 -6.054 1.00 0.00 O ATOM 77 CB VAL A 6 13.297 0.501 -6.384 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.768 0.554 -6.225 1.00 0.00 C ATOM 79 CG2 VAL A 6 13.731 -0.802 -7.014 1.00 0.00 C ATOM 0 H VAL A 6 15.817 1.543 -6.830 1.00 0.00 H new ATOM 0 HA VAL A 6 13.143 1.697 -8.142 1.00 0.00 H new ATOM 0 HB VAL A 6 13.745 0.572 -5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.437 -0.282 -5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.484 1.492 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.298 0.490 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.392 -1.635 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.296 -0.887 -8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.818 -0.825 -7.090 1.00 0.00 H new ATOM 89 N THR A 7 12.364 3.614 -6.711 1.00 0.00 N ATOM 90 CA THR A 7 11.977 4.883 -6.097 1.00 0.00 C ATOM 91 C THR A 7 10.548 4.787 -5.584 1.00 0.00 C ATOM 92 O THR A 7 9.803 3.880 -5.964 1.00 0.00 O ATOM 93 CB THR A 7 12.090 6.055 -7.099 1.00 0.00 C ATOM 94 OG1 THR A 7 11.118 6.000 -8.127 1.00 0.00 O ATOM 95 CG2 THR A 7 13.442 6.094 -7.799 1.00 0.00 C ATOM 0 H THR A 7 11.602 3.175 -7.228 1.00 0.00 H new ATOM 0 HA THR A 7 12.658 5.079 -5.269 1.00 0.00 H new ATOM 0 HB THR A 7 11.943 6.941 -6.481 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.235 6.764 -8.729 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.469 6.935 -8.492 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.233 6.209 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.593 5.166 -8.350 1.00 0.00 H new ATOM 103 N LYS A 8 10.145 5.747 -4.746 1.00 0.00 N ATOM 104 CA LYS A 8 8.800 5.813 -4.211 1.00 0.00 C ATOM 105 C LYS A 8 7.733 5.894 -5.305 1.00 0.00 C ATOM 106 O LYS A 8 6.615 5.434 -5.107 1.00 0.00 O ATOM 107 CB LYS A 8 8.704 7.006 -3.259 1.00 0.00 C ATOM 108 CG LYS A 8 9.224 8.341 -3.817 1.00 0.00 C ATOM 109 CD LYS A 8 8.468 9.537 -3.220 1.00 0.00 C ATOM 110 CE LYS A 8 8.761 9.746 -1.729 1.00 0.00 C ATOM 111 NZ LYS A 8 10.007 10.502 -1.513 1.00 0.00 N ATOM 0 H LYS A 8 10.753 6.500 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 8 8.602 4.888 -3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.661 7.135 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.260 6.770 -2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.288 8.437 -3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.119 8.348 -4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.737 10.440 -3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.397 9.388 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.929 10.278 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.834 8.777 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.168 10.621 -0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.805 9.983 -1.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.928 11.436 -1.963 1.00 0.00 H new ATOM 125 N GLU A 9 8.074 6.484 -6.444 1.00 0.00 N ATOM 126 CA GLU A 9 7.155 6.722 -7.543 1.00 0.00 C ATOM 127 C GLU A 9 6.807 5.398 -8.248 1.00 0.00 C ATOM 128 O GLU A 9 5.645 5.173 -8.590 1.00 0.00 O ATOM 129 CB GLU A 9 7.819 7.724 -8.498 1.00 0.00 C ATOM 130 CG GLU A 9 6.819 8.690 -9.143 1.00 0.00 C ATOM 131 CD GLU A 9 7.179 10.144 -8.821 1.00 0.00 C ATOM 132 OE1 GLU A 9 7.621 10.859 -9.753 1.00 0.00 O ATOM 133 OE2 GLU A 9 7.126 10.558 -7.637 1.00 0.00 O ATOM 0 H GLU A 9 9.020 6.817 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 9 6.215 7.138 -7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.568 8.297 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.345 7.178 -9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.811 8.544 -10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.813 8.472 -8.784 1.00 0.00 H new ATOM 141 N ASP A 10 7.804 4.507 -8.388 1.00 0.00 N ATOM 142 CA ASP A 10 7.652 3.131 -8.870 1.00 0.00 C ATOM 143 C ASP A 10 6.777 2.407 -7.864 1.00 0.00 C ATOM 144 O ASP A 10 5.790 1.787 -8.227 1.00 0.00 O ATOM 145 CB ASP A 10 9.005 2.375 -8.972 1.00 0.00 C ATOM 146 CG ASP A 10 9.340 1.956 -10.403 1.00 0.00 C ATOM 147 OD1 ASP A 10 9.665 2.845 -11.216 1.00 0.00 O ATOM 148 OD2 ASP A 10 9.346 0.737 -10.704 1.00 0.00 O ATOM 0 H ASP A 10 8.771 4.738 -8.159 1.00 0.00 H new ATOM 0 HA ASP A 10 7.222 3.158 -9.871 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.802 3.012 -8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.971 1.490 -8.337 1.00 0.00 H new ATOM 154 N VAL A 11 7.124 2.512 -6.580 1.00 0.00 N ATOM 155 CA VAL A 11 6.418 1.829 -5.491 1.00 0.00 C ATOM 156 C VAL A 11 4.931 2.201 -5.441 1.00 0.00 C ATOM 157 O VAL A 11 4.106 1.337 -5.152 1.00 0.00 O ATOM 158 CB VAL A 11 7.178 2.098 -4.175 1.00 0.00 C ATOM 159 CG1 VAL A 11 6.483 1.598 -2.905 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.558 1.415 -4.250 1.00 0.00 C ATOM 0 H VAL A 11 7.910 3.079 -6.262 1.00 0.00 H new ATOM 0 HA VAL A 11 6.413 0.753 -5.665 1.00 0.00 H new ATOM 0 HB VAL A 11 7.237 3.183 -4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.097 1.835 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.512 2.083 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.344 0.519 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.105 1.598 -3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.426 0.342 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.120 1.822 -5.091 1.00 0.00 H new ATOM 170 N LEU A 12 4.556 3.435 -5.783 1.00 0.00 N ATOM 171 CA LEU A 12 3.166 3.854 -5.842 1.00 0.00 C ATOM 172 C LEU A 12 2.530 3.187 -7.045 1.00 0.00 C ATOM 173 O LEU A 12 1.490 2.541 -6.925 1.00 0.00 O ATOM 174 CB LEU A 12 3.096 5.385 -5.952 1.00 0.00 C ATOM 175 CG LEU A 12 3.279 6.058 -4.583 1.00 0.00 C ATOM 176 CD1 LEU A 12 3.674 7.528 -4.759 1.00 0.00 C ATOM 177 CD2 LEU A 12 1.989 5.985 -3.748 1.00 0.00 C ATOM 0 H LEU A 12 5.217 4.172 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 12 2.629 3.561 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.867 5.737 -6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.135 5.677 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 12 4.071 5.522 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.800 7.991 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.611 7.589 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.892 8.051 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.151 6.470 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.183 6.492 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.718 4.941 -3.588 1.00 0.00 H new ATOM 189 N ASN A 13 3.177 3.310 -8.202 1.00 0.00 N ATOM 190 CA ASN A 13 2.677 2.777 -9.450 1.00 0.00 C ATOM 191 C ASN A 13 2.564 1.246 -9.430 1.00 0.00 C ATOM 192 O ASN A 13 1.744 0.674 -10.148 1.00 0.00 O ATOM 193 CB ASN A 13 3.638 3.259 -10.541 1.00 0.00 C ATOM 194 CG ASN A 13 3.177 4.565 -11.169 1.00 0.00 C ATOM 195 OD1 ASN A 13 2.210 4.599 -11.928 1.00 0.00 O ATOM 196 ND2 ASN A 13 3.811 5.672 -10.837 1.00 0.00 N ATOM 0 H ASN A 13 4.073 3.790 -8.291 1.00 0.00 H new ATOM 0 HA ASN A 13 1.663 3.131 -9.635 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.632 3.393 -10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.722 2.495 -11.314 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.501 6.569 -11.210 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.612 5.632 -10.207 1.00 0.00 H new ATOM 203 N ALA A 14 3.337 0.578 -8.579 1.00 0.00 N ATOM 204 CA ALA A 14 3.440 -0.865 -8.457 1.00 0.00 C ATOM 205 C ALA A 14 2.625 -1.423 -7.288 1.00 0.00 C ATOM 206 O ALA A 14 2.631 -2.634 -7.071 1.00 0.00 O ATOM 207 CB ALA A 14 4.907 -1.229 -8.298 1.00 0.00 C ATOM 0 H ALA A 14 3.943 1.063 -7.918 1.00 0.00 H new ATOM 0 HA ALA A 14 3.024 -1.313 -9.359 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.005 -2.311 -8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.463 -0.888 -9.171 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.306 -0.750 -7.404 1.00 0.00 H new ATOM 213 N LEU A 15 1.929 -0.572 -6.528 1.00 0.00 N ATOM 214 CA LEU A 15 0.884 -0.994 -5.610 1.00 0.00 C ATOM 215 C LEU A 15 -0.501 -0.964 -6.248 1.00 0.00 C ATOM 216 O LEU A 15 -1.413 -1.601 -5.723 1.00 0.00 O ATOM 217 CB LEU A 15 0.904 -0.102 -4.368 1.00 0.00 C ATOM 218 CG LEU A 15 1.984 -0.512 -3.363 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.111 0.542 -2.257 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.767 -1.905 -2.765 1.00 0.00 C ATOM 0 H LEU A 15 2.082 0.436 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 15 1.088 -2.029 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.069 0.932 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.071 -0.140 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 15 2.919 -0.568 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.883 0.237 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.382 1.501 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.159 0.639 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.570 -2.128 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.810 -1.932 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.766 -2.647 -3.563 1.00 0.00 H new ATOM 232 N LYS A 16 -0.659 -0.298 -7.397 1.00 0.00 N ATOM 233 CA LYS A 16 -1.903 -0.177 -8.162 1.00 0.00 C ATOM 234 C LYS A 16 -2.383 -1.522 -8.760 1.00 0.00 C ATOM 235 O LYS A 16 -3.029 -1.522 -9.813 1.00 0.00 O ATOM 236 CB LYS A 16 -1.738 0.912 -9.243 1.00 0.00 C ATOM 237 CG LYS A 16 -1.667 2.321 -8.635 1.00 0.00 C ATOM 238 CD LYS A 16 -1.379 3.385 -9.703 1.00 0.00 C ATOM 239 CE LYS A 16 -1.521 4.778 -9.077 1.00 0.00 C ATOM 240 NZ LYS A 16 -2.730 5.484 -9.549 1.00 0.00 N ATOM 0 H LYS A 16 0.116 0.195 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.692 0.123 -7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.832 0.719 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.574 0.860 -9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.609 2.551 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.888 2.350 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.374 3.253 -10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.071 3.276 -10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.558 4.684 -7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.639 5.373 -9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.783 6.420 -9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.684 5.598 -10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.575 4.931 -9.299 1.00 0.00 H new ATOM 254 N ASN A 17 -2.072 -2.673 -8.150 1.00 0.00 N ATOM 255 CA ASN A 17 -2.493 -4.008 -8.558 1.00 0.00 C ATOM 256 C ASN A 17 -2.800 -4.874 -7.336 1.00 0.00 C ATOM 257 O ASN A 17 -3.217 -6.024 -7.462 1.00 0.00 O ATOM 258 CB ASN A 17 -1.391 -4.656 -9.393 1.00 0.00 C ATOM 259 CG ASN A 17 -0.126 -4.977 -8.613 1.00 0.00 C ATOM 260 OD1 ASN A 17 0.043 -6.057 -8.055 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.796 -4.037 -8.585 1.00 0.00 N ATOM 0 H ASN A 17 -1.488 -2.692 -7.314 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.401 -3.924 -9.155 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.777 -5.576 -9.832 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.137 -3.991 -10.218 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.674 -4.198 -8.092 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.632 -3.148 -9.057 1.00 0.00 H new ATOM 268 N VAL A 18 -2.589 -4.324 -6.147 1.00 0.00 N ATOM 269 CA VAL A 18 -2.725 -5.005 -4.878 1.00 0.00 C ATOM 270 C VAL A 18 -4.172 -4.831 -4.406 1.00 0.00 C ATOM 271 O VAL A 18 -4.476 -3.986 -3.562 1.00 0.00 O ATOM 272 CB VAL A 18 -1.609 -4.517 -3.925 1.00 0.00 C ATOM 273 CG1 VAL A 18 -1.482 -5.512 -2.784 1.00 0.00 C ATOM 274 CG2 VAL A 18 -0.238 -4.595 -4.587 1.00 0.00 C ATOM 0 H VAL A 18 -2.307 -3.349 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.571 -6.083 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.869 -3.501 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.699 -5.184 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.429 -5.573 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.227 -6.493 -3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.523 -4.245 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.027 -5.627 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.229 -3.969 -5.479 1.00 0.00 H new ATOM 284 N ILE A 19 -5.082 -5.579 -5.042 1.00 0.00 N ATOM 285 CA ILE A 19 -6.516 -5.480 -4.822 1.00 0.00 C ATOM 286 C ILE A 19 -6.871 -6.241 -3.559 1.00 0.00 C ATOM 287 O ILE A 19 -6.702 -7.457 -3.456 1.00 0.00 O ATOM 288 CB ILE A 19 -7.315 -6.022 -6.018 1.00 0.00 C ATOM 289 CG1 ILE A 19 -6.947 -5.328 -7.347 1.00 0.00 C ATOM 290 CG2 ILE A 19 -8.833 -5.931 -5.784 1.00 0.00 C ATOM 291 CD1 ILE A 19 -7.262 -3.831 -7.404 1.00 0.00 C ATOM 0 H ILE A 19 -4.829 -6.282 -5.736 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.781 -4.428 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.036 -7.072 -6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.881 -5.467 -7.529 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.477 -5.827 -8.159 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.359 -6.325 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.101 -6.514 -4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.116 -4.890 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.968 -3.434 -8.376 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.331 -3.678 -7.258 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.711 -3.313 -6.619 1.00 0.00 H new ATOM 303 N ASP A 20 -7.436 -5.492 -2.634 1.00 0.00 N ATOM 304 CA ASP A 20 -7.897 -5.972 -1.347 1.00 0.00 C ATOM 305 C ASP A 20 -9.274 -6.587 -1.525 1.00 0.00 C ATOM 306 O ASP A 20 -10.230 -5.874 -1.848 1.00 0.00 O ATOM 307 CB ASP A 20 -7.943 -4.790 -0.388 1.00 0.00 C ATOM 308 CG ASP A 20 -8.264 -5.148 1.055 1.00 0.00 C ATOM 309 OD1 ASP A 20 -7.922 -4.310 1.930 1.00 0.00 O ATOM 310 OD2 ASP A 20 -8.896 -6.192 1.285 1.00 0.00 O ATOM 0 H ASP A 20 -7.593 -4.492 -2.763 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.228 -6.731 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.979 -4.281 -0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.689 -4.080 -0.745 1.00 0.00 H new ATOM 316 N PHE A 21 -9.368 -7.904 -1.343 1.00 0.00 N ATOM 317 CA PHE A 21 -10.604 -8.665 -1.465 1.00 0.00 C ATOM 318 C PHE A 21 -11.703 -8.195 -0.493 1.00 0.00 C ATOM 319 O PHE A 21 -12.857 -8.592 -0.671 1.00 0.00 O ATOM 320 CB PHE A 21 -10.311 -10.157 -1.227 1.00 0.00 C ATOM 321 CG PHE A 21 -9.903 -10.954 -2.451 1.00 0.00 C ATOM 322 CD1 PHE A 21 -10.890 -11.546 -3.257 1.00 0.00 C ATOM 323 CD2 PHE A 21 -8.545 -11.163 -2.757 1.00 0.00 C ATOM 324 CE1 PHE A 21 -10.527 -12.374 -4.335 1.00 0.00 C ATOM 325 CE2 PHE A 21 -8.180 -11.985 -3.838 1.00 0.00 C ATOM 326 CZ PHE A 21 -9.171 -12.599 -4.624 1.00 0.00 C ATOM 0 H PHE A 21 -8.564 -8.483 -1.100 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.982 -8.500 -2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.518 -10.238 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.200 -10.618 -0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -11.934 -11.364 -3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.780 -10.690 -2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.292 -12.837 -4.941 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.136 -12.145 -4.065 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.891 -13.241 -5.446 1.00 0.00 H new ATOM 336 N GLU A 22 -11.394 -7.416 0.552 1.00 0.00 N ATOM 337 CA GLU A 22 -12.382 -6.822 1.451 1.00 0.00 C ATOM 338 C GLU A 22 -13.302 -5.877 0.678 1.00 0.00 C ATOM 339 O GLU A 22 -14.492 -5.817 0.982 1.00 0.00 O ATOM 340 CB GLU A 22 -11.641 -6.106 2.602 1.00 0.00 C ATOM 341 CG GLU A 22 -12.426 -5.913 3.907 1.00 0.00 C ATOM 342 CD GLU A 22 -13.499 -4.815 3.875 1.00 0.00 C ATOM 343 OE1 GLU A 22 -14.701 -5.163 3.924 1.00 0.00 O ATOM 344 OE2 GLU A 22 -13.153 -3.611 3.832 1.00 0.00 O ATOM 0 H GLU A 22 -10.433 -7.179 0.797 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.017 -7.596 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.736 -6.670 2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.324 -5.126 2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.905 -6.857 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.720 -5.684 4.705 1.00 0.00 H new ATOM 352 N LEU A 23 -12.775 -5.159 -0.323 1.00 0.00 N ATOM 353 CA LEU A 23 -13.454 -3.980 -0.859 1.00 0.00 C ATOM 354 C LEU A 23 -13.381 -3.864 -2.383 1.00 0.00 C ATOM 355 O LEU A 23 -14.261 -3.252 -2.990 1.00 0.00 O ATOM 356 CB LEU A 23 -12.873 -2.740 -0.163 1.00 0.00 C ATOM 357 CG LEU A 23 -13.966 -1.679 0.113 1.00 0.00 C ATOM 358 CD1 LEU A 23 -13.835 -1.107 1.526 1.00 0.00 C ATOM 359 CD2 LEU A 23 -13.898 -0.498 -0.843 1.00 0.00 C ATOM 0 H LEU A 23 -11.886 -5.375 -0.773 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.519 -4.072 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.405 -3.035 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.091 -2.305 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 23 -14.912 -2.205 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.616 -0.364 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.938 -1.911 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -12.858 -0.638 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.688 0.212 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.929 -0.009 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.028 -0.850 -1.866 1.00 0.00 H new ATOM 371 N GLY A 24 -12.373 -4.468 -3.017 1.00 0.00 N ATOM 372 CA GLY A 24 -12.341 -4.758 -4.444 1.00 0.00 C ATOM 373 C GLY A 24 -11.478 -3.784 -5.227 1.00 0.00 C ATOM 374 O GLY A 24 -11.561 -3.736 -6.456 1.00 0.00 O ATOM 0 H GLY A 24 -11.531 -4.777 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.966 -5.770 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.357 -4.732 -4.838 1.00 0.00 H new ATOM 378 N LEU A 25 -10.658 -3.004 -4.519 1.00 0.00 N ATOM 379 CA LEU A 25 -9.857 -1.909 -5.036 1.00 0.00 C ATOM 380 C LEU A 25 -8.463 -1.940 -4.395 1.00 0.00 C ATOM 381 O LEU A 25 -8.239 -2.649 -3.408 1.00 0.00 O ATOM 382 CB LEU A 25 -10.565 -0.597 -4.681 1.00 0.00 C ATOM 383 CG LEU A 25 -11.471 0.084 -5.727 1.00 0.00 C ATOM 384 CD1 LEU A 25 -10.844 0.174 -7.123 1.00 0.00 C ATOM 385 CD2 LEU A 25 -12.865 -0.549 -5.803 1.00 0.00 C ATOM 0 H LEU A 25 -10.533 -3.132 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.744 -1.997 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.172 -0.783 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.797 0.122 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.583 1.106 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.540 0.665 -7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.921 0.751 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.625 -0.829 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.460 -0.030 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.773 -1.600 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.355 -0.467 -4.833 1.00 0.00 H new ATOM 397 N ASP A 26 -7.530 -1.147 -4.933 1.00 0.00 N ATOM 398 CA ASP A 26 -6.122 -1.174 -4.542 1.00 0.00 C ATOM 399 C ASP A 26 -5.816 -0.148 -3.428 1.00 0.00 C ATOM 400 O ASP A 26 -6.573 0.804 -3.209 1.00 0.00 O ATOM 401 CB ASP A 26 -5.211 -0.942 -5.762 1.00 0.00 C ATOM 402 CG ASP A 26 -4.842 0.527 -5.936 1.00 0.00 C ATOM 403 OD1 ASP A 26 -3.757 0.923 -5.475 1.00 0.00 O ATOM 404 OD2 ASP A 26 -5.652 1.291 -6.504 1.00 0.00 O ATOM 0 H ASP A 26 -7.737 -0.462 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.915 -2.165 -4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.301 -1.532 -5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.714 -1.297 -6.661 1.00 0.00 H new ATOM 410 N VAL A 27 -4.682 -0.299 -2.744 1.00 0.00 N ATOM 411 CA VAL A 27 -4.246 0.504 -1.607 1.00 0.00 C ATOM 412 C VAL A 27 -4.028 1.987 -1.938 1.00 0.00 C ATOM 413 O VAL A 27 -4.270 2.862 -1.102 1.00 0.00 O ATOM 414 CB VAL A 27 -2.950 -0.126 -1.055 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.126 -1.601 -0.666 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.761 -0.086 -2.015 1.00 0.00 C ATOM 0 H VAL A 27 -4.007 -1.026 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.043 0.495 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.740 0.498 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.183 -1.992 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.892 -1.685 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.428 -2.175 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.896 -0.551 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.011 -0.628 -2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.527 0.950 -2.262 1.00 0.00 H new ATOM 426 N VAL A 28 -3.540 2.300 -3.138 1.00 0.00 N ATOM 427 CA VAL A 28 -3.286 3.659 -3.584 1.00 0.00 C ATOM 428 C VAL A 28 -4.634 4.319 -3.895 1.00 0.00 C ATOM 429 O VAL A 28 -4.813 5.512 -3.629 1.00 0.00 O ATOM 430 CB VAL A 28 -2.316 3.663 -4.794 1.00 0.00 C ATOM 431 CG1 VAL A 28 -1.936 5.100 -5.184 1.00 0.00 C ATOM 432 CG2 VAL A 28 -1.020 2.920 -4.443 1.00 0.00 C ATOM 0 H VAL A 28 -3.307 1.596 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.791 4.238 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.827 3.172 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.255 5.078 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.835 5.654 -5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.448 5.589 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.350 2.932 -5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.536 3.411 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.252 1.889 -4.178 1.00 0.00 H new ATOM 442 N SER A 29 -5.618 3.559 -4.385 1.00 0.00 N ATOM 443 CA SER A 29 -7.001 4.042 -4.453 1.00 0.00 C ATOM 444 C SER A 29 -7.535 4.344 -3.059 1.00 0.00 C ATOM 445 O SER A 29 -8.084 5.425 -2.849 1.00 0.00 O ATOM 446 CB SER A 29 -7.929 3.076 -5.186 1.00 0.00 C ATOM 447 OG SER A 29 -7.550 3.014 -6.545 1.00 0.00 O ATOM 0 H SER A 29 -5.484 2.612 -4.739 1.00 0.00 H new ATOM 0 HA SER A 29 -6.983 4.964 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.874 2.085 -4.734 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.963 3.409 -5.099 1.00 0.00 H new ATOM 0 HG SER A 29 -6.687 2.557 -6.623 1.00 0.00 H new ATOM 453 N LEU A 30 -7.315 3.441 -2.095 1.00 0.00 N ATOM 454 CA LEU A 30 -7.818 3.626 -0.737 1.00 0.00 C ATOM 455 C LEU A 30 -7.149 4.820 -0.061 1.00 0.00 C ATOM 456 O LEU A 30 -7.624 5.270 0.973 1.00 0.00 O ATOM 457 CB LEU A 30 -7.628 2.344 0.105 1.00 0.00 C ATOM 458 CG LEU A 30 -8.890 1.466 0.248 1.00 0.00 C ATOM 459 CD1 LEU A 30 -8.697 0.091 -0.401 1.00 0.00 C ATOM 460 CD2 LEU A 30 -9.266 1.274 1.724 1.00 0.00 C ATOM 0 H LEU A 30 -6.792 2.577 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.886 3.831 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.836 1.745 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.286 2.628 1.100 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.696 1.990 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.606 -0.499 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.484 0.216 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.864 -0.424 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.158 0.652 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.443 0.789 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.464 2.245 2.178 1.00 0.00 H new ATOM 472 N GLY A 31 -6.049 5.340 -0.607 1.00 0.00 N ATOM 473 CA GLY A 31 -5.271 6.382 0.030 1.00 0.00 C ATOM 474 C GLY A 31 -4.705 5.879 1.348 1.00 0.00 C ATOM 475 O GLY A 31 -4.667 6.602 2.343 1.00 0.00 O ATOM 0 H GLY A 31 -5.678 5.042 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.460 6.694 -0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.896 7.258 0.204 1.00 0.00 H new ATOM 479 N LEU A 32 -4.271 4.617 1.349 1.00 0.00 N ATOM 480 CA LEU A 32 -3.328 4.092 2.323 1.00 0.00 C ATOM 481 C LEU A 32 -1.962 4.731 2.022 1.00 0.00 C ATOM 482 O LEU A 32 -1.861 5.630 1.184 1.00 0.00 O ATOM 483 CB LEU A 32 -3.287 2.548 2.256 1.00 0.00 C ATOM 484 CG LEU A 32 -4.674 1.871 2.301 1.00 0.00 C ATOM 485 CD1 LEU A 32 -4.556 0.349 2.349 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.521 2.369 3.471 1.00 0.00 C ATOM 0 H LEU A 32 -4.572 3.926 0.662 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.626 4.341 3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.780 2.250 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.687 2.176 3.087 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.181 2.150 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.552 -0.092 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.030 -0.003 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.001 0.055 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.487 1.865 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.009 2.154 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.672 3.445 3.379 1.00 0.00 H new ATOM 498 N VAL A 33 -0.900 4.210 2.644 1.00 0.00 N ATOM 499 CA VAL A 33 0.498 4.576 2.460 1.00 0.00 C ATOM 500 C VAL A 33 0.755 6.006 2.973 1.00 0.00 C ATOM 501 O VAL A 33 0.370 7.007 2.359 1.00 0.00 O ATOM 502 CB VAL A 33 0.911 4.371 0.986 1.00 0.00 C ATOM 503 CG1 VAL A 33 2.359 4.802 0.744 1.00 0.00 C ATOM 504 CG2 VAL A 33 0.661 2.943 0.467 1.00 0.00 C ATOM 0 H VAL A 33 -1.008 3.470 3.337 1.00 0.00 H new ATOM 0 HA VAL A 33 1.132 3.920 3.057 1.00 0.00 H new ATOM 0 HB VAL A 33 0.257 5.021 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.615 4.644 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.470 5.858 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.024 4.211 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.975 2.874 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.232 2.233 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.401 2.709 0.542 1.00 0.00 H new ATOM 514 N TYR A 34 1.410 6.107 4.128 1.00 0.00 N ATOM 515 CA TYR A 34 1.971 7.345 4.642 1.00 0.00 C ATOM 516 C TYR A 34 3.240 7.670 3.860 1.00 0.00 C ATOM 517 O TYR A 34 3.223 8.468 2.922 1.00 0.00 O ATOM 518 CB TYR A 34 2.229 7.205 6.154 1.00 0.00 C ATOM 519 CG TYR A 34 0.971 7.048 6.974 1.00 0.00 C ATOM 520 CD1 TYR A 34 0.022 8.087 7.001 1.00 0.00 C ATOM 521 CD2 TYR A 34 0.756 5.876 7.727 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.152 7.950 7.758 1.00 0.00 C ATOM 523 CE2 TYR A 34 -0.395 5.757 8.522 1.00 0.00 C ATOM 524 CZ TYR A 34 -1.361 6.787 8.532 1.00 0.00 C ATOM 525 OH TYR A 34 -2.477 6.669 9.295 1.00 0.00 O ATOM 0 H TYR A 34 1.567 5.309 4.743 1.00 0.00 H new ATOM 0 HA TYR A 34 1.275 8.173 4.511 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.873 6.343 6.325 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.772 8.083 6.503 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.198 8.992 6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.475 5.071 7.692 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.895 8.733 7.749 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.542 4.875 9.128 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.716 5.722 9.381 1.00 0.00 H new ATOM 535 N ASP A 35 4.337 7.028 4.249 1.00 0.00 N ATOM 536 CA ASP A 35 5.697 7.480 4.004 1.00 0.00 C ATOM 537 C ASP A 35 6.404 6.435 3.169 1.00 0.00 C ATOM 538 O ASP A 35 6.180 5.241 3.379 1.00 0.00 O ATOM 539 CB ASP A 35 6.422 7.594 5.345 1.00 0.00 C ATOM 540 CG ASP A 35 7.544 8.640 5.377 1.00 0.00 C ATOM 541 OD1 ASP A 35 8.116 8.824 6.475 1.00 0.00 O ATOM 542 OD2 ASP A 35 7.774 9.357 4.371 1.00 0.00 O ATOM 0 H ASP A 35 4.299 6.147 4.762 1.00 0.00 H new ATOM 0 HA ASP A 35 5.691 8.442 3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.693 7.838 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.843 6.621 5.600 1.00 0.00 H new ATOM 548 N ILE A 36 7.256 6.860 2.248 1.00 0.00 N ATOM 549 CA ILE A 36 7.840 6.025 1.210 1.00 0.00 C ATOM 550 C ILE A 36 9.300 6.467 1.062 1.00 0.00 C ATOM 551 O ILE A 36 9.568 7.517 0.476 1.00 0.00 O ATOM 552 CB ILE A 36 7.042 6.155 -0.119 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.519 6.355 0.048 1.00 0.00 C ATOM 554 CG2 ILE A 36 7.285 4.900 -0.973 1.00 0.00 C ATOM 555 CD1 ILE A 36 4.813 6.584 -1.289 1.00 0.00 C ATOM 0 H ILE A 36 7.570 7.829 2.202 1.00 0.00 H new ATOM 0 HA ILE A 36 7.797 4.969 1.475 1.00 0.00 H new ATOM 0 HB ILE A 36 7.412 7.062 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.091 5.480 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.336 7.207 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.729 4.982 -1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.349 4.809 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.949 4.018 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.745 6.719 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.220 7.475 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.971 5.721 -1.936 1.00 0.00 H new ATOM 567 N GLN A 37 10.241 5.700 1.610 1.00 0.00 N ATOM 568 CA GLN A 37 11.668 5.984 1.583 1.00 0.00 C ATOM 569 C GLN A 37 12.392 4.794 0.991 1.00 0.00 C ATOM 570 O GLN A 37 12.144 3.657 1.391 1.00 0.00 O ATOM 571 CB GLN A 37 12.187 6.257 2.995 1.00 0.00 C ATOM 572 CG GLN A 37 11.875 7.704 3.383 1.00 0.00 C ATOM 573 CD GLN A 37 12.623 8.110 4.646 1.00 0.00 C ATOM 574 OE1 GLN A 37 13.816 8.418 4.616 1.00 0.00 O ATOM 575 NE2 GLN A 37 11.959 8.104 5.784 1.00 0.00 N ATOM 0 H GLN A 37 10.019 4.834 2.101 1.00 0.00 H new ATOM 0 HA GLN A 37 11.848 6.870 0.975 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.722 5.571 3.703 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.262 6.081 3.039 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.150 8.370 2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.802 7.818 3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.972 7.847 5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.432 8.356 6.652 1.00 0.00 H new ATOM 584 N ILE A 38 13.256 5.053 0.012 1.00 0.00 N ATOM 585 CA ILE A 38 13.916 4.009 -0.743 1.00 0.00 C ATOM 586 C ILE A 38 15.407 4.303 -0.686 1.00 0.00 C ATOM 587 O ILE A 38 15.852 5.352 -1.172 1.00 0.00 O ATOM 588 CB ILE A 38 13.382 3.909 -2.178 1.00 0.00 C ATOM 589 CG1 ILE A 38 11.880 4.207 -2.310 1.00 0.00 C ATOM 590 CG2 ILE A 38 13.756 2.550 -2.794 1.00 0.00 C ATOM 591 CD1 ILE A 38 10.807 3.350 -1.665 1.00 0.00 C ATOM 0 H ILE A 38 13.514 5.997 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 38 13.713 3.030 -0.309 1.00 0.00 H new ATOM 0 HB ILE A 38 13.871 4.700 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.732 5.220 -1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.661 4.225 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.371 2.494 -3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.841 2.444 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.322 1.748 -2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.824 3.760 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.876 2.332 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.948 3.342 -0.584 1.00 0.00 H new ATOM 603 N ASP A 39 16.178 3.428 -0.042 1.00 0.00 N ATOM 604 CA ASP A 39 17.620 3.654 -0.008 1.00 0.00 C ATOM 605 C ASP A 39 18.262 3.296 -1.355 1.00 0.00 C ATOM 606 O ASP A 39 17.619 2.698 -2.218 1.00 0.00 O ATOM 607 CB ASP A 39 18.329 2.985 1.177 1.00 0.00 C ATOM 608 CG ASP A 39 19.533 3.827 1.627 1.00 0.00 C ATOM 609 OD1 ASP A 39 20.093 3.517 2.697 1.00 0.00 O ATOM 610 OD2 ASP A 39 19.898 4.814 0.935 1.00 0.00 O ATOM 0 H ASP A 39 15.848 2.593 0.442 1.00 0.00 H new ATOM 0 HA ASP A 39 17.759 4.722 0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.631 2.865 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.661 1.986 0.893 1.00 0.00 H new ATOM 616 N ASP A 40 19.544 3.615 -1.556 1.00 0.00 N ATOM 617 CA ASP A 40 20.285 3.272 -2.781 1.00 0.00 C ATOM 618 C ASP A 40 20.408 1.765 -2.965 1.00 0.00 C ATOM 619 O ASP A 40 20.544 1.284 -4.090 1.00 0.00 O ATOM 620 CB ASP A 40 21.694 3.873 -2.773 1.00 0.00 C ATOM 621 CG ASP A 40 21.690 5.318 -3.258 1.00 0.00 C ATOM 622 OD1 ASP A 40 22.118 6.209 -2.491 1.00 0.00 O ATOM 623 OD2 ASP A 40 21.277 5.556 -4.417 1.00 0.00 O ATOM 0 H ASP A 40 20.104 4.122 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 40 19.712 3.692 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 40 22.104 3.828 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 40 22.348 3.277 -3.409 1.00 0.00 H new ATOM 629 N GLN A 41 20.320 1.026 -1.861 1.00 0.00 N ATOM 630 CA GLN A 41 20.252 -0.421 -1.762 1.00 0.00 C ATOM 631 C GLN A 41 18.846 -0.945 -2.110 1.00 0.00 C ATOM 632 O GLN A 41 18.522 -2.087 -1.806 1.00 0.00 O ATOM 633 CB GLN A 41 20.702 -0.804 -0.338 1.00 0.00 C ATOM 634 CG GLN A 41 22.187 -0.556 -0.024 1.00 0.00 C ATOM 635 CD GLN A 41 23.055 -1.674 -0.595 1.00 0.00 C ATOM 636 OE1 GLN A 41 23.475 -2.580 0.121 1.00 0.00 O ATOM 637 NE2 GLN A 41 23.230 -1.714 -1.902 1.00 0.00 N ATOM 0 H GLN A 41 20.293 1.465 -0.941 1.00 0.00 H new ATOM 0 HA GLN A 41 20.914 -0.892 -2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 41 20.099 -0.245 0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 41 20.487 -1.861 -0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 41 22.497 0.401 -0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 41 22.330 -0.493 1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 41 22.877 -0.957 -2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 41 23.718 -2.502 -2.327 1.00 0.00 H new ATOM 646 N ASN A 42 17.998 -0.102 -2.713 1.00 0.00 N ATOM 647 CA ASN A 42 16.625 -0.341 -3.148 1.00 0.00 C ATOM 648 C ASN A 42 15.777 -0.962 -2.039 1.00 0.00 C ATOM 649 O ASN A 42 14.902 -1.796 -2.285 1.00 0.00 O ATOM 650 CB ASN A 42 16.573 -1.188 -4.420 1.00 0.00 C ATOM 651 CG ASN A 42 17.283 -0.604 -5.629 1.00 0.00 C ATOM 652 OD1 ASN A 42 17.508 0.600 -5.747 1.00 0.00 O ATOM 653 ND2 ASN A 42 17.580 -1.461 -6.582 1.00 0.00 N ATOM 0 H ASN A 42 18.288 0.852 -2.926 1.00 0.00 H new ATOM 0 HA ASN A 42 16.195 0.633 -3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.007 -2.164 -4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.528 -1.355 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.009 -1.133 -7.447 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.382 -2.453 -6.455 1.00 0.00 H new ATOM 660 N ASN A 43 16.071 -0.571 -0.802 1.00 0.00 N ATOM 661 CA ASN A 43 15.347 -0.945 0.399 1.00 0.00 C ATOM 662 C ASN A 43 14.006 -0.235 0.300 1.00 0.00 C ATOM 663 O ASN A 43 13.931 0.934 0.688 1.00 0.00 O ATOM 664 CB ASN A 43 16.077 -0.413 1.651 1.00 0.00 C ATOM 665 CG ASN A 43 17.441 -0.997 2.004 1.00 0.00 C ATOM 666 OD1 ASN A 43 18.119 -1.670 1.096 1.00 0.00 O flip ATOM 667 ND2 ASN A 43 17.922 -0.801 3.115 1.00 0.00 N flip ATOM 0 H ASN A 43 16.860 0.045 -0.606 1.00 0.00 H new ATOM 0 HA ASN A 43 15.256 -2.028 0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 43 16.199 0.663 1.531 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.420 -0.566 2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 43 17.394 -0.280 3.815 1.00 0.00 H new ATOM 0 HD22 ASN A 43 18.850 -1.159 3.339 1.00 0.00 H new ATOM 674 N VAL A 44 12.973 -0.836 -0.296 1.00 0.00 N ATOM 675 CA VAL A 44 11.705 -0.121 -0.356 1.00 0.00 C ATOM 676 C VAL A 44 11.091 -0.142 1.031 1.00 0.00 C ATOM 677 O VAL A 44 10.780 -1.225 1.537 1.00 0.00 O ATOM 678 CB VAL A 44 10.812 -0.752 -1.425 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.342 -0.312 -1.351 1.00 0.00 C ATOM 680 CG2 VAL A 44 11.394 -0.452 -2.810 1.00 0.00 C ATOM 0 H VAL A 44 12.986 -1.763 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 44 11.839 0.921 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 44 10.804 -1.826 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.775 -0.803 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.928 -0.589 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.279 0.769 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.761 -0.900 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.438 0.627 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.399 -0.869 -2.881 1.00 0.00 H new ATOM 690 N LYS A 45 10.900 1.038 1.627 1.00 0.00 N ATOM 691 CA LYS A 45 10.338 1.136 2.963 1.00 0.00 C ATOM 692 C LYS A 45 9.101 1.970 2.883 1.00 0.00 C ATOM 693 O LYS A 45 9.138 3.104 2.395 1.00 0.00 O ATOM 694 CB LYS A 45 11.369 1.700 3.942 1.00 0.00 C ATOM 695 CG LYS A 45 10.818 1.735 5.380 1.00 0.00 C ATOM 696 CD LYS A 45 11.894 1.802 6.466 1.00 0.00 C ATOM 697 CE LYS A 45 12.661 3.125 6.430 1.00 0.00 C ATOM 698 NZ LYS A 45 13.639 3.193 7.532 1.00 0.00 N ATOM 0 H LYS A 45 11.129 1.935 1.199 1.00 0.00 H new ATOM 0 HA LYS A 45 10.071 0.151 3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.273 1.091 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.652 2.707 3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.160 2.598 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.208 0.847 5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.430 1.678 7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.592 0.975 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.175 3.227 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.962 3.958 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.148 4.099 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.142 3.118 8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.317 2.410 7.443 1.00 0.00 H new ATOM 712 N VAL A 46 8.005 1.381 3.343 1.00 0.00 N ATOM 713 CA VAL A 46 6.713 2.016 3.299 1.00 0.00 C ATOM 714 C VAL A 46 6.017 1.876 4.642 1.00 0.00 C ATOM 715 O VAL A 46 5.823 0.778 5.162 1.00 0.00 O ATOM 716 CB VAL A 46 5.877 1.528 2.110 1.00 0.00 C ATOM 717 CG1 VAL A 46 4.704 2.500 1.950 1.00 0.00 C ATOM 718 CG2 VAL A 46 6.692 1.538 0.807 1.00 0.00 C ATOM 0 H VAL A 46 7.996 0.448 3.756 1.00 0.00 H new ATOM 0 HA VAL A 46 6.846 3.084 3.125 1.00 0.00 H new ATOM 0 HB VAL A 46 5.547 0.506 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.083 2.186 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.107 2.503 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.086 3.504 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.068 1.186 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.030 2.553 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.556 0.882 0.913 1.00 0.00 H new ATOM 728 N LEU A 47 5.629 3.027 5.193 1.00 0.00 N ATOM 729 CA LEU A 47 4.725 3.112 6.322 1.00 0.00 C ATOM 730 C LEU A 47 3.328 2.932 5.737 1.00 0.00 C ATOM 731 O LEU A 47 2.701 3.897 5.293 1.00 0.00 O ATOM 732 CB LEU A 47 4.896 4.449 7.070 1.00 0.00 C ATOM 733 CG LEU A 47 5.772 4.378 8.333 1.00 0.00 C ATOM 734 CD1 LEU A 47 7.183 3.809 8.113 1.00 0.00 C ATOM 735 CD2 LEU A 47 5.903 5.793 8.903 1.00 0.00 C ATOM 0 H LEU A 47 5.944 3.937 4.856 1.00 0.00 H new ATOM 0 HA LEU A 47 4.926 2.347 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.329 5.178 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.910 4.821 7.350 1.00 0.00 H new ATOM 0 HG LEU A 47 5.273 3.688 9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.723 3.799 9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.109 2.792 7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.719 4.431 7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.521 5.768 9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.367 6.443 8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.914 6.177 9.154 1.00 0.00 H new ATOM 747 N MET A 48 2.870 1.689 5.634 1.00 0.00 N ATOM 748 CA MET A 48 1.530 1.341 5.174 1.00 0.00 C ATOM 749 C MET A 48 0.643 1.152 6.422 1.00 0.00 C ATOM 750 O MET A 48 1.130 1.215 7.553 1.00 0.00 O ATOM 751 CB MET A 48 1.694 0.138 4.229 1.00 0.00 C ATOM 752 CG MET A 48 0.533 -0.195 3.285 1.00 0.00 C ATOM 753 SD MET A 48 -0.868 -1.053 4.039 1.00 0.00 S ATOM 754 CE MET A 48 -1.681 -1.728 2.574 1.00 0.00 C ATOM 0 H MET A 48 3.435 0.874 5.874 1.00 0.00 H new ATOM 0 HA MET A 48 1.015 2.103 4.590 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.582 0.309 3.620 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.892 -0.743 4.840 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.172 0.733 2.842 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.916 -0.809 2.470 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.605 -2.226 2.868 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.910 -0.919 1.880 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.020 -2.446 2.089 1.00 0.00 H new ATOM 764 N THR A 49 -0.670 1.047 6.266 1.00 0.00 N ATOM 765 CA THR A 49 -1.626 0.951 7.363 1.00 0.00 C ATOM 766 C THR A 49 -2.897 0.333 6.785 1.00 0.00 C ATOM 767 O THR A 49 -3.264 0.635 5.644 1.00 0.00 O ATOM 768 CB THR A 49 -1.873 2.354 7.984 1.00 0.00 C ATOM 769 OG1 THR A 49 -3.035 2.359 8.784 1.00 0.00 O ATOM 770 CG2 THR A 49 -2.038 3.467 6.936 1.00 0.00 C ATOM 0 H THR A 49 -1.113 1.026 5.347 1.00 0.00 H new ATOM 0 HA THR A 49 -1.254 0.325 8.174 1.00 0.00 H new ATOM 0 HB THR A 49 -0.982 2.557 8.578 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.857 1.884 9.622 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.207 4.419 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.135 3.533 6.330 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.889 3.239 6.295 1.00 0.00 H new ATOM 778 N MET A 50 -3.617 -0.452 7.586 1.00 0.00 N ATOM 779 CA MET A 50 -4.922 -1.006 7.241 1.00 0.00 C ATOM 780 C MET A 50 -6.013 -0.212 7.948 1.00 0.00 C ATOM 781 O MET A 50 -5.789 0.338 9.030 1.00 0.00 O ATOM 782 CB MET A 50 -4.991 -2.475 7.682 1.00 0.00 C ATOM 783 CG MET A 50 -4.917 -3.448 6.517 1.00 0.00 C ATOM 784 SD MET A 50 -3.438 -3.332 5.495 1.00 0.00 S ATOM 785 CE MET A 50 -3.849 -4.635 4.312 1.00 0.00 C ATOM 0 H MET A 50 -3.299 -0.726 8.516 1.00 0.00 H new ATOM 0 HA MET A 50 -5.067 -0.945 6.162 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.173 -2.680 8.372 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.919 -2.641 8.229 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.986 -4.462 6.910 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.789 -3.292 5.881 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.974 -4.862 3.703 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.159 -5.531 4.850 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.662 -4.299 3.669 1.00 0.00 H new ATOM 795 N THR A 51 -7.213 -0.207 7.364 1.00 0.00 N ATOM 796 CA THR A 51 -8.388 0.398 7.968 1.00 0.00 C ATOM 797 C THR A 51 -8.617 -0.240 9.338 1.00 0.00 C ATOM 798 O THR A 51 -8.551 0.440 10.363 1.00 0.00 O ATOM 799 CB THR A 51 -9.579 0.305 6.991 1.00 0.00 C ATOM 800 OG1 THR A 51 -10.722 0.976 7.455 1.00 0.00 O ATOM 801 CG2 THR A 51 -9.962 -1.110 6.538 1.00 0.00 C ATOM 0 H THR A 51 -7.391 -0.627 6.452 1.00 0.00 H new ATOM 0 HA THR A 51 -8.253 1.464 8.150 1.00 0.00 H new ATOM 0 HB THR A 51 -9.193 0.813 6.107 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.443 0.886 6.798 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.810 -1.056 5.855 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.115 -1.571 6.030 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.234 -1.709 7.407 1.00 0.00 H new ATOM 809 N THR A 52 -8.837 -1.556 9.392 1.00 0.00 N ATOM 810 CA THR A 52 -9.342 -2.190 10.592 1.00 0.00 C ATOM 811 C THR A 52 -8.565 -3.485 10.859 1.00 0.00 C ATOM 812 O THR A 52 -8.226 -4.223 9.928 1.00 0.00 O ATOM 813 CB THR A 52 -10.862 -2.374 10.459 1.00 0.00 C ATOM 814 OG1 THR A 52 -11.180 -3.290 9.434 1.00 0.00 O ATOM 815 CG2 THR A 52 -11.612 -1.074 10.154 1.00 0.00 C ATOM 0 H THR A 52 -8.671 -2.195 8.614 1.00 0.00 H new ATOM 0 HA THR A 52 -9.183 -1.566 11.471 1.00 0.00 H new ATOM 0 HB THR A 52 -11.180 -2.745 11.433 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.153 -3.388 9.373 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.679 -1.280 10.074 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.440 -0.358 10.957 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.251 -0.658 9.213 1.00 0.00 H new ATOM 823 N PRO A 53 -8.237 -3.791 12.125 1.00 0.00 N ATOM 824 CA PRO A 53 -7.574 -5.039 12.474 1.00 0.00 C ATOM 825 C PRO A 53 -8.525 -6.251 12.412 1.00 0.00 C ATOM 826 O PRO A 53 -8.148 -7.341 12.844 1.00 0.00 O ATOM 827 CB PRO A 53 -6.929 -4.791 13.843 1.00 0.00 C ATOM 828 CG PRO A 53 -7.695 -3.620 14.453 1.00 0.00 C ATOM 829 CD PRO A 53 -8.345 -2.905 13.273 1.00 0.00 C ATOM 0 HA PRO A 53 -6.806 -5.314 11.751 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.999 -5.676 14.475 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.870 -4.555 13.740 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.445 -3.968 15.163 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.026 -2.953 14.997 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.389 -2.678 13.488 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.847 -1.956 13.076 1.00 0.00 H new ATOM 837 N MET A 54 -9.759 -6.101 11.910 1.00 0.00 N ATOM 838 CA MET A 54 -10.747 -7.176 11.796 1.00 0.00 C ATOM 839 C MET A 54 -10.828 -7.796 10.394 1.00 0.00 C ATOM 840 O MET A 54 -11.697 -8.639 10.177 1.00 0.00 O ATOM 841 CB MET A 54 -12.138 -6.671 12.224 1.00 0.00 C ATOM 842 CG MET A 54 -12.734 -5.611 11.284 1.00 0.00 C ATOM 843 SD MET A 54 -14.540 -5.509 11.344 1.00 0.00 S ATOM 844 CE MET A 54 -14.788 -4.122 10.202 1.00 0.00 C ATOM 0 H MET A 54 -10.103 -5.205 11.564 1.00 0.00 H new ATOM 0 HA MET A 54 -10.409 -7.967 12.466 1.00 0.00 H new ATOM 0 HB2 MET A 54 -12.821 -7.519 12.278 1.00 0.00 H new ATOM 0 HB3 MET A 54 -12.069 -6.253 13.228 1.00 0.00 H new ATOM 0 HG2 MET A 54 -12.316 -4.637 11.539 1.00 0.00 H new ATOM 0 HG3 MET A 54 -12.426 -5.832 10.262 1.00 0.00 H new ATOM 0 HE1 MET A 54 -15.854 -3.911 10.111 1.00 0.00 H new ATOM 0 HE2 MET A 54 -14.275 -3.240 10.584 1.00 0.00 H new ATOM 0 HE3 MET A 54 -14.385 -4.380 9.223 1.00 0.00 H new ATOM 854 N CYS A 55 -10.024 -7.351 9.423 1.00 0.00 N ATOM 855 CA CYS A 55 -10.204 -7.710 8.016 1.00 0.00 C ATOM 856 C CYS A 55 -10.186 -9.232 7.773 1.00 0.00 C ATOM 857 O CYS A 55 -9.583 -9.986 8.542 1.00 0.00 O ATOM 858 CB CYS A 55 -9.133 -6.993 7.192 1.00 0.00 C ATOM 859 SG CYS A 55 -9.484 -5.217 7.154 1.00 0.00 S ATOM 0 H CYS A 55 -9.231 -6.732 9.592 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.196 -7.385 7.701 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.148 -7.170 7.624 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.113 -7.392 6.178 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.990 -4.654 8.217 1.00 0.00 H new ATOM 865 N PRO A 56 -10.812 -9.707 6.682 1.00 0.00 N ATOM 866 CA PRO A 56 -11.345 -11.063 6.598 1.00 0.00 C ATOM 867 C PRO A 56 -10.250 -12.110 6.445 1.00 0.00 C ATOM 868 O PRO A 56 -10.296 -13.192 7.025 1.00 0.00 O ATOM 869 CB PRO A 56 -12.275 -11.054 5.381 1.00 0.00 C ATOM 870 CG PRO A 56 -11.770 -9.911 4.498 1.00 0.00 C ATOM 871 CD PRO A 56 -11.064 -8.960 5.458 1.00 0.00 C ATOM 0 HA PRO A 56 -11.868 -11.334 7.515 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.239 -12.006 4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.311 -10.893 5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.088 -10.276 3.730 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.593 -9.415 3.984 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.130 -8.598 5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.682 -8.085 5.660 1.00 0.00 H new ATOM 879 N LEU A 57 -9.247 -11.766 5.649 1.00 0.00 N ATOM 880 CA LEU A 57 -8.072 -12.554 5.345 1.00 0.00 C ATOM 881 C LEU A 57 -6.906 -11.571 5.314 1.00 0.00 C ATOM 882 O LEU A 57 -6.162 -11.501 4.339 1.00 0.00 O ATOM 883 CB LEU A 57 -8.278 -13.392 4.058 1.00 0.00 C ATOM 884 CG LEU A 57 -9.142 -12.791 2.927 1.00 0.00 C ATOM 885 CD1 LEU A 57 -8.653 -11.444 2.410 1.00 0.00 C ATOM 886 CD2 LEU A 57 -9.168 -13.735 1.730 1.00 0.00 C ATOM 0 H LEU A 57 -9.237 -10.866 5.168 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.860 -13.314 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.294 -13.614 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.724 -14.344 4.348 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.126 -12.650 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.317 -11.095 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.649 -10.721 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.643 -11.551 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.780 -13.302 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.153 -13.885 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.590 -14.694 2.032 1.00 0.00 H new ATOM 898 N ALA A 58 -6.781 -10.779 6.392 1.00 0.00 N ATOM 899 CA ALA A 58 -5.781 -9.729 6.550 1.00 0.00 C ATOM 900 C ALA A 58 -4.411 -10.241 6.124 1.00 0.00 C ATOM 901 O ALA A 58 -3.762 -9.587 5.321 1.00 0.00 O ATOM 902 CB ALA A 58 -5.711 -9.254 8.005 1.00 0.00 C ATOM 0 H ALA A 58 -7.398 -10.861 7.200 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.073 -8.890 5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.958 -8.471 8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.682 -8.861 8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.443 -10.092 8.649 1.00 0.00 H new ATOM 908 N GLY A 59 -4.002 -11.415 6.618 1.00 0.00 N ATOM 909 CA GLY A 59 -2.727 -12.034 6.301 1.00 0.00 C ATOM 910 C GLY A 59 -2.481 -12.080 4.802 1.00 0.00 C ATOM 911 O GLY A 59 -1.404 -11.688 4.371 1.00 0.00 O ATOM 0 H GLY A 59 -4.567 -11.967 7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.923 -11.479 6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.704 -13.046 6.705 1.00 0.00 H new ATOM 915 N MET A 60 -3.476 -12.504 4.023 1.00 0.00 N ATOM 916 CA MET A 60 -3.390 -12.688 2.580 1.00 0.00 C ATOM 917 C MET A 60 -3.261 -11.346 1.856 1.00 0.00 C ATOM 918 O MET A 60 -2.488 -11.221 0.906 1.00 0.00 O ATOM 919 CB MET A 60 -4.638 -13.465 2.130 1.00 0.00 C ATOM 920 CG MET A 60 -4.405 -14.270 0.850 1.00 0.00 C ATOM 921 SD MET A 60 -4.591 -13.339 -0.693 1.00 0.00 S ATOM 922 CE MET A 60 -4.090 -14.636 -1.850 1.00 0.00 C ATOM 0 H MET A 60 -4.396 -12.736 4.396 1.00 0.00 H new ATOM 0 HA MET A 60 -2.495 -13.255 2.325 1.00 0.00 H new ATOM 0 HB2 MET A 60 -4.947 -14.141 2.928 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.458 -12.765 1.970 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.400 -14.691 0.883 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.101 -15.109 0.836 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.138 -14.253 -2.869 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.069 -14.948 -1.628 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.760 -15.490 -1.751 1.00 0.00 H new ATOM 932 N ILE A 61 -3.983 -10.325 2.324 1.00 0.00 N ATOM 933 CA ILE A 61 -3.912 -8.968 1.784 1.00 0.00 C ATOM 934 C ILE A 61 -2.528 -8.381 2.094 1.00 0.00 C ATOM 935 O ILE A 61 -1.904 -7.755 1.236 1.00 0.00 O ATOM 936 CB ILE A 61 -5.053 -8.109 2.378 1.00 0.00 C ATOM 937 CG1 ILE A 61 -6.453 -8.672 2.045 1.00 0.00 C ATOM 938 CG2 ILE A 61 -4.977 -6.662 1.868 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.510 -8.254 3.070 1.00 0.00 C ATOM 0 H ILE A 61 -4.641 -10.420 3.098 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.043 -8.979 0.702 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.915 -8.135 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.754 -8.327 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.403 -9.760 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.791 -6.080 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.022 -6.223 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.064 -6.654 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.475 -8.676 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.226 -8.622 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.583 -7.167 3.095 1.00 0.00 H new ATOM 951 N LEU A 62 -2.054 -8.565 3.328 1.00 0.00 N ATOM 952 CA LEU A 62 -0.769 -8.078 3.814 1.00 0.00 C ATOM 953 C LEU A 62 0.378 -8.805 3.108 1.00 0.00 C ATOM 954 O LEU A 62 1.413 -8.183 2.862 1.00 0.00 O ATOM 955 CB LEU A 62 -0.672 -8.275 5.339 1.00 0.00 C ATOM 956 CG LEU A 62 -1.648 -7.427 6.177 1.00 0.00 C ATOM 957 CD1 LEU A 62 -1.734 -7.977 7.605 1.00 0.00 C ATOM 958 CD2 LEU A 62 -1.241 -5.960 6.244 1.00 0.00 C ATOM 0 H LEU A 62 -2.576 -9.076 4.039 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.690 -7.014 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.845 -9.327 5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.346 -8.045 5.654 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.617 -7.488 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.427 -7.370 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.089 -9.007 7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.747 -7.946 8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.963 -5.409 6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.253 -5.877 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.216 -5.543 5.237 1.00 0.00 H new ATOM 970 N SER A 63 0.196 -10.088 2.773 1.00 0.00 N ATOM 971 CA SER A 63 1.085 -10.860 1.924 1.00 0.00 C ATOM 972 C SER A 63 1.109 -10.224 0.536 1.00 0.00 C ATOM 973 O SER A 63 2.202 -9.960 0.051 1.00 0.00 O ATOM 974 CB SER A 63 0.653 -12.335 1.842 1.00 0.00 C ATOM 975 OG SER A 63 0.759 -13.022 3.080 1.00 0.00 O ATOM 0 H SER A 63 -0.605 -10.628 3.102 1.00 0.00 H new ATOM 0 HA SER A 63 2.086 -10.849 2.355 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.379 -12.385 1.494 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.265 -12.845 1.098 1.00 0.00 H new ATOM 0 HG SER A 63 0.061 -12.705 3.691 1.00 0.00 H new ATOM 981 N ASP A 64 -0.047 -9.921 -0.071 1.00 0.00 N ATOM 982 CA ASP A 64 -0.150 -9.373 -1.431 1.00 0.00 C ATOM 983 C ASP A 64 0.653 -8.078 -1.569 1.00 0.00 C ATOM 984 O ASP A 64 1.249 -7.807 -2.611 1.00 0.00 O ATOM 985 CB ASP A 64 -1.605 -9.060 -1.786 1.00 0.00 C ATOM 986 CG ASP A 64 -1.901 -8.973 -3.284 1.00 0.00 C ATOM 987 OD1 ASP A 64 -1.281 -9.673 -4.112 1.00 0.00 O ATOM 988 OD2 ASP A 64 -2.887 -8.284 -3.629 1.00 0.00 O ATOM 0 H ASP A 64 -0.954 -10.052 0.378 1.00 0.00 H new ATOM 0 HA ASP A 64 0.248 -10.131 -2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.243 -9.828 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.881 -8.114 -1.321 1.00 0.00 H new ATOM 994 N ALA A 65 0.680 -7.268 -0.505 1.00 0.00 N ATOM 995 CA ALA A 65 1.424 -6.022 -0.483 1.00 0.00 C ATOM 996 C ALA A 65 2.931 -6.269 -0.597 1.00 0.00 C ATOM 997 O ALA A 65 3.621 -5.486 -1.252 1.00 0.00 O ATOM 998 CB ALA A 65 1.060 -5.220 0.765 1.00 0.00 C ATOM 0 H ALA A 65 0.182 -7.466 0.363 1.00 0.00 H new ATOM 0 HA ALA A 65 1.145 -5.429 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.622 -4.286 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.008 -5.000 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.305 -5.800 1.655 1.00 0.00 H new ATOM 1004 N GLU A 66 3.471 -7.324 0.017 1.00 0.00 N ATOM 1005 CA GLU A 66 4.816 -7.796 -0.262 1.00 0.00 C ATOM 1006 C GLU A 66 4.871 -8.330 -1.698 1.00 0.00 C ATOM 1007 O GLU A 66 5.798 -8.044 -2.453 1.00 0.00 O ATOM 1008 CB GLU A 66 5.168 -8.928 0.722 1.00 0.00 C ATOM 1009 CG GLU A 66 6.681 -8.969 0.958 1.00 0.00 C ATOM 1010 CD GLU A 66 7.266 -10.352 1.302 1.00 0.00 C ATOM 1011 OE1 GLU A 66 6.505 -11.343 1.425 1.00 0.00 O ATOM 1012 OE2 GLU A 66 8.509 -10.493 1.296 1.00 0.00 O ATOM 0 H GLU A 66 2.980 -7.872 0.723 1.00 0.00 H new ATOM 0 HA GLU A 66 5.529 -6.979 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.649 -8.773 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.828 -9.884 0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.180 -8.596 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.923 -8.281 1.768 1.00 0.00 H new ATOM 1020 N GLU A 67 3.879 -9.142 -2.053 1.00 0.00 N ATOM 1021 CA GLU A 67 3.809 -9.998 -3.222 1.00 0.00 C ATOM 1022 C GLU A 67 3.792 -9.229 -4.533 1.00 0.00 C ATOM 1023 O GLU A 67 4.107 -9.814 -5.557 1.00 0.00 O ATOM 1024 CB GLU A 67 2.541 -10.855 -3.145 1.00 0.00 C ATOM 1025 CG GLU A 67 2.673 -12.140 -3.949 1.00 0.00 C ATOM 1026 CD GLU A 67 3.429 -13.254 -3.201 1.00 0.00 C ATOM 1027 OE1 GLU A 67 4.252 -12.972 -2.293 1.00 0.00 O ATOM 1028 OE2 GLU A 67 3.185 -14.445 -3.498 1.00 0.00 O ATOM 0 H GLU A 67 3.038 -9.221 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 67 4.711 -10.610 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.331 -11.099 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.692 -10.281 -3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.678 -12.499 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.191 -11.924 -4.883 1.00 0.00 H new ATOM 1036 N ALA A 68 3.424 -7.952 -4.533 1.00 0.00 N ATOM 1037 CA ALA A 68 3.525 -7.095 -5.702 1.00 0.00 C ATOM 1038 C ALA A 68 4.862 -6.370 -5.716 1.00 0.00 C ATOM 1039 O ALA A 68 5.527 -6.260 -6.751 1.00 0.00 O ATOM 1040 CB ALA A 68 2.387 -6.088 -5.639 1.00 0.00 C ATOM 0 H ALA A 68 3.044 -7.481 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 68 3.458 -7.692 -6.612 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.436 -5.429 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.433 -6.616 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.475 -5.496 -4.728 1.00 0.00 H new ATOM 1046 N ILE A 69 5.254 -5.863 -4.551 1.00 0.00 N ATOM 1047 CA ILE A 69 6.413 -5.014 -4.369 1.00 0.00 C ATOM 1048 C ILE A 69 7.715 -5.784 -4.601 1.00 0.00 C ATOM 1049 O ILE A 69 8.658 -5.204 -5.137 1.00 0.00 O ATOM 1050 CB ILE A 69 6.293 -4.354 -2.981 1.00 0.00 C ATOM 1051 CG1 ILE A 69 5.151 -3.311 -2.997 1.00 0.00 C ATOM 1052 CG2 ILE A 69 7.591 -3.729 -2.453 1.00 0.00 C ATOM 1053 CD1 ILE A 69 5.354 -2.086 -3.897 1.00 0.00 C ATOM 0 H ILE A 69 4.752 -6.042 -3.681 1.00 0.00 H new ATOM 0 HA ILE A 69 6.446 -4.221 -5.116 1.00 0.00 H new ATOM 0 HB ILE A 69 6.064 -5.159 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.235 -3.814 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.994 -2.962 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.410 -3.289 -1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.358 -4.499 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.928 -2.954 -3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.486 -1.431 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.246 -1.545 -3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.475 -2.410 -4.931 1.00 0.00 H new ATOM 1065 N LYS A 70 7.795 -7.088 -4.299 1.00 0.00 N ATOM 1066 CA LYS A 70 9.035 -7.825 -4.582 1.00 0.00 C ATOM 1067 C LYS A 70 9.267 -8.004 -6.088 1.00 0.00 C ATOM 1068 O LYS A 70 10.388 -8.235 -6.534 1.00 0.00 O ATOM 1069 CB LYS A 70 9.029 -9.161 -3.830 1.00 0.00 C ATOM 1070 CG LYS A 70 7.910 -10.106 -4.301 1.00 0.00 C ATOM 1071 CD LYS A 70 7.749 -11.325 -3.393 1.00 0.00 C ATOM 1072 CE LYS A 70 7.280 -10.917 -1.996 1.00 0.00 C ATOM 1073 NZ LYS A 70 6.654 -12.039 -1.283 1.00 0.00 N ATOM 0 H LYS A 70 7.047 -7.637 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 70 9.878 -7.236 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.993 -9.652 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.913 -8.971 -2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.968 -9.558 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.125 -10.440 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.031 -12.017 -3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.699 -11.855 -3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.129 -10.549 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.569 -10.095 -2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.200 -11.689 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.939 -12.483 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.380 -12.741 -1.034 1.00 0.00 H new ATOM 1087 N LYS A 71 8.216 -7.868 -6.901 1.00 0.00 N ATOM 1088 CA LYS A 71 8.193 -8.257 -8.303 1.00 0.00 C ATOM 1089 C LYS A 71 8.670 -7.114 -9.181 1.00 0.00 C ATOM 1090 O LYS A 71 8.637 -7.216 -10.411 1.00 0.00 O ATOM 1091 CB LYS A 71 6.756 -8.607 -8.708 1.00 0.00 C ATOM 1092 CG LYS A 71 5.937 -9.374 -7.658 1.00 0.00 C ATOM 1093 CD LYS A 71 6.249 -10.867 -7.495 1.00 0.00 C ATOM 1094 CE LYS A 71 5.346 -11.733 -8.373 1.00 0.00 C ATOM 1095 NZ LYS A 71 5.416 -11.360 -9.798 1.00 0.00 N ATOM 0 H LYS A 71 7.331 -7.470 -6.586 1.00 0.00 H new ATOM 0 HA LYS A 71 8.851 -9.116 -8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.230 -7.683 -8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.790 -9.201 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.082 -8.889 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.881 -9.273 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.292 -11.051 -7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.124 -11.153 -6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.631 -12.779 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.316 -11.644 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.895 -12.058 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.993 -10.419 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.410 -11.339 -10.103 1.00 0.00 H new ATOM 1109 N ILE A 72 9.033 -5.982 -8.578 1.00 0.00 N ATOM 1110 CA ILE A 72 9.459 -4.798 -9.289 1.00 0.00 C ATOM 1111 C ILE A 72 10.909 -4.970 -9.770 1.00 0.00 C ATOM 1112 O ILE A 72 11.451 -4.090 -10.435 1.00 0.00 O ATOM 1113 CB ILE A 72 9.096 -3.522 -8.490 1.00 0.00 C ATOM 1114 CG1 ILE A 72 7.716 -3.584 -7.798 1.00 0.00 C ATOM 1115 CG2 ILE A 72 9.095 -2.255 -9.375 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.513 -2.400 -6.836 1.00 0.00 C ATOM 0 H ILE A 72 9.036 -5.870 -7.564 1.00 0.00 H new ATOM 0 HA ILE A 72 8.906 -4.655 -10.217 1.00 0.00 H new ATOM 0 HB ILE A 72 9.877 -3.470 -7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.929 -3.580 -8.552 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.626 -4.521 -7.248 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.835 -1.388 -8.768 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.086 -2.112 -9.807 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.364 -2.371 -10.175 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.532 -2.476 -6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.285 -2.420 -6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.578 -1.464 -7.392 1.00 0.00 H new ATOM 1128 N GLU A 73 11.533 -6.120 -9.493 1.00 0.00 N ATOM 1129 CA GLU A 73 12.841 -6.502 -9.989 1.00 0.00 C ATOM 1130 C GLU A 73 13.895 -5.446 -9.651 1.00 0.00 C ATOM 1131 O GLU A 73 14.716 -5.038 -10.475 1.00 0.00 O ATOM 1132 CB GLU A 73 12.718 -6.876 -11.477 1.00 0.00 C ATOM 1133 CG GLU A 73 13.804 -7.884 -11.825 1.00 0.00 C ATOM 1134 CD GLU A 73 13.602 -8.533 -13.203 1.00 0.00 C ATOM 1135 OE1 GLU A 73 13.822 -9.765 -13.298 1.00 0.00 O ATOM 1136 OE2 GLU A 73 13.254 -7.845 -14.194 1.00 0.00 O ATOM 0 H GLU A 73 11.116 -6.832 -8.893 1.00 0.00 H new ATOM 0 HA GLU A 73 13.209 -7.394 -9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.734 -7.298 -11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.817 -5.986 -12.099 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.774 -7.387 -11.802 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.827 -8.663 -11.063 1.00 0.00 H new ATOM 1144 N GLY A 74 13.848 -4.986 -8.406 1.00 0.00 N ATOM 1145 CA GLY A 74 14.667 -3.890 -7.927 1.00 0.00 C ATOM 1146 C GLY A 74 14.610 -3.847 -6.418 1.00 0.00 C ATOM 1147 O GLY A 74 15.643 -3.668 -5.788 1.00 0.00 O ATOM 0 H GLY A 74 13.229 -5.373 -7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.697 -4.018 -8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.312 -2.947 -8.343 1.00 0.00 H new ATOM 1151 N VAL A 75 13.421 -4.073 -5.855 1.00 0.00 N ATOM 1152 CA VAL A 75 13.073 -4.201 -4.439 1.00 0.00 C ATOM 1153 C VAL A 75 13.813 -5.234 -3.627 1.00 0.00 C ATOM 1154 O VAL A 75 13.300 -6.307 -3.330 1.00 0.00 O ATOM 1155 CB VAL A 75 11.588 -4.217 -4.161 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.369 -3.936 -2.690 1.00 0.00 C ATOM 1157 CG2 VAL A 75 10.983 -3.126 -5.010 1.00 0.00 C ATOM 0 H VAL A 75 12.593 -4.182 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 75 13.467 -3.258 -4.059 1.00 0.00 H new ATOM 0 HB VAL A 75 11.131 -5.178 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.301 -3.944 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.866 -4.702 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.782 -2.959 -2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.906 -3.093 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.421 -2.166 -4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.185 -3.329 -6.062 1.00 0.00 H new ATOM 1167 N ASN A 76 15.093 -4.976 -3.472 1.00 0.00 N ATOM 1168 CA ASN A 76 16.027 -5.808 -2.764 1.00 0.00 C ATOM 1169 C ASN A 76 15.434 -6.437 -1.506 1.00 0.00 C ATOM 1170 O ASN A 76 15.510 -7.645 -1.286 1.00 0.00 O ATOM 1171 CB ASN A 76 17.224 -4.947 -2.379 1.00 0.00 C ATOM 1172 CG ASN A 76 18.226 -5.726 -1.544 1.00 0.00 C ATOM 1173 OD1 ASN A 76 18.898 -6.632 -2.035 1.00 0.00 O ATOM 1174 ND2 ASN A 76 18.353 -5.398 -0.272 1.00 0.00 N ATOM 0 H ASN A 76 15.527 -4.137 -3.857 1.00 0.00 H new ATOM 0 HA ASN A 76 16.311 -6.630 -3.421 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.711 -4.576 -3.281 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.882 -4.076 -1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.016 -5.898 0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.788 -4.644 0.119 1.00 0.00 H new ATOM 1181 N ASN A 77 14.896 -5.572 -0.658 1.00 0.00 N ATOM 1182 CA ASN A 77 14.163 -5.881 0.556 1.00 0.00 C ATOM 1183 C ASN A 77 12.925 -5.010 0.667 1.00 0.00 C ATOM 1184 O ASN A 77 12.849 -3.941 0.058 1.00 0.00 O ATOM 1185 CB ASN A 77 15.042 -5.656 1.776 1.00 0.00 C ATOM 1186 CG ASN A 77 15.599 -4.257 1.882 1.00 0.00 C ATOM 1187 OD1 ASN A 77 16.437 -3.883 1.076 1.00 0.00 O ATOM 1188 ND2 ASN A 77 15.176 -3.484 2.859 1.00 0.00 N ATOM 0 H ASN A 77 14.967 -4.566 -0.813 1.00 0.00 H new ATOM 0 HA ASN A 77 13.863 -6.928 0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.463 -5.874 2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.870 -6.365 1.750 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.549 -2.540 2.961 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.475 -3.828 3.515 1.00 0.00 H new ATOM 1195 N VAL A 78 11.964 -5.478 1.465 1.00 0.00 N ATOM 1196 CA VAL A 78 10.583 -5.043 1.435 1.00 0.00 C ATOM 1197 C VAL A 78 10.216 -4.651 2.868 1.00 0.00 C ATOM 1198 O VAL A 78 9.628 -5.431 3.612 1.00 0.00 O ATOM 1199 CB VAL A 78 9.704 -6.174 0.835 1.00 0.00 C ATOM 1200 CG1 VAL A 78 8.245 -5.723 0.688 1.00 0.00 C ATOM 1201 CG2 VAL A 78 10.161 -6.673 -0.545 1.00 0.00 C ATOM 0 H VAL A 78 12.140 -6.194 2.170 1.00 0.00 H new ATOM 0 HA VAL A 78 10.417 -4.177 0.795 1.00 0.00 H new ATOM 0 HB VAL A 78 9.807 -6.992 1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.654 -6.535 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.847 -5.455 1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.197 -4.857 0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.491 -7.461 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.142 -5.847 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.175 -7.065 -0.472 1.00 0.00 H new ATOM 1211 N GLU A 79 10.607 -3.451 3.288 1.00 0.00 N ATOM 1212 CA GLU A 79 10.468 -2.948 4.652 1.00 0.00 C ATOM 1213 C GLU A 79 9.057 -2.384 4.872 1.00 0.00 C ATOM 1214 O GLU A 79 8.860 -1.176 5.026 1.00 0.00 O ATOM 1215 CB GLU A 79 11.555 -1.897 4.922 1.00 0.00 C ATOM 1216 CG GLU A 79 12.978 -2.469 4.957 1.00 0.00 C ATOM 1217 CD GLU A 79 13.571 -2.363 6.362 1.00 0.00 C ATOM 1218 OE1 GLU A 79 13.220 -3.200 7.229 1.00 0.00 O ATOM 1219 OE2 GLU A 79 14.360 -1.426 6.605 1.00 0.00 O ATOM 0 H GLU A 79 11.047 -2.775 2.663 1.00 0.00 H new ATOM 0 HA GLU A 79 10.602 -3.764 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.502 -1.128 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.346 -1.409 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.963 -3.512 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.609 -1.931 4.250 1.00 0.00 H new ATOM 1227 N VAL A 80 8.048 -3.253 4.850 1.00 0.00 N ATOM 1228 CA VAL A 80 6.660 -2.839 4.963 1.00 0.00 C ATOM 1229 C VAL A 80 6.325 -2.779 6.452 1.00 0.00 C ATOM 1230 O VAL A 80 6.099 -3.812 7.092 1.00 0.00 O ATOM 1231 CB VAL A 80 5.741 -3.793 4.176 1.00 0.00 C ATOM 1232 CG1 VAL A 80 4.282 -3.330 4.251 1.00 0.00 C ATOM 1233 CG2 VAL A 80 6.122 -3.864 2.694 1.00 0.00 C ATOM 0 H VAL A 80 8.174 -4.261 4.753 1.00 0.00 H new ATOM 0 HA VAL A 80 6.501 -1.854 4.523 1.00 0.00 H new ATOM 0 HB VAL A 80 5.861 -4.775 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.652 -4.019 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.959 -3.311 5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.195 -2.330 3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.448 -4.548 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.042 -2.872 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.147 -4.223 2.599 1.00 0.00 H new ATOM 1243 N GLU A 81 6.302 -1.584 7.027 1.00 0.00 N ATOM 1244 CA GLU A 81 5.802 -1.357 8.377 1.00 0.00 C ATOM 1245 C GLU A 81 4.270 -1.323 8.273 1.00 0.00 C ATOM 1246 O GLU A 81 3.735 -0.840 7.267 1.00 0.00 O ATOM 1247 CB GLU A 81 6.377 -0.011 8.847 1.00 0.00 C ATOM 1248 CG GLU A 81 6.150 0.343 10.320 1.00 0.00 C ATOM 1249 CD GLU A 81 7.213 -0.296 11.214 1.00 0.00 C ATOM 1250 OE1 GLU A 81 8.356 0.216 11.254 1.00 0.00 O ATOM 1251 OE2 GLU A 81 6.918 -1.314 11.879 1.00 0.00 O ATOM 0 H GLU A 81 6.633 -0.737 6.565 1.00 0.00 H new ATOM 0 HA GLU A 81 6.093 -2.127 9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.450 -0.011 8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.944 0.779 8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.171 1.426 10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.161 0.006 10.629 1.00 0.00 H new ATOM 1259 N LEU A 82 3.550 -1.746 9.312 1.00 0.00 N ATOM 1260 CA LEU A 82 2.086 -1.742 9.376 1.00 0.00 C ATOM 1261 C LEU A 82 1.663 -0.902 10.571 1.00 0.00 C ATOM 1262 O LEU A 82 1.782 -1.339 11.716 1.00 0.00 O ATOM 1263 CB LEU A 82 1.531 -3.177 9.447 1.00 0.00 C ATOM 1264 CG LEU A 82 -0.004 -3.265 9.549 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -0.776 -2.641 8.382 1.00 0.00 C ATOM 1266 CD2 LEU A 82 -0.405 -4.740 9.618 1.00 0.00 C ATOM 0 H LEU A 82 3.982 -2.113 10.160 1.00 0.00 H new ATOM 0 HA LEU A 82 1.671 -1.302 8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.855 -3.723 8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.969 -3.680 10.309 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.266 -2.696 10.441 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.847 -2.756 8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.532 -1.581 8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.499 -3.141 7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.490 -4.819 9.691 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.063 -5.252 8.719 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.052 -5.201 10.494 1.00 0.00 H new ATOM 1278 N THR A 83 1.196 0.323 10.323 1.00 0.00 N ATOM 1279 CA THR A 83 0.687 1.155 11.392 1.00 0.00 C ATOM 1280 C THR A 83 -0.799 0.844 11.568 1.00 0.00 C ATOM 1281 O THR A 83 -1.588 1.007 10.637 1.00 0.00 O ATOM 1282 CB THR A 83 0.905 2.665 11.153 1.00 0.00 C ATOM 1283 OG1 THR A 83 1.808 3.063 10.138 1.00 0.00 O ATOM 1284 CG2 THR A 83 1.489 3.230 12.441 1.00 0.00 C ATOM 0 H THR A 83 1.163 0.750 9.397 1.00 0.00 H new ATOM 0 HA THR A 83 1.245 0.923 12.299 1.00 0.00 H new ATOM 0 HB THR A 83 -0.074 3.027 10.838 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.845 4.041 10.098 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.662 4.300 12.323 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.790 3.064 13.261 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.433 2.732 12.662 1.00 0.00 H new ATOM 1292 N PHE A 84 -1.187 0.414 12.764 1.00 0.00 N ATOM 1293 CA PHE A 84 -2.578 0.275 13.180 1.00 0.00 C ATOM 1294 C PHE A 84 -2.959 1.246 14.295 1.00 0.00 C ATOM 1295 O PHE A 84 -4.143 1.474 14.558 1.00 0.00 O ATOM 1296 CB PHE A 84 -2.810 -1.159 13.665 1.00 0.00 C ATOM 1297 CG PHE A 84 -3.469 -2.034 12.633 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -4.743 -1.698 12.142 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -2.813 -3.181 12.166 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -5.338 -2.495 11.156 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -3.448 -4.022 11.241 1.00 0.00 C ATOM 1302 CZ PHE A 84 -4.704 -3.672 10.726 1.00 0.00 C ATOM 0 H PHE A 84 -0.524 0.145 13.491 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.203 0.507 12.318 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.854 -1.599 13.948 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.429 -1.137 14.562 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.260 -0.830 12.523 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.820 -3.417 12.518 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.285 -2.204 10.726 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.970 -4.938 10.926 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.185 -4.308 9.998 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.957 1.807 14.959 1.00 0.00 N ATOM 1313 CA ASP A 85 -2.081 2.836 15.978 1.00 0.00 C ATOM 1314 C ASP A 85 -2.842 4.038 15.406 1.00 0.00 C ATOM 1315 O ASP A 85 -3.858 4.408 16.007 1.00 0.00 O ATOM 1316 CB ASP A 85 -0.705 3.251 16.541 1.00 0.00 C ATOM 1317 CG ASP A 85 0.314 2.110 16.564 1.00 0.00 C ATOM 1318 OD1 ASP A 85 0.455 1.481 17.637 1.00 0.00 O ATOM 1319 OD2 ASP A 85 0.836 1.738 15.487 1.00 0.00 O ATOM 0 H ASP A 85 -0.987 1.541 14.791 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.648 2.429 16.815 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.308 4.070 15.941 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.835 3.632 17.554 1.00 0.00 H new ATOM 1325 N PRO A 86 -2.426 4.648 14.271 1.00 0.00 N ATOM 1326 CA PRO A 86 -3.099 5.814 13.755 1.00 0.00 C ATOM 1327 C PRO A 86 -4.414 5.387 13.096 1.00 0.00 C ATOM 1328 O PRO A 86 -4.446 4.442 12.307 1.00 0.00 O ATOM 1329 CB PRO A 86 -2.164 6.467 12.747 1.00 0.00 C ATOM 1330 CG PRO A 86 -1.401 5.278 12.186 1.00 0.00 C ATOM 1331 CD PRO A 86 -1.296 4.357 13.404 1.00 0.00 C ATOM 0 HA PRO A 86 -3.339 6.524 14.547 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.713 7.000 11.970 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.499 7.189 13.220 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.934 4.804 11.362 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.420 5.566 11.807 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.308 3.311 13.096 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.356 4.523 13.930 1.00 0.00 H new ATOM 1339 N PRO A 87 -5.508 6.099 13.378 1.00 0.00 N ATOM 1340 CA PRO A 87 -6.752 5.982 12.647 1.00 0.00 C ATOM 1341 C PRO A 87 -6.545 6.681 11.298 1.00 0.00 C ATOM 1342 O PRO A 87 -6.449 7.911 11.259 1.00 0.00 O ATOM 1343 CB PRO A 87 -7.795 6.639 13.554 1.00 0.00 C ATOM 1344 CG PRO A 87 -7.000 7.658 14.379 1.00 0.00 C ATOM 1345 CD PRO A 87 -5.557 7.154 14.363 1.00 0.00 C ATOM 0 HA PRO A 87 -7.080 4.968 12.418 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.578 7.124 12.971 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.283 5.904 14.194 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.073 8.656 13.947 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.382 7.723 15.398 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.867 7.958 14.107 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.264 6.783 15.345 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.417 5.906 10.217 1.00 0.00 N ATOM 1354 CA TRP A 88 -5.976 6.337 8.886 1.00 0.00 C ATOM 1355 C TRP A 88 -6.818 7.513 8.356 1.00 0.00 C ATOM 1356 O TRP A 88 -6.351 8.650 8.461 1.00 0.00 O ATOM 1357 CB TRP A 88 -5.800 5.108 7.974 1.00 0.00 C ATOM 1358 CG TRP A 88 -6.321 5.171 6.572 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -5.658 5.601 5.477 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -7.613 4.702 6.095 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -6.484 5.520 4.376 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -7.688 4.929 4.692 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -8.733 4.120 6.724 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -8.821 4.583 3.946 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -9.884 3.795 5.985 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -9.923 4.020 4.599 1.00 0.00 C ATOM 0 H TRP A 88 -6.629 4.909 10.248 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.982 6.782 8.925 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.734 4.886 7.921 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.277 4.261 8.466 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.637 5.954 5.465 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.235 5.855 3.445 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.706 3.922 7.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.844 4.749 2.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -10.742 3.370 6.485 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.806 3.758 4.036 1.00 0.00 H new ATOM 1377 N THR A 89 -8.011 7.269 7.796 1.00 0.00 N ATOM 1378 CA THR A 89 -9.144 8.168 7.510 1.00 0.00 C ATOM 1379 C THR A 89 -9.998 7.514 6.400 1.00 0.00 C ATOM 1380 O THR A 89 -9.498 7.366 5.284 1.00 0.00 O ATOM 1381 CB THR A 89 -8.700 9.601 7.136 1.00 0.00 C ATOM 1382 OG1 THR A 89 -8.321 10.328 8.283 1.00 0.00 O ATOM 1383 CG2 THR A 89 -9.776 10.447 6.488 1.00 0.00 C ATOM 0 H THR A 89 -8.234 6.320 7.495 1.00 0.00 H new ATOM 0 HA THR A 89 -9.738 8.293 8.415 1.00 0.00 H new ATOM 0 HB THR A 89 -7.884 9.436 6.433 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.420 10.059 8.558 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.375 11.435 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.108 9.969 5.566 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.620 10.547 7.170 1.00 0.00 H new ATOM 1391 N PRO A 90 -11.280 7.168 6.614 1.00 0.00 N ATOM 1392 CA PRO A 90 -12.103 6.523 5.592 1.00 0.00 C ATOM 1393 C PRO A 90 -12.460 7.467 4.439 1.00 0.00 C ATOM 1394 O PRO A 90 -12.818 7.007 3.354 1.00 0.00 O ATOM 1395 CB PRO A 90 -13.329 6.002 6.342 1.00 0.00 C ATOM 1396 CG PRO A 90 -13.532 7.069 7.415 1.00 0.00 C ATOM 1397 CD PRO A 90 -12.108 7.531 7.751 1.00 0.00 C ATOM 0 HA PRO A 90 -11.569 5.712 5.097 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.197 5.912 5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.152 5.018 6.776 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.143 7.893 7.048 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.037 6.663 8.291 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.080 8.607 7.924 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.749 7.052 8.662 1.00 0.00 H new ATOM 1405 N GLU A 91 -12.263 8.777 4.602 1.00 0.00 N ATOM 1406 CA GLU A 91 -12.448 9.731 3.515 1.00 0.00 C ATOM 1407 C GLU A 91 -11.519 9.452 2.357 1.00 0.00 C ATOM 1408 O GLU A 91 -11.760 9.914 1.241 1.00 0.00 O ATOM 1409 CB GLU A 91 -12.158 11.172 3.957 1.00 0.00 C ATOM 1410 CG GLU A 91 -13.432 11.820 4.417 1.00 0.00 C ATOM 1411 CD GLU A 91 -14.009 11.308 5.736 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -15.215 11.563 5.949 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -13.260 10.797 6.601 1.00 0.00 O ATOM 0 H GLU A 91 -11.973 9.200 5.484 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.490 9.619 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.424 11.176 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.727 11.738 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.257 12.892 4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.184 11.688 3.639 1.00 0.00 H new ATOM 1421 N ARG A 92 -10.418 8.748 2.610 1.00 0.00 N ATOM 1422 CA ARG A 92 -9.350 8.754 1.650 1.00 0.00 C ATOM 1423 C ARG A 92 -9.773 8.028 0.372 1.00 0.00 C ATOM 1424 O ARG A 92 -9.311 8.391 -0.712 1.00 0.00 O ATOM 1425 CB ARG A 92 -8.126 8.071 2.272 1.00 0.00 C ATOM 1426 CG ARG A 92 -7.487 8.810 3.449 1.00 0.00 C ATOM 1427 CD ARG A 92 -6.283 9.609 2.957 1.00 0.00 C ATOM 1428 NE ARG A 92 -5.504 10.166 4.069 1.00 0.00 N ATOM 1429 CZ ARG A 92 -4.232 10.559 3.968 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -3.558 10.417 2.828 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -3.643 11.089 5.031 1.00 0.00 N ATOM 0 H ARG A 92 -10.256 8.188 3.447 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.103 9.782 1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.418 7.075 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.372 7.939 1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.215 9.477 3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.176 8.098 4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.644 8.966 2.352 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.624 10.418 2.311 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.963 10.259 4.975 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.013 10.003 2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.587 10.723 2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.161 11.190 5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.672 11.396 4.976 1.00 0.00 H new ATOM 1445 N MET A 93 -10.689 7.062 0.502 1.00 0.00 N ATOM 1446 CA MET A 93 -11.309 6.342 -0.599 1.00 0.00 C ATOM 1447 C MET A 93 -12.018 7.299 -1.556 1.00 0.00 C ATOM 1448 O MET A 93 -12.255 8.478 -1.258 1.00 0.00 O ATOM 1449 CB MET A 93 -12.316 5.324 -0.045 1.00 0.00 C ATOM 1450 CG MET A 93 -11.612 4.172 0.672 1.00 0.00 C ATOM 1451 SD MET A 93 -12.698 2.762 1.049 1.00 0.00 S ATOM 1452 CE MET A 93 -14.022 3.561 2.014 1.00 0.00 C ATOM 0 H MET A 93 -11.027 6.754 1.414 1.00 0.00 H new ATOM 0 HA MET A 93 -10.526 5.825 -1.154 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.996 5.822 0.646 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.922 4.930 -0.860 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.784 3.825 0.054 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.182 4.545 1.601 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.710 2.802 2.386 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.585 4.099 2.856 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.564 4.261 1.378 1.00 0.00 H new ATOM 1462 N SER A 94 -12.374 6.786 -2.730 1.00 0.00 N ATOM 1463 CA SER A 94 -12.996 7.596 -3.751 1.00 0.00 C ATOM 1464 C SER A 94 -14.318 8.203 -3.267 1.00 0.00 C ATOM 1465 O SER A 94 -15.060 7.574 -2.503 1.00 0.00 O ATOM 1466 CB SER A 94 -13.195 6.781 -5.022 1.00 0.00 C ATOM 1467 OG SER A 94 -13.962 5.616 -4.795 1.00 0.00 O ATOM 0 H SER A 94 -12.238 5.809 -2.990 1.00 0.00 H new ATOM 0 HA SER A 94 -12.328 8.428 -3.975 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.688 7.398 -5.773 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.223 6.501 -5.428 1.00 0.00 H new ATOM 0 HG SER A 94 -14.067 5.124 -5.636 1.00 0.00 H new ATOM 1473 N PRO A 95 -14.657 9.398 -3.769 1.00 0.00 N ATOM 1474 CA PRO A 95 -15.912 10.052 -3.439 1.00 0.00 C ATOM 1475 C PRO A 95 -17.125 9.282 -3.981 1.00 0.00 C ATOM 1476 O PRO A 95 -18.229 9.422 -3.462 1.00 0.00 O ATOM 1477 CB PRO A 95 -15.789 11.457 -4.031 1.00 0.00 C ATOM 1478 CG PRO A 95 -14.769 11.315 -5.156 1.00 0.00 C ATOM 1479 CD PRO A 95 -13.850 10.214 -4.662 1.00 0.00 C ATOM 0 HA PRO A 95 -16.083 10.089 -2.363 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.748 11.813 -4.408 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.455 12.175 -3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.246 11.047 -6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.226 12.245 -5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.466 9.622 -5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.987 10.629 -4.141 1.00 0.00 H new ATOM 1487 N GLU A 96 -16.951 8.437 -5.004 1.00 0.00 N ATOM 1488 CA GLU A 96 -18.050 7.607 -5.484 1.00 0.00 C ATOM 1489 C GLU A 96 -18.287 6.424 -4.537 1.00 0.00 C ATOM 1490 O GLU A 96 -19.413 5.936 -4.444 1.00 0.00 O ATOM 1491 CB GLU A 96 -17.768 7.120 -6.913 1.00 0.00 C ATOM 1492 CG GLU A 96 -19.091 6.891 -7.660 1.00 0.00 C ATOM 1493 CD GLU A 96 -18.928 6.164 -8.996 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -17.848 6.259 -9.632 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -19.911 5.523 -9.428 1.00 0.00 O ATOM 0 H GLU A 96 -16.072 8.314 -5.506 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.958 8.210 -5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -17.163 7.855 -7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -17.192 6.195 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -19.762 6.315 -7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -19.569 7.855 -7.837 1.00 0.00 H new ATOM 1503 N LEU A 97 -17.249 5.933 -3.846 1.00 0.00 N ATOM 1504 CA LEU A 97 -17.396 4.858 -2.874 1.00 0.00 C ATOM 1505 C LEU A 97 -17.941 5.354 -1.557 1.00 0.00 C ATOM 1506 O LEU A 97 -18.722 4.626 -0.958 1.00 0.00 O ATOM 1507 CB LEU A 97 -16.073 4.158 -2.573 1.00 0.00 C ATOM 1508 CG LEU A 97 -15.784 2.994 -3.523 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -14.419 2.456 -3.131 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -16.782 1.845 -3.345 1.00 0.00 C ATOM 0 H LEU A 97 -16.292 6.272 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 97 -18.093 4.159 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -15.262 4.883 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -16.089 3.788 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 97 -15.845 3.349 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.158 1.619 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.673 3.244 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.445 2.119 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -16.539 1.041 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -16.727 1.471 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.791 2.205 -3.546 1.00 0.00 H new ATOM 1522 N ARG A 98 -17.561 6.550 -1.107 1.00 0.00 N ATOM 1523 CA ARG A 98 -18.178 7.173 0.060 1.00 0.00 C ATOM 1524 C ARG A 98 -19.693 7.175 -0.134 1.00 0.00 C ATOM 1525 O ARG A 98 -20.406 6.584 0.668 1.00 0.00 O ATOM 1526 CB ARG A 98 -17.624 8.591 0.224 1.00 0.00 C ATOM 1527 CG ARG A 98 -16.184 8.637 0.755 1.00 0.00 C ATOM 1528 CD ARG A 98 -15.774 10.091 1.024 1.00 0.00 C ATOM 1529 NE ARG A 98 -14.475 10.428 0.418 1.00 0.00 N ATOM 1530 CZ ARG A 98 -14.106 11.612 -0.078 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -14.948 12.637 -0.149 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -12.859 11.759 -0.505 1.00 0.00 N ATOM 0 H ARG A 98 -16.824 7.108 -1.538 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.948 6.618 0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.662 9.100 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.270 9.147 0.904 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -16.106 8.052 1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.505 8.186 0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -16.540 10.760 0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -15.725 10.259 2.100 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.785 9.679 0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.908 12.533 0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.635 13.528 -0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.206 10.978 -0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.553 12.654 -0.888 1.00 0.00 H new ATOM 1546 N GLU A 99 -20.163 7.693 -1.268 1.00 0.00 N ATOM 1547 CA GLU A 99 -21.578 7.711 -1.639 1.00 0.00 C ATOM 1548 C GLU A 99 -22.198 6.324 -1.905 1.00 0.00 C ATOM 1549 O GLU A 99 -23.421 6.228 -2.062 1.00 0.00 O ATOM 1550 CB GLU A 99 -21.727 8.613 -2.875 1.00 0.00 C ATOM 1551 CG GLU A 99 -22.026 10.072 -2.496 1.00 0.00 C ATOM 1552 CD GLU A 99 -23.434 10.445 -2.953 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -23.580 10.929 -4.094 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -24.418 10.158 -2.231 1.00 0.00 O ATOM 0 H GLU A 99 -19.558 8.121 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 99 -22.133 8.096 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -20.811 8.573 -3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -22.529 8.232 -3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -21.937 10.203 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -21.295 10.735 -2.959 1.00 0.00 H new ATOM 1562 N LYS A 100 -21.405 5.249 -1.976 1.00 0.00 N ATOM 1563 CA LYS A 100 -21.912 3.875 -1.987 1.00 0.00 C ATOM 1564 C LYS A 100 -22.053 3.387 -0.541 1.00 0.00 C ATOM 1565 O LYS A 100 -23.131 2.934 -0.172 1.00 0.00 O ATOM 1566 CB LYS A 100 -20.990 2.951 -2.806 1.00 0.00 C ATOM 1567 CG LYS A 100 -21.606 1.550 -2.989 1.00 0.00 C ATOM 1568 CD LYS A 100 -20.557 0.479 -3.320 1.00 0.00 C ATOM 1569 CE LYS A 100 -20.051 0.493 -4.765 1.00 0.00 C ATOM 1570 NZ LYS A 100 -21.009 -0.127 -5.703 1.00 0.00 N ATOM 0 H LYS A 100 -20.388 5.310 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 100 -22.890 3.852 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -20.802 3.397 -3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -20.026 2.862 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -22.132 1.267 -2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -22.347 1.585 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.706 0.607 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -20.983 -0.502 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.861 1.522 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.100 -0.036 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.622 -0.093 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -21.171 -1.117 -5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -21.909 0.392 -5.673 1.00 0.00 H new ATOM 1584 N PHE A 101 -20.952 3.406 0.213 1.00 0.00 N ATOM 1585 CA PHE A 101 -20.828 2.854 1.554 1.00 0.00 C ATOM 1586 C PHE A 101 -21.673 3.628 2.567 1.00 0.00 C ATOM 1587 O PHE A 101 -22.510 3.029 3.242 1.00 0.00 O ATOM 1588 CB PHE A 101 -19.336 2.830 1.947 1.00 0.00 C ATOM 1589 CG PHE A 101 -18.618 1.564 1.518 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -18.455 1.249 0.154 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -18.178 0.652 2.494 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -17.928 0.000 -0.225 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -17.630 -0.583 2.116 1.00 0.00 C ATOM 1594 CZ PHE A 101 -17.531 -0.925 0.757 1.00 0.00 C ATOM 0 H PHE A 101 -20.083 3.828 -0.115 1.00 0.00 H new ATOM 0 HA PHE A 101 -21.214 1.835 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -18.837 3.690 1.501 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -19.251 2.938 3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -18.735 1.968 -0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -18.262 0.904 3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -17.828 -0.248 -1.271 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -17.283 -1.272 2.872 1.00 0.00 H new ATOM 0 HZ PHE A 101 -17.152 -1.894 0.468 1.00 0.00 H new ATOM 1604 N GLY A 102 -21.450 4.937 2.686 1.00 0.00 N ATOM 1605 CA GLY A 102 -22.046 5.811 3.684 1.00 0.00 C ATOM 1606 C GLY A 102 -21.039 6.882 4.096 1.00 0.00 C ATOM 1607 O GLY A 102 -21.287 8.064 3.865 1.00 0.00 O ATOM 0 H GLY A 102 -20.819 5.435 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.945 6.278 3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.351 5.230 4.555 1.00 0.00 H new ATOM 1611 N VAL A 103 -19.896 6.451 4.643 1.00 0.00 N ATOM 1612 CA VAL A 103 -18.797 7.240 5.216 1.00 0.00 C ATOM 1613 C VAL A 103 -19.310 8.547 5.835 1.00 0.00 C ATOM 1614 O VAL A 103 -19.991 8.439 6.876 1.00 0.00 O ATOM 1615 CB VAL A 103 -17.633 7.356 4.197 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -16.368 7.955 4.832 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -17.243 5.968 3.639 1.00 0.00 C ATOM 0 H VAL A 103 -19.698 5.452 4.701 1.00 0.00 H new ATOM 0 HA VAL A 103 -18.357 6.724 6.069 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.997 8.008 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -15.579 8.018 4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -16.589 8.953 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -16.038 7.320 5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.425 6.079 2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.926 5.322 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.102 5.523 3.138 1.00 0.00 H new TER 1627 VAL A 103