USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 704 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 1 MET CE :methyl -119:sc= -0.985 (180deg=-2.31!) USER MOD Set 1.2: A 3 LYS NZ :NH3+ -160:sc= 0.00795 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -4.08! (180deg=-5.18!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 54:sc= 0.474 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc=-0.00263 X(o=-0.0026,f=0) USER MOD Single : A 12 HIS :FLIP no HE2:sc= -0.729 F(o=-1.4,f=-0.73) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.18 K(o=-1.2,f=-2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= -0.313 (180deg=-1.11) USER MOD Single : A 29 GLN : amide:sc= -0.381 K(o=-0.38,f=-2.5!) USER MOD Single : A 35 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.2) USER MOD Single : A 37 MET CE :methyl -142:sc= -0.69 (180deg=-1.07) USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0838) USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= -0.113 (180deg=-0.611) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -149:sc= -3.4 (180deg=-6.58!) USER MOD Single : A 67 GLN :FLIP amide:sc= 0.523 F(o=-1.2,f=0.52) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= -2.76 K(o=-2.8,f=-4!) USER MOD Single : A 81 GLN : amide:sc= 0.131 K(o=0.13,f=-5.2!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.898 -0.365 -4.944 1.00 0.00 N ATOM 2 CA MET A 1 -10.517 -0.848 -5.213 1.00 0.00 C ATOM 3 C MET A 1 -9.473 -0.118 -4.393 1.00 0.00 C ATOM 4 O MET A 1 -9.161 1.042 -4.652 1.00 0.00 O ATOM 5 CB MET A 1 -10.221 -0.668 -6.694 1.00 0.00 C ATOM 6 CG MET A 1 -9.040 -1.479 -7.197 1.00 0.00 C ATOM 7 SD MET A 1 -8.830 -1.360 -8.984 1.00 0.00 S ATOM 8 CE MET A 1 -7.998 0.219 -9.123 1.00 0.00 C ATOM 0 H1 MET A 1 -12.585 -1.056 -5.309 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.032 -0.251 -3.919 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.044 0.550 -5.416 1.00 0.00 H new ATOM 0 HA MET A 1 -10.466 -1.899 -4.927 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.107 -0.944 -7.266 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.032 0.388 -6.889 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.131 -1.135 -6.704 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.177 -2.524 -6.919 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.610 0.902 -9.712 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.843 0.637 -8.128 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.034 0.081 -9.613 1.00 0.00 H new ATOM 20 N PHE A 2 -8.912 -0.819 -3.420 1.00 0.00 N ATOM 21 CA PHE A 2 -7.882 -0.247 -2.573 1.00 0.00 C ATOM 22 C PHE A 2 -6.553 -0.221 -3.313 1.00 0.00 C ATOM 23 O PHE A 2 -6.274 -1.088 -4.138 1.00 0.00 O ATOM 24 CB PHE A 2 -7.754 -1.049 -1.279 1.00 0.00 C ATOM 25 CG PHE A 2 -8.937 -0.894 -0.367 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.046 -1.711 -0.508 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.942 0.073 0.624 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.138 -1.570 0.325 1.00 0.00 C ATOM 29 CE2 PHE A 2 -10.031 0.220 1.460 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.131 -0.603 1.311 1.00 0.00 C ATOM 0 H PHE A 2 -9.154 -1.785 -3.199 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.163 0.775 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.628 -2.104 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.853 -0.734 -0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.057 -2.468 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.085 0.719 0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.996 -2.215 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -10.023 0.978 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.984 -0.490 1.964 1.00 0.00 H new ATOM 40 N LYS A 3 -5.739 0.783 -3.023 1.00 0.00 N ATOM 41 CA LYS A 3 -4.444 0.920 -3.670 1.00 0.00 C ATOM 42 C LYS A 3 -3.321 0.677 -2.675 1.00 0.00 C ATOM 43 O LYS A 3 -3.219 1.367 -1.664 1.00 0.00 O ATOM 44 CB LYS A 3 -4.305 2.312 -4.287 1.00 0.00 C ATOM 45 CG LYS A 3 -4.960 2.441 -5.652 1.00 0.00 C ATOM 46 CD LYS A 3 -6.410 2.882 -5.533 1.00 0.00 C ATOM 47 CE LYS A 3 -6.798 3.826 -6.659 1.00 0.00 C ATOM 48 NZ LYS A 3 -8.198 3.602 -7.113 1.00 0.00 N ATOM 0 H LYS A 3 -5.953 1.514 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.375 0.174 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.745 3.045 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.247 2.556 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.408 3.161 -6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.911 1.485 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.060 2.007 -5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.564 3.376 -4.573 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.686 4.857 -6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.117 3.688 -7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.321 3.998 -8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.397 2.581 -7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.855 4.070 -6.456 1.00 0.00 H new ATOM 62 N VAL A 4 -2.480 -0.310 -2.956 1.00 0.00 N ATOM 63 CA VAL A 4 -1.371 -0.620 -2.062 1.00 0.00 C ATOM 64 C VAL A 4 -0.048 -0.102 -2.607 1.00 0.00 C ATOM 65 O VAL A 4 0.320 -0.370 -3.750 1.00 0.00 O ATOM 66 CB VAL A 4 -1.241 -2.133 -1.787 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.154 -2.473 -1.290 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.269 -2.577 -0.768 1.00 0.00 C ATOM 0 H VAL A 4 -2.542 -0.903 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.599 -0.114 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.418 -2.661 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.222 -3.545 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.888 -2.189 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.354 -1.930 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.163 -3.646 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.116 -2.033 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.270 -2.371 -1.147 1.00 0.00 H new ATOM 78 N TYR A 5 0.673 0.621 -1.759 1.00 0.00 N ATOM 79 CA TYR A 5 1.972 1.163 -2.122 1.00 0.00 C ATOM 80 C TYR A 5 3.069 0.360 -1.433 1.00 0.00 C ATOM 81 O TYR A 5 3.346 0.563 -0.255 1.00 0.00 O ATOM 82 CB TYR A 5 2.075 2.640 -1.715 1.00 0.00 C ATOM 83 CG TYR A 5 1.315 3.592 -2.617 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.201 3.171 -3.336 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.719 4.915 -2.757 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.485 4.038 -4.163 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.036 5.785 -3.585 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.064 5.342 -4.284 1.00 0.00 C ATOM 89 OH TYR A 5 -0.745 6.207 -5.110 1.00 0.00 O ATOM 0 H TYR A 5 0.376 0.845 -0.809 1.00 0.00 H new ATOM 0 HA TYR A 5 2.091 1.093 -3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.704 2.750 -0.696 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.126 2.929 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.133 2.148 -3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.580 5.268 -2.210 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.349 3.694 -4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.364 6.809 -3.683 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.320 7.089 -5.081 1.00 0.00 H new ATOM 99 N GLY A 6 3.677 -0.565 -2.164 1.00 0.00 N ATOM 100 CA GLY A 6 4.722 -1.385 -1.583 1.00 0.00 C ATOM 101 C GLY A 6 5.593 -2.046 -2.629 1.00 0.00 C ATOM 102 O GLY A 6 5.994 -1.410 -3.604 1.00 0.00 O ATOM 0 H GLY A 6 3.467 -0.762 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.344 -0.768 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.269 -2.152 -0.955 1.00 0.00 H new ATOM 106 N TYR A 7 5.898 -3.322 -2.421 1.00 0.00 N ATOM 107 CA TYR A 7 6.735 -4.067 -3.341 1.00 0.00 C ATOM 108 C TYR A 7 5.972 -5.219 -3.983 1.00 0.00 C ATOM 109 O TYR A 7 5.136 -5.858 -3.344 1.00 0.00 O ATOM 110 CB TYR A 7 7.949 -4.600 -2.593 1.00 0.00 C ATOM 111 CG TYR A 7 8.880 -3.512 -2.121 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.759 -2.895 -3.000 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.873 -3.093 -0.796 1.00 0.00 C ATOM 114 CE1 TYR A 7 10.607 -1.894 -2.572 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.716 -2.091 -0.360 1.00 0.00 C ATOM 116 CZ TYR A 7 10.582 -1.493 -1.252 1.00 0.00 C ATOM 117 OH TYR A 7 11.426 -0.494 -0.821 1.00 0.00 O ATOM 0 H TYR A 7 5.574 -3.860 -1.618 1.00 0.00 H new ATOM 0 HA TYR A 7 7.053 -3.396 -4.139 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.613 -5.180 -1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.497 -5.282 -3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.780 -3.203 -4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.196 -3.559 -0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.288 -1.426 -3.268 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.698 -1.777 0.673 1.00 0.00 H new ATOM 0 HH TYR A 7 11.310 0.298 -1.386 1.00 0.00 H new ATOM 127 N ASP A 8 6.274 -5.488 -5.249 1.00 0.00 N ATOM 128 CA ASP A 8 5.621 -6.572 -5.976 1.00 0.00 C ATOM 129 C ASP A 8 6.122 -7.935 -5.498 1.00 0.00 C ATOM 130 O ASP A 8 5.574 -8.969 -5.878 1.00 0.00 O ATOM 131 CB ASP A 8 5.866 -6.425 -7.480 1.00 0.00 C ATOM 132 CG ASP A 8 4.813 -7.134 -8.310 1.00 0.00 C ATOM 133 OD1 ASP A 8 3.722 -7.416 -7.770 1.00 0.00 O ATOM 134 OD2 ASP A 8 5.080 -7.408 -9.498 1.00 0.00 O ATOM 0 H ASP A 8 6.966 -4.972 -5.793 1.00 0.00 H new ATOM 0 HA ASP A 8 4.551 -6.512 -5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.879 -5.367 -7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.849 -6.826 -7.726 1.00 0.00 H new ATOM 139 N SER A 9 7.172 -7.928 -4.669 1.00 0.00 N ATOM 140 CA SER A 9 7.762 -9.158 -4.132 1.00 0.00 C ATOM 141 C SER A 9 8.779 -9.763 -5.103 1.00 0.00 C ATOM 142 O SER A 9 9.557 -10.639 -4.726 1.00 0.00 O ATOM 143 CB SER A 9 6.678 -10.190 -3.803 1.00 0.00 C ATOM 144 OG SER A 9 7.083 -11.034 -2.739 1.00 0.00 O ATOM 0 H SER A 9 7.634 -7.075 -4.353 1.00 0.00 H new ATOM 0 HA SER A 9 8.283 -8.889 -3.213 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.754 -9.678 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.464 -10.791 -4.687 1.00 0.00 H new ATOM 0 HG SER A 9 6.373 -11.682 -2.547 1.00 0.00 H new ATOM 150 N ASN A 10 8.771 -9.296 -6.351 1.00 0.00 N ATOM 151 CA ASN A 10 9.693 -9.801 -7.363 1.00 0.00 C ATOM 152 C ASN A 10 11.035 -9.074 -7.304 1.00 0.00 C ATOM 153 O ASN A 10 12.077 -9.651 -7.618 1.00 0.00 O ATOM 154 CB ASN A 10 9.080 -9.648 -8.756 1.00 0.00 C ATOM 155 CG ASN A 10 8.362 -10.902 -9.214 1.00 0.00 C ATOM 156 OD1 ASN A 10 7.136 -10.921 -9.331 1.00 0.00 O ATOM 157 ND2 ASN A 10 9.122 -11.959 -9.475 1.00 0.00 N ATOM 0 H ASN A 10 8.137 -8.570 -6.683 1.00 0.00 H new ATOM 0 HA ASN A 10 9.869 -10.857 -7.159 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.379 -8.813 -8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.866 -9.401 -9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.694 -12.831 -9.786 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.134 -11.899 -9.365 1.00 0.00 H new ATOM 164 N ILE A 11 11.004 -7.806 -6.908 1.00 0.00 N ATOM 165 CA ILE A 11 12.220 -7.003 -6.821 1.00 0.00 C ATOM 166 C ILE A 11 12.731 -6.910 -5.388 1.00 0.00 C ATOM 167 O ILE A 11 13.938 -6.923 -5.148 1.00 0.00 O ATOM 168 CB ILE A 11 11.996 -5.570 -7.342 1.00 0.00 C ATOM 169 CG1 ILE A 11 11.274 -5.584 -8.689 1.00 0.00 C ATOM 170 CG2 ILE A 11 13.327 -4.842 -7.460 1.00 0.00 C ATOM 171 CD1 ILE A 11 9.797 -5.889 -8.584 1.00 0.00 C ATOM 0 H ILE A 11 10.152 -7.312 -6.642 1.00 0.00 H new ATOM 0 HA ILE A 11 12.958 -7.509 -7.444 1.00 0.00 H new ATOM 0 HB ILE A 11 11.366 -5.040 -6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.402 -4.614 -9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.744 -6.325 -9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.157 -3.831 -7.829 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.804 -4.796 -6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.974 -5.378 -8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.352 -5.882 -9.579 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.660 -6.871 -8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.313 -5.134 -7.965 1.00 0.00 H new ATOM 183 N HIS A 12 11.808 -6.797 -4.442 1.00 0.00 N ATOM 184 CA HIS A 12 12.168 -6.679 -3.041 1.00 0.00 C ATOM 185 C HIS A 12 11.220 -7.509 -2.177 1.00 0.00 C ATOM 186 O HIS A 12 10.309 -8.154 -2.693 1.00 0.00 O ATOM 187 CB HIS A 12 12.119 -5.204 -2.630 1.00 0.00 C ATOM 188 CG HIS A 12 12.929 -4.876 -1.414 1.00 0.00 C ATOM 189 ND1 HIS A 12 12.606 -4.136 -0.324 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 14.222 -5.304 -1.214 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 13.691 -4.109 0.548 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 14.635 -4.826 -0.033 1.00 0.00 N flip ATOM 0 H HIS A 12 10.804 -6.785 -4.623 1.00 0.00 H new ATOM 0 HA HIS A 12 13.179 -7.059 -2.893 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.472 -4.595 -3.462 1.00 0.00 H new ATOM 0 HB3 HIS A 12 11.081 -4.924 -2.448 1.00 0.00 H new ATOM 0 HD1 HIS A 12 11.711 -3.673 -0.168 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.801 -5.917 -1.890 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.748 -3.606 1.502 1.00 0.00 H new ATOM 200 N LYS A 13 11.441 -7.502 -0.865 1.00 0.00 N ATOM 201 CA LYS A 13 10.596 -8.263 0.050 1.00 0.00 C ATOM 202 C LYS A 13 9.204 -7.643 0.145 1.00 0.00 C ATOM 203 O LYS A 13 8.991 -6.512 -0.289 1.00 0.00 O ATOM 204 CB LYS A 13 11.237 -8.330 1.438 1.00 0.00 C ATOM 205 CG LYS A 13 11.291 -6.990 2.152 1.00 0.00 C ATOM 206 CD LYS A 13 12.088 -7.080 3.442 1.00 0.00 C ATOM 207 CE LYS A 13 11.452 -8.053 4.421 1.00 0.00 C ATOM 208 NZ LYS A 13 12.285 -8.240 5.640 1.00 0.00 N ATOM 0 H LYS A 13 12.193 -6.981 -0.414 1.00 0.00 H new ATOM 0 HA LYS A 13 10.497 -9.275 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.679 -9.037 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.250 -8.722 1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.741 -6.245 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.278 -6.652 2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.107 -7.398 3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.155 -6.093 3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.466 -7.687 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.304 -9.016 3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.816 -8.911 6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.217 -8.614 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.405 -7.326 6.122 1.00 0.00 H new ATOM 222 N CYS A 14 8.263 -8.391 0.715 1.00 0.00 N ATOM 223 CA CYS A 14 6.891 -7.909 0.865 1.00 0.00 C ATOM 224 C CYS A 14 6.029 -8.922 1.615 1.00 0.00 C ATOM 225 O CYS A 14 5.159 -9.567 1.029 1.00 0.00 O ATOM 226 CB CYS A 14 6.278 -7.624 -0.507 1.00 0.00 C ATOM 227 SG CYS A 14 4.853 -6.492 -0.463 1.00 0.00 S ATOM 0 H CYS A 14 8.423 -9.330 1.080 1.00 0.00 H new ATOM 0 HA CYS A 14 6.922 -6.987 1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.045 -7.200 -1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.966 -8.567 -0.957 1.00 0.00 H new ATOM 232 N VAL A 15 6.274 -9.058 2.913 1.00 0.00 N ATOM 233 CA VAL A 15 5.516 -9.993 3.739 1.00 0.00 C ATOM 234 C VAL A 15 4.287 -9.333 4.356 1.00 0.00 C ATOM 235 O VAL A 15 3.345 -10.016 4.762 1.00 0.00 O ATOM 236 CB VAL A 15 6.384 -10.573 4.871 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.439 -11.511 4.308 1.00 0.00 C ATOM 238 CG2 VAL A 15 7.028 -9.457 5.677 1.00 0.00 C ATOM 0 H VAL A 15 6.990 -8.534 3.416 1.00 0.00 H new ATOM 0 HA VAL A 15 5.196 -10.797 3.077 1.00 0.00 H new ATOM 0 HB VAL A 15 5.741 -11.146 5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.042 -11.911 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.952 -12.331 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.080 -10.964 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.637 -9.887 6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.658 -8.853 5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.252 -8.829 6.114 1.00 0.00 H new ATOM 248 N TYR A 16 4.304 -8.007 4.441 1.00 0.00 N ATOM 249 CA TYR A 16 3.193 -7.268 5.029 1.00 0.00 C ATOM 250 C TYR A 16 2.048 -7.081 4.037 1.00 0.00 C ATOM 251 O TYR A 16 0.901 -6.880 4.439 1.00 0.00 O ATOM 252 CB TYR A 16 3.673 -5.909 5.539 1.00 0.00 C ATOM 253 CG TYR A 16 3.878 -5.871 7.038 1.00 0.00 C ATOM 254 CD1 TYR A 16 2.816 -5.622 7.897 1.00 0.00 C ATOM 255 CD2 TYR A 16 5.133 -6.089 7.591 1.00 0.00 C ATOM 256 CE1 TYR A 16 2.999 -5.590 9.266 1.00 0.00 C ATOM 257 CE2 TYR A 16 5.324 -6.059 8.959 1.00 0.00 C ATOM 258 CZ TYR A 16 4.254 -5.809 9.792 1.00 0.00 C ATOM 259 OH TYR A 16 4.441 -5.777 11.155 1.00 0.00 O ATOM 0 H TYR A 16 5.073 -7.423 4.111 1.00 0.00 H new ATOM 0 HA TYR A 16 2.814 -7.855 5.866 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.610 -5.653 5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.946 -5.146 5.259 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.831 -5.451 7.488 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.973 -6.285 6.941 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.163 -5.394 9.921 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.306 -6.230 9.374 1.00 0.00 H new ATOM 0 HH TYR A 16 5.383 -5.952 11.360 1.00 0.00 H new ATOM 269 N CYS A 17 2.352 -7.149 2.745 1.00 0.00 N ATOM 270 CA CYS A 17 1.324 -6.988 1.724 1.00 0.00 C ATOM 271 C CYS A 17 0.505 -8.263 1.584 1.00 0.00 C ATOM 272 O CYS A 17 -0.725 -8.221 1.532 1.00 0.00 O ATOM 273 CB CYS A 17 1.946 -6.609 0.378 1.00 0.00 C ATOM 274 SG CYS A 17 3.269 -7.729 -0.177 1.00 0.00 S ATOM 0 H CYS A 17 3.291 -7.313 2.383 1.00 0.00 H new ATOM 0 HA CYS A 17 0.663 -6.180 2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.162 -6.589 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.347 -5.598 0.448 1.00 0.00 H new ATOM 279 N ASP A 18 1.191 -9.402 1.543 1.00 0.00 N ATOM 280 CA ASP A 18 0.523 -10.694 1.422 1.00 0.00 C ATOM 281 C ASP A 18 -0.582 -10.830 2.466 1.00 0.00 C ATOM 282 O ASP A 18 -1.619 -11.445 2.214 1.00 0.00 O ATOM 283 CB ASP A 18 1.533 -11.835 1.585 1.00 0.00 C ATOM 284 CG ASP A 18 2.785 -11.633 0.750 1.00 0.00 C ATOM 285 OD1 ASP A 18 2.868 -10.611 0.037 1.00 0.00 O ATOM 286 OD2 ASP A 18 3.683 -12.499 0.810 1.00 0.00 O ATOM 0 H ASP A 18 2.208 -9.456 1.592 1.00 0.00 H new ATOM 0 HA ASP A 18 0.077 -10.753 0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.812 -11.921 2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.061 -12.776 1.303 1.00 0.00 H new ATOM 291 N ASN A 19 -0.351 -10.245 3.638 1.00 0.00 N ATOM 292 CA ASN A 19 -1.325 -10.292 4.723 1.00 0.00 C ATOM 293 C ASN A 19 -2.510 -9.382 4.422 1.00 0.00 C ATOM 294 O ASN A 19 -3.651 -9.838 4.341 1.00 0.00 O ATOM 295 CB ASN A 19 -0.674 -9.881 6.048 1.00 0.00 C ATOM 296 CG ASN A 19 0.735 -10.425 6.204 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.618 -9.750 6.735 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.953 -11.651 5.742 1.00 0.00 N ATOM 0 H ASN A 19 0.503 -9.733 3.860 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.685 -11.317 4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.648 -8.793 6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.289 -10.235 6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.881 -12.068 5.820 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.193 -12.175 5.309 1.00 0.00 H new ATOM 305 N ALA A 20 -2.232 -8.092 4.249 1.00 0.00 N ATOM 306 CA ALA A 20 -3.273 -7.117 3.950 1.00 0.00 C ATOM 307 C ALA A 20 -4.077 -7.538 2.725 1.00 0.00 C ATOM 308 O ALA A 20 -5.302 -7.418 2.703 1.00 0.00 O ATOM 309 CB ALA A 20 -2.662 -5.741 3.737 1.00 0.00 C ATOM 0 H ALA A 20 -1.293 -7.699 4.311 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.952 -7.071 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.451 -5.023 3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.135 -5.433 4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.961 -5.779 2.903 1.00 0.00 H new ATOM 315 N LYS A 21 -3.381 -8.044 1.710 1.00 0.00 N ATOM 316 CA LYS A 21 -4.031 -8.493 0.484 1.00 0.00 C ATOM 317 C LYS A 21 -5.120 -9.510 0.804 1.00 0.00 C ATOM 318 O LYS A 21 -6.257 -9.385 0.350 1.00 0.00 O ATOM 319 CB LYS A 21 -3.003 -9.107 -0.468 1.00 0.00 C ATOM 320 CG LYS A 21 -3.605 -9.624 -1.766 1.00 0.00 C ATOM 321 CD LYS A 21 -2.537 -9.866 -2.820 1.00 0.00 C ATOM 322 CE LYS A 21 -3.147 -10.042 -4.201 1.00 0.00 C ATOM 323 NZ LYS A 21 -2.142 -10.506 -5.197 1.00 0.00 N ATOM 0 H LYS A 21 -2.367 -8.153 1.713 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.488 -7.631 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.245 -8.359 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.496 -9.928 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.144 -10.552 -1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.332 -8.905 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.841 -9.028 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.962 -10.754 -2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.964 -10.761 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.576 -9.096 -4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.598 -10.614 -6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.374 -9.808 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.751 -11.421 -4.895 1.00 0.00 H new ATOM 337 N ARG A 22 -4.764 -10.511 1.604 1.00 0.00 N ATOM 338 CA ARG A 22 -5.712 -11.545 1.999 1.00 0.00 C ATOM 339 C ARG A 22 -6.831 -10.942 2.842 1.00 0.00 C ATOM 340 O ARG A 22 -7.971 -11.402 2.804 1.00 0.00 O ATOM 341 CB ARG A 22 -5.000 -12.648 2.784 1.00 0.00 C ATOM 342 CG ARG A 22 -5.780 -13.952 2.846 1.00 0.00 C ATOM 343 CD ARG A 22 -5.922 -14.584 1.470 1.00 0.00 C ATOM 344 NE ARG A 22 -5.078 -15.767 1.320 1.00 0.00 N ATOM 345 CZ ARG A 22 -5.030 -16.509 0.217 1.00 0.00 C ATOM 346 NH1 ARG A 22 -5.776 -16.195 -0.836 1.00 0.00 N ATOM 347 NH2 ARG A 22 -4.234 -17.568 0.164 1.00 0.00 N ATOM 0 H ARG A 22 -3.827 -10.627 1.990 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.145 -11.980 1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.028 -12.837 2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.813 -12.297 3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.275 -14.647 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.769 -13.766 3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.964 -14.859 1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.659 -13.852 0.706 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.491 -16.040 2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.390 -15.381 -0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.735 -16.768 -1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.658 -17.814 0.969 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.197 -18.137 -0.682 1.00 0.00 H new ATOM 361 N LEU A 23 -6.492 -9.897 3.594 1.00 0.00 N ATOM 362 CA LEU A 23 -7.461 -9.212 4.442 1.00 0.00 C ATOM 363 C LEU A 23 -8.645 -8.728 3.612 1.00 0.00 C ATOM 364 O LEU A 23 -9.800 -8.991 3.944 1.00 0.00 O ATOM 365 CB LEU A 23 -6.792 -8.027 5.146 1.00 0.00 C ATOM 366 CG LEU A 23 -7.508 -7.517 6.398 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.731 -6.368 7.027 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.923 -7.079 6.062 1.00 0.00 C ATOM 0 H LEU A 23 -5.551 -9.506 3.632 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.827 -9.912 5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.777 -8.315 5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.708 -7.204 4.436 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.562 -8.333 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.255 -6.018 7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.735 -6.712 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.646 -5.551 6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.417 -6.719 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.890 -6.278 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.479 -7.924 5.657 1.00 0.00 H new ATOM 380 N LEU A 24 -8.345 -8.025 2.525 1.00 0.00 N ATOM 381 CA LEU A 24 -9.379 -7.507 1.638 1.00 0.00 C ATOM 382 C LEU A 24 -10.217 -8.643 1.066 1.00 0.00 C ATOM 383 O LEU A 24 -11.446 -8.625 1.148 1.00 0.00 O ATOM 384 CB LEU A 24 -8.749 -6.702 0.501 1.00 0.00 C ATOM 385 CG LEU A 24 -8.017 -5.431 0.937 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.711 -5.279 0.175 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.898 -4.208 0.729 1.00 0.00 C ATOM 0 H LEU A 24 -7.392 -7.801 2.237 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.029 -6.853 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.047 -7.343 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.531 -6.428 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.789 -5.515 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.205 -4.370 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.072 -6.140 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.918 -5.218 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.360 -3.314 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.157 -4.122 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.809 -4.311 1.319 1.00 0.00 H new ATOM 399 N THR A 25 -9.544 -9.638 0.491 1.00 0.00 N ATOM 400 CA THR A 25 -10.227 -10.789 -0.091 1.00 0.00 C ATOM 401 C THR A 25 -11.215 -11.387 0.906 1.00 0.00 C ATOM 402 O THR A 25 -12.316 -11.796 0.539 1.00 0.00 O ATOM 403 CB THR A 25 -9.210 -11.849 -0.518 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.278 -11.309 -1.437 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.845 -13.061 -1.166 1.00 0.00 C ATOM 0 H THR A 25 -8.527 -9.669 0.416 1.00 0.00 H new ATOM 0 HA THR A 25 -10.778 -10.453 -0.969 1.00 0.00 H new ATOM 0 HB THR A 25 -8.719 -12.165 0.402 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.635 -12.002 -1.696 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.068 -13.773 -1.445 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.533 -13.531 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.391 -12.753 -2.057 1.00 0.00 H new ATOM 413 N VAL A 26 -10.813 -11.421 2.173 1.00 0.00 N ATOM 414 CA VAL A 26 -11.657 -11.953 3.234 1.00 0.00 C ATOM 415 C VAL A 26 -12.881 -11.067 3.444 1.00 0.00 C ATOM 416 O VAL A 26 -13.955 -11.545 3.808 1.00 0.00 O ATOM 417 CB VAL A 26 -10.876 -12.068 4.559 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.756 -12.639 5.661 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.630 -12.921 4.371 1.00 0.00 C ATOM 0 H VAL A 26 -9.904 -11.084 2.489 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.981 -12.948 2.928 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.567 -11.067 4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.182 -12.710 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.614 -11.985 5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.103 -13.631 5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.091 -12.991 5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.919 -13.919 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.986 -12.464 3.619 1.00 0.00 H new ATOM 429 N LYS A 27 -12.707 -9.771 3.205 1.00 0.00 N ATOM 430 CA LYS A 27 -13.791 -8.807 3.358 1.00 0.00 C ATOM 431 C LYS A 27 -14.624 -8.706 2.079 1.00 0.00 C ATOM 432 O LYS A 27 -15.675 -8.066 2.065 1.00 0.00 O ATOM 433 CB LYS A 27 -13.228 -7.432 3.725 1.00 0.00 C ATOM 434 CG LYS A 27 -13.310 -7.117 5.209 1.00 0.00 C ATOM 435 CD LYS A 27 -12.001 -7.425 5.918 1.00 0.00 C ATOM 436 CE LYS A 27 -12.238 -8.098 7.261 1.00 0.00 C ATOM 437 NZ LYS A 27 -12.180 -9.582 7.157 1.00 0.00 N ATOM 0 H LYS A 27 -11.822 -9.363 2.903 1.00 0.00 H new ATOM 0 HA LYS A 27 -14.440 -9.155 4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.186 -7.379 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.770 -6.667 3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.560 -6.065 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.115 -7.697 5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.389 -8.072 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.441 -6.502 6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.490 -7.755 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.211 -7.799 7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.347 -10.002 8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.910 -9.912 6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.243 -9.869 6.810 1.00 0.00 H new ATOM 451 N LYS A 28 -14.142 -9.333 1.005 1.00 0.00 N ATOM 452 CA LYS A 28 -14.835 -9.311 -0.282 1.00 0.00 C ATOM 453 C LYS A 28 -14.759 -7.924 -0.916 1.00 0.00 C ATOM 454 O LYS A 28 -15.775 -7.346 -1.304 1.00 0.00 O ATOM 455 CB LYS A 28 -16.298 -9.748 -0.122 1.00 0.00 C ATOM 456 CG LYS A 28 -16.544 -11.196 -0.514 1.00 0.00 C ATOM 457 CD LYS A 28 -15.782 -12.153 0.388 1.00 0.00 C ATOM 458 CE LYS A 28 -15.744 -13.556 -0.195 1.00 0.00 C ATOM 459 NZ LYS A 28 -15.394 -13.547 -1.643 1.00 0.00 N ATOM 0 H LYS A 28 -13.271 -9.864 1.002 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.336 -10.019 -0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.601 -9.604 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.931 -9.102 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.611 -11.413 -0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.241 -11.351 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.764 -11.789 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.251 -12.179 1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.016 -14.156 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.715 -14.032 -0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.955 -14.454 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.256 -13.407 -2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.726 -12.773 -1.834 1.00 0.00 H new ATOM 473 N GLN A 29 -13.543 -7.400 -1.021 1.00 0.00 N ATOM 474 CA GLN A 29 -13.327 -6.085 -1.608 1.00 0.00 C ATOM 475 C GLN A 29 -12.218 -6.137 -2.657 1.00 0.00 C ATOM 476 O GLN A 29 -11.172 -6.746 -2.432 1.00 0.00 O ATOM 477 CB GLN A 29 -12.966 -5.069 -0.521 1.00 0.00 C ATOM 478 CG GLN A 29 -14.177 -4.424 0.135 1.00 0.00 C ATOM 479 CD GLN A 29 -14.610 -3.148 -0.562 1.00 0.00 C ATOM 480 OE1 GLN A 29 -13.787 -2.420 -1.117 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.908 -2.871 -0.535 1.00 0.00 N ATOM 0 H GLN A 29 -12.692 -7.867 -0.707 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.252 -5.774 -2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.369 -5.565 0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.341 -4.290 -0.957 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.005 -5.132 0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.946 -4.204 1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.555 -3.503 -0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.259 -2.026 -0.986 1.00 0.00 H new ATOM 490 N PRO A 30 -12.423 -5.489 -3.817 1.00 0.00 N ATOM 491 CA PRO A 30 -11.427 -5.459 -4.891 1.00 0.00 C ATOM 492 C PRO A 30 -10.357 -4.414 -4.625 1.00 0.00 C ATOM 493 O PRO A 30 -10.592 -3.466 -3.883 1.00 0.00 O ATOM 494 CB PRO A 30 -12.261 -5.050 -6.099 1.00 0.00 C ATOM 495 CG PRO A 30 -13.266 -4.122 -5.517 1.00 0.00 C ATOM 496 CD PRO A 30 -13.633 -4.718 -4.181 1.00 0.00 C ATOM 0 HA PRO A 30 -10.898 -6.405 -5.008 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.654 -4.561 -6.861 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.734 -5.911 -6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.854 -3.119 -5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.140 -4.035 -6.162 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.858 -3.948 -3.443 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.513 -5.357 -4.252 1.00 0.00 H new ATOM 504 N PHE A 31 -9.186 -4.583 -5.228 1.00 0.00 N ATOM 505 CA PHE A 31 -8.101 -3.630 -5.038 1.00 0.00 C ATOM 506 C PHE A 31 -7.044 -3.749 -6.134 1.00 0.00 C ATOM 507 O PHE A 31 -7.070 -4.681 -6.936 1.00 0.00 O ATOM 508 CB PHE A 31 -7.461 -3.823 -3.677 1.00 0.00 C ATOM 509 CG PHE A 31 -7.095 -5.244 -3.413 1.00 0.00 C ATOM 510 CD1 PHE A 31 -8.077 -6.165 -3.109 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.781 -5.664 -3.488 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.760 -7.484 -2.879 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.452 -6.985 -3.262 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.443 -7.899 -2.956 1.00 0.00 C ATOM 0 H PHE A 31 -8.965 -5.363 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.531 -2.630 -5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.567 -3.203 -3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.148 -3.479 -2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.107 -5.846 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.004 -4.952 -3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.538 -8.194 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.422 -7.304 -3.324 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.190 -8.934 -2.778 1.00 0.00 H new ATOM 524 N GLU A 32 -6.105 -2.803 -6.150 1.00 0.00 N ATOM 525 CA GLU A 32 -5.032 -2.805 -7.137 1.00 0.00 C ATOM 526 C GLU A 32 -3.688 -2.543 -6.465 1.00 0.00 C ATOM 527 O GLU A 32 -3.568 -1.650 -5.626 1.00 0.00 O ATOM 528 CB GLU A 32 -5.294 -1.746 -8.212 1.00 0.00 C ATOM 529 CG GLU A 32 -5.064 -2.247 -9.629 1.00 0.00 C ATOM 530 CD GLU A 32 -5.855 -3.501 -9.939 1.00 0.00 C ATOM 531 OE1 GLU A 32 -6.980 -3.639 -9.412 1.00 0.00 O ATOM 532 OE2 GLU A 32 -5.353 -4.346 -10.710 1.00 0.00 O ATOM 0 H GLU A 32 -6.068 -2.027 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.003 -3.787 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.322 -1.396 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.648 -0.888 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.339 -1.464 -10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.002 -2.447 -9.772 1.00 0.00 H new ATOM 539 N PHE A 33 -2.682 -3.330 -6.830 1.00 0.00 N ATOM 540 CA PHE A 33 -1.358 -3.185 -6.255 1.00 0.00 C ATOM 541 C PHE A 33 -0.507 -2.200 -7.050 1.00 0.00 C ATOM 542 O PHE A 33 -0.721 -1.995 -8.244 1.00 0.00 O ATOM 543 CB PHE A 33 -0.660 -4.540 -6.210 1.00 0.00 C ATOM 544 CG PHE A 33 0.485 -4.568 -5.250 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.251 -4.639 -3.893 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.789 -4.508 -5.705 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.301 -4.649 -2.996 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.846 -4.521 -4.816 1.00 0.00 C ATOM 549 CZ PHE A 33 2.602 -4.590 -3.458 1.00 0.00 C ATOM 0 H PHE A 33 -2.762 -4.075 -7.523 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.475 -2.795 -5.244 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.382 -5.307 -5.930 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.299 -4.791 -7.207 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.764 -4.687 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.983 -4.450 -6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.106 -4.703 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.861 -4.477 -5.182 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.426 -4.598 -2.759 1.00 0.00 H new ATOM 559 N ILE A 34 0.468 -1.601 -6.371 1.00 0.00 N ATOM 560 CA ILE A 34 1.374 -0.644 -6.996 1.00 0.00 C ATOM 561 C ILE A 34 2.757 -0.746 -6.372 1.00 0.00 C ATOM 562 O ILE A 34 2.928 -0.541 -5.169 1.00 0.00 O ATOM 563 CB ILE A 34 0.876 0.805 -6.866 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.631 0.880 -7.103 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.616 1.707 -7.843 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.247 2.196 -6.679 1.00 0.00 C ATOM 0 H ILE A 34 0.651 -1.764 -5.381 1.00 0.00 H new ATOM 0 HA ILE A 34 1.415 -0.895 -8.056 1.00 0.00 H new ATOM 0 HB ILE A 34 1.079 1.150 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.832 0.719 -8.162 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.116 0.069 -6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.253 2.730 -7.740 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.684 1.677 -7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.441 1.361 -8.862 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.319 2.177 -6.877 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.078 2.350 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.789 3.010 -7.241 1.00 0.00 H new ATOM 578 N ASN A 35 3.733 -1.074 -7.196 1.00 0.00 N ATOM 579 CA ASN A 35 5.110 -1.220 -6.738 1.00 0.00 C ATOM 580 C ASN A 35 5.934 0.020 -7.062 1.00 0.00 C ATOM 581 O ASN A 35 5.862 0.556 -8.168 1.00 0.00 O ATOM 582 CB ASN A 35 5.752 -2.454 -7.373 1.00 0.00 C ATOM 583 CG ASN A 35 5.840 -2.349 -8.884 1.00 0.00 C ATOM 584 OD1 ASN A 35 6.736 -1.698 -9.421 1.00 0.00 O ATOM 585 ND2 ASN A 35 4.908 -2.992 -9.578 1.00 0.00 N ATOM 0 H ASN A 35 3.601 -1.246 -8.193 1.00 0.00 H new ATOM 0 HA ASN A 35 5.091 -1.343 -5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.752 -2.591 -6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.174 -3.339 -7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.917 -2.958 -10.597 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.183 -3.520 -9.092 1.00 0.00 H new ATOM 592 N ILE A 36 6.724 0.463 -6.091 1.00 0.00 N ATOM 593 CA ILE A 36 7.570 1.636 -6.270 1.00 0.00 C ATOM 594 C ILE A 36 9.000 1.236 -6.627 1.00 0.00 C ATOM 595 O ILE A 36 9.935 2.017 -6.458 1.00 0.00 O ATOM 596 CB ILE A 36 7.586 2.512 -5.003 1.00 0.00 C ATOM 597 CG1 ILE A 36 8.256 1.774 -3.843 1.00 0.00 C ATOM 598 CG2 ILE A 36 6.168 2.909 -4.633 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.365 2.602 -2.582 1.00 0.00 C ATOM 0 H ILE A 36 6.796 0.027 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 36 7.147 2.212 -7.093 1.00 0.00 H new ATOM 0 HB ILE A 36 8.164 3.413 -5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.691 0.868 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.254 1.461 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.186 3.528 -3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.722 3.471 -5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.577 2.013 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.850 2.015 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.955 3.496 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.368 2.893 -2.250 1.00 0.00 H new ATOM 611 N MET A 37 9.158 0.014 -7.122 1.00 0.00 N ATOM 612 CA MET A 37 10.467 -0.495 -7.503 1.00 0.00 C ATOM 613 C MET A 37 10.359 -1.391 -8.736 1.00 0.00 C ATOM 614 O MET A 37 10.508 -2.610 -8.646 1.00 0.00 O ATOM 615 CB MET A 37 11.094 -1.265 -6.338 1.00 0.00 C ATOM 616 CG MET A 37 12.452 -1.871 -6.658 1.00 0.00 C ATOM 617 SD MET A 37 13.826 -0.820 -6.144 1.00 0.00 S ATOM 618 CE MET A 37 13.937 -1.214 -4.400 1.00 0.00 C ATOM 0 H MET A 37 8.392 -0.644 -7.269 1.00 0.00 H new ATOM 0 HA MET A 37 11.108 0.351 -7.750 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.199 -0.593 -5.486 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.414 -2.061 -6.034 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.538 -2.840 -6.166 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.520 -2.052 -7.731 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.172 -0.311 -3.837 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.985 -1.618 -4.057 1.00 0.00 H new ATOM 0 HE3 MET A 37 14.722 -1.954 -4.243 1.00 0.00 H new ATOM 628 N PRO A 38 10.085 -0.793 -9.910 1.00 0.00 N ATOM 629 CA PRO A 38 9.943 -1.529 -11.165 1.00 0.00 C ATOM 630 C PRO A 38 11.272 -1.722 -11.892 1.00 0.00 C ATOM 631 O PRO A 38 11.322 -1.723 -13.121 1.00 0.00 O ATOM 632 CB PRO A 38 9.026 -0.617 -11.972 1.00 0.00 C ATOM 633 CG PRO A 38 9.390 0.763 -11.533 1.00 0.00 C ATOM 634 CD PRO A 38 9.874 0.655 -10.105 1.00 0.00 C ATOM 0 HA PRO A 38 9.564 -2.540 -11.013 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.180 -0.746 -13.043 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.976 -0.833 -11.773 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.167 1.180 -12.174 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.530 1.429 -11.600 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.795 1.217 -9.952 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.139 1.050 -9.403 1.00 0.00 H new ATOM 642 N GLU A 39 12.345 -1.887 -11.126 1.00 0.00 N ATOM 643 CA GLU A 39 13.670 -2.080 -11.701 1.00 0.00 C ATOM 644 C GLU A 39 14.446 -3.133 -10.919 1.00 0.00 C ATOM 645 O GLU A 39 14.022 -3.560 -9.847 1.00 0.00 O ATOM 646 CB GLU A 39 14.443 -0.759 -11.703 1.00 0.00 C ATOM 647 CG GLU A 39 15.443 -0.639 -12.843 1.00 0.00 C ATOM 648 CD GLU A 39 15.674 0.799 -13.265 1.00 0.00 C ATOM 649 OE1 GLU A 39 14.854 1.666 -12.896 1.00 0.00 O ATOM 650 OE2 GLU A 39 16.676 1.058 -13.965 1.00 0.00 O ATOM 0 H GLU A 39 12.323 -1.891 -10.106 1.00 0.00 H new ATOM 0 HA GLU A 39 13.551 -2.425 -12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.734 0.067 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.971 -0.656 -10.755 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.391 -1.081 -12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.084 -1.212 -13.698 1.00 0.00 H new ATOM 657 N LYS A 40 15.591 -3.544 -11.456 1.00 0.00 N ATOM 658 CA LYS A 40 16.426 -4.548 -10.800 1.00 0.00 C ATOM 659 C LYS A 40 16.947 -4.063 -9.454 1.00 0.00 C ATOM 660 O LYS A 40 17.549 -4.820 -8.693 1.00 0.00 O ATOM 661 CB LYS A 40 17.588 -4.963 -11.704 1.00 0.00 C ATOM 662 CG LYS A 40 18.471 -3.802 -12.134 1.00 0.00 C ATOM 663 CD LYS A 40 19.580 -3.543 -11.129 1.00 0.00 C ATOM 664 CE LYS A 40 20.825 -2.990 -11.804 1.00 0.00 C ATOM 665 NZ LYS A 40 20.530 -1.763 -12.594 1.00 0.00 N ATOM 0 H LYS A 40 15.962 -3.199 -12.341 1.00 0.00 H new ATOM 0 HA LYS A 40 15.797 -5.419 -10.615 1.00 0.00 H new ATOM 0 HB2 LYS A 40 18.199 -5.699 -11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.189 -5.453 -12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.906 -4.017 -13.110 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.864 -2.904 -12.246 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.231 -2.839 -10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 40 19.827 -4.470 -10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.577 -2.763 -11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 40 21.251 -3.750 -12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.421 -1.341 -12.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.938 -2.011 -13.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 20.024 -1.078 -11.996 1.00 0.00 H new ATOM 679 N GLY A 41 16.708 -2.802 -9.180 1.00 0.00 N ATOM 680 CA GLY A 41 17.143 -2.203 -7.932 1.00 0.00 C ATOM 681 C GLY A 41 17.077 -0.689 -7.964 1.00 0.00 C ATOM 682 O GLY A 41 18.075 -0.013 -7.710 1.00 0.00 O ATOM 0 H GLY A 41 16.213 -2.166 -9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.521 -2.574 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.166 -2.515 -7.719 1.00 0.00 H new ATOM 686 N VAL A 42 15.901 -0.155 -8.278 1.00 0.00 N ATOM 687 CA VAL A 42 15.710 1.290 -8.343 1.00 0.00 C ATOM 688 C VAL A 42 14.278 1.679 -7.989 1.00 0.00 C ATOM 689 O VAL A 42 13.318 1.102 -8.503 1.00 0.00 O ATOM 690 CB VAL A 42 16.042 1.841 -9.742 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.071 3.362 -9.724 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.368 1.281 -10.237 1.00 0.00 C ATOM 0 H VAL A 42 15.066 -0.701 -8.491 1.00 0.00 H new ATOM 0 HA VAL A 42 16.393 1.726 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 42 15.260 1.523 -10.432 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.307 3.733 -10.721 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.096 3.741 -9.417 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.831 3.703 -9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.585 1.682 -11.227 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.163 1.565 -9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.306 0.194 -10.291 1.00 0.00 H new ATOM 702 N PHE A 43 14.142 2.661 -7.107 1.00 0.00 N ATOM 703 CA PHE A 43 12.831 3.136 -6.681 1.00 0.00 C ATOM 704 C PHE A 43 12.140 3.904 -7.806 1.00 0.00 C ATOM 705 O PHE A 43 12.788 4.367 -8.745 1.00 0.00 O ATOM 706 CB PHE A 43 12.968 4.027 -5.441 1.00 0.00 C ATOM 707 CG PHE A 43 12.493 3.382 -4.167 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.527 2.004 -4.010 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.013 4.158 -3.124 1.00 0.00 C ATOM 710 CE1 PHE A 43 12.092 1.415 -2.840 1.00 0.00 C ATOM 711 CE2 PHE A 43 11.576 3.574 -1.951 1.00 0.00 C ATOM 712 CZ PHE A 43 11.616 2.201 -1.808 1.00 0.00 C ATOM 0 H PHE A 43 14.926 3.146 -6.671 1.00 0.00 H new ATOM 0 HA PHE A 43 12.219 2.270 -6.430 1.00 0.00 H new ATOM 0 HB2 PHE A 43 14.014 4.311 -5.324 1.00 0.00 H new ATOM 0 HB3 PHE A 43 12.405 4.946 -5.603 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.898 1.385 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.980 5.232 -3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.124 0.341 -2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.203 4.191 -1.146 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.276 1.742 -0.891 1.00 0.00 H new ATOM 722 N ASP A 44 10.823 4.035 -7.702 1.00 0.00 N ATOM 723 CA ASP A 44 10.035 4.741 -8.707 1.00 0.00 C ATOM 724 C ASP A 44 9.757 6.180 -8.276 1.00 0.00 C ATOM 725 O ASP A 44 8.746 6.460 -7.633 1.00 0.00 O ATOM 726 CB ASP A 44 8.717 4.004 -8.950 1.00 0.00 C ATOM 727 CG ASP A 44 8.140 4.286 -10.323 1.00 0.00 C ATOM 728 OD1 ASP A 44 8.607 3.667 -11.303 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.221 5.125 -10.419 1.00 0.00 O ATOM 0 H ASP A 44 10.275 3.660 -6.928 1.00 0.00 H new ATOM 0 HA ASP A 44 10.609 4.768 -9.633 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.878 2.932 -8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.994 4.297 -8.188 1.00 0.00 H new ATOM 734 N ASP A 45 10.662 7.085 -8.635 1.00 0.00 N ATOM 735 CA ASP A 45 10.520 8.496 -8.286 1.00 0.00 C ATOM 736 C ASP A 45 9.214 9.080 -8.823 1.00 0.00 C ATOM 737 O ASP A 45 8.740 10.106 -8.335 1.00 0.00 O ATOM 738 CB ASP A 45 11.706 9.296 -8.826 1.00 0.00 C ATOM 739 CG ASP A 45 13.030 8.815 -8.265 1.00 0.00 C ATOM 740 OD1 ASP A 45 13.189 7.590 -8.084 1.00 0.00 O ATOM 741 OD2 ASP A 45 13.909 9.665 -8.009 1.00 0.00 O ATOM 0 H ASP A 45 11.503 6.867 -9.169 1.00 0.00 H new ATOM 0 HA ASP A 45 10.499 8.566 -7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.726 9.221 -9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.572 10.350 -8.581 1.00 0.00 H new ATOM 746 N GLU A 46 8.639 8.431 -9.832 1.00 0.00 N ATOM 747 CA GLU A 46 7.391 8.902 -10.425 1.00 0.00 C ATOM 748 C GLU A 46 6.255 8.838 -9.410 1.00 0.00 C ATOM 749 O GLU A 46 5.637 9.855 -9.089 1.00 0.00 O ATOM 750 CB GLU A 46 7.040 8.069 -11.659 1.00 0.00 C ATOM 751 CG GLU A 46 5.849 8.605 -12.437 1.00 0.00 C ATOM 752 CD GLU A 46 5.482 7.728 -13.619 1.00 0.00 C ATOM 753 OE1 GLU A 46 5.954 6.572 -13.671 1.00 0.00 O ATOM 754 OE2 GLU A 46 4.720 8.197 -14.491 1.00 0.00 O ATOM 0 H GLU A 46 9.015 7.582 -10.254 1.00 0.00 H new ATOM 0 HA GLU A 46 7.528 9.940 -10.728 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.907 8.030 -12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.830 7.046 -11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.991 8.687 -11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.074 9.611 -12.792 1.00 0.00 H new ATOM 761 N LYS A 47 5.988 7.640 -8.904 1.00 0.00 N ATOM 762 CA LYS A 47 4.931 7.450 -7.919 1.00 0.00 C ATOM 763 C LYS A 47 5.337 8.055 -6.581 1.00 0.00 C ATOM 764 O LYS A 47 4.530 8.693 -5.906 1.00 0.00 O ATOM 765 CB LYS A 47 4.613 5.964 -7.748 1.00 0.00 C ATOM 766 CG LYS A 47 4.467 5.213 -9.063 1.00 0.00 C ATOM 767 CD LYS A 47 3.005 5.006 -9.426 1.00 0.00 C ATOM 768 CE LYS A 47 2.824 4.823 -10.924 1.00 0.00 C ATOM 769 NZ LYS A 47 3.208 6.045 -11.684 1.00 0.00 N ATOM 0 H LYS A 47 6.487 6.788 -9.159 1.00 0.00 H new ATOM 0 HA LYS A 47 4.036 7.957 -8.278 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.404 5.498 -7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.690 5.863 -7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.965 5.768 -9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.965 4.246 -8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.619 4.131 -8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.421 5.862 -9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.428 3.981 -11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.784 4.575 -11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.703 6.062 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.957 6.890 -11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.233 6.038 -11.858 1.00 0.00 H new ATOM 783 N ILE A 48 6.600 7.862 -6.210 1.00 0.00 N ATOM 784 CA ILE A 48 7.123 8.394 -4.957 1.00 0.00 C ATOM 785 C ILE A 48 6.828 9.886 -4.840 1.00 0.00 C ATOM 786 O ILE A 48 6.409 10.366 -3.787 1.00 0.00 O ATOM 787 CB ILE A 48 8.644 8.159 -4.843 1.00 0.00 C ATOM 788 CG1 ILE A 48 8.948 6.661 -4.816 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.209 8.838 -3.602 1.00 0.00 C ATOM 790 CD1 ILE A 48 10.365 6.325 -5.230 1.00 0.00 C ATOM 0 H ILE A 48 7.281 7.340 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 48 6.626 7.865 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 48 9.123 8.599 -5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.772 6.281 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.252 6.145 -5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.282 8.657 -3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.024 9.911 -3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.725 8.433 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.510 5.246 -5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.539 6.675 -6.247 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.067 6.812 -4.553 1.00 0.00 H new ATOM 802 N ALA A 49 7.045 10.611 -5.932 1.00 0.00 N ATOM 803 CA ALA A 49 6.798 12.047 -5.955 1.00 0.00 C ATOM 804 C ALA A 49 5.326 12.338 -5.689 1.00 0.00 C ATOM 805 O ALA A 49 4.982 13.075 -4.763 1.00 0.00 O ATOM 806 CB ALA A 49 7.223 12.637 -7.291 1.00 0.00 C ATOM 0 H ALA A 49 7.391 10.228 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 49 7.390 12.513 -5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.032 13.710 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.287 12.458 -7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.655 12.167 -8.094 1.00 0.00 H new ATOM 812 N GLU A 50 4.460 11.743 -6.502 1.00 0.00 N ATOM 813 CA GLU A 50 3.024 11.928 -6.352 1.00 0.00 C ATOM 814 C GLU A 50 2.567 11.434 -4.983 1.00 0.00 C ATOM 815 O GLU A 50 1.624 11.968 -4.401 1.00 0.00 O ATOM 816 CB GLU A 50 2.274 11.180 -7.460 1.00 0.00 C ATOM 817 CG GLU A 50 0.784 11.010 -7.196 1.00 0.00 C ATOM 818 CD GLU A 50 -0.072 11.450 -8.368 1.00 0.00 C ATOM 819 OE1 GLU A 50 0.427 11.417 -9.512 1.00 0.00 O ATOM 820 OE2 GLU A 50 -1.240 11.828 -8.141 1.00 0.00 O ATOM 0 H GLU A 50 4.729 11.129 -7.271 1.00 0.00 H new ATOM 0 HA GLU A 50 2.800 12.992 -6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.407 11.716 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.724 10.196 -7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.576 9.964 -6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.508 11.586 -6.313 1.00 0.00 H new ATOM 827 N LEU A 51 3.248 10.411 -4.473 1.00 0.00 N ATOM 828 CA LEU A 51 2.914 9.840 -3.179 1.00 0.00 C ATOM 829 C LEU A 51 2.952 10.922 -2.106 1.00 0.00 C ATOM 830 O LEU A 51 1.985 11.118 -1.371 1.00 0.00 O ATOM 831 CB LEU A 51 3.895 8.717 -2.840 1.00 0.00 C ATOM 832 CG LEU A 51 3.387 7.686 -1.837 1.00 0.00 C ATOM 833 CD1 LEU A 51 4.486 6.704 -1.478 1.00 0.00 C ATOM 834 CD2 LEU A 51 2.844 8.353 -0.590 1.00 0.00 C ATOM 0 H LEU A 51 4.036 9.962 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 51 1.906 9.426 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.163 8.201 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.809 9.162 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 51 2.570 7.138 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.104 5.977 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.820 6.187 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.325 7.242 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.490 7.592 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.633 8.937 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.018 9.011 -0.860 1.00 0.00 H new ATOM 846 N LEU A 52 4.073 11.639 -2.036 1.00 0.00 N ATOM 847 CA LEU A 52 4.239 12.713 -1.074 1.00 0.00 C ATOM 848 C LEU A 52 3.086 13.701 -1.166 1.00 0.00 C ATOM 849 O LEU A 52 2.478 14.064 -0.157 1.00 0.00 O ATOM 850 CB LEU A 52 5.554 13.411 -1.346 1.00 0.00 C ATOM 851 CG LEU A 52 6.719 12.462 -1.622 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.998 13.125 -1.230 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.561 11.150 -0.860 1.00 0.00 C ATOM 0 H LEU A 52 4.881 11.489 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 52 4.243 12.299 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.430 14.075 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.805 14.037 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 52 6.730 12.230 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.832 12.451 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.127 14.039 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.970 13.370 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.407 10.498 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.527 11.353 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.637 10.660 -1.166 1.00 0.00 H new ATOM 865 N THR A 53 2.780 14.121 -2.389 1.00 0.00 N ATOM 866 CA THR A 53 1.690 15.056 -2.625 1.00 0.00 C ATOM 867 C THR A 53 0.363 14.442 -2.191 1.00 0.00 C ATOM 868 O THR A 53 -0.449 15.091 -1.532 1.00 0.00 O ATOM 869 CB THR A 53 1.628 15.443 -4.104 1.00 0.00 C ATOM 870 OG1 THR A 53 2.892 15.898 -4.556 1.00 0.00 O ATOM 871 CG2 THR A 53 0.617 16.530 -4.398 1.00 0.00 C ATOM 0 H THR A 53 3.273 13.827 -3.232 1.00 0.00 H new ATOM 0 HA THR A 53 1.873 15.954 -2.035 1.00 0.00 H new ATOM 0 HB THR A 53 1.323 14.536 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.833 16.139 -5.504 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.625 16.756 -5.464 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.377 16.191 -4.106 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.874 17.428 -3.835 1.00 0.00 H new ATOM 879 N LYS A 54 0.158 13.179 -2.557 1.00 0.00 N ATOM 880 CA LYS A 54 -1.063 12.468 -2.200 1.00 0.00 C ATOM 881 C LYS A 54 -1.221 12.403 -0.685 1.00 0.00 C ATOM 882 O LYS A 54 -2.324 12.542 -0.158 1.00 0.00 O ATOM 883 CB LYS A 54 -1.048 11.054 -2.787 1.00 0.00 C ATOM 884 CG LYS A 54 -1.724 10.952 -4.143 1.00 0.00 C ATOM 885 CD LYS A 54 -3.199 10.608 -4.006 1.00 0.00 C ATOM 886 CE LYS A 54 -3.412 9.108 -3.873 1.00 0.00 C ATOM 887 NZ LYS A 54 -3.850 8.494 -5.156 1.00 0.00 N ATOM 0 H LYS A 54 0.823 12.628 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.910 13.013 -2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.015 10.719 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.543 10.376 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.618 11.897 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.226 10.190 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.612 11.114 -3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.742 10.978 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.486 8.638 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.160 8.914 -3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.984 7.471 -5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.747 8.925 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.125 8.656 -5.884 1.00 0.00 H new ATOM 901 N LEU A 55 -0.106 12.197 0.012 1.00 0.00 N ATOM 902 CA LEU A 55 -0.117 12.122 1.467 1.00 0.00 C ATOM 903 C LEU A 55 -0.649 13.424 2.061 1.00 0.00 C ATOM 904 O LEU A 55 -1.589 13.423 2.856 1.00 0.00 O ATOM 905 CB LEU A 55 1.295 11.856 1.999 1.00 0.00 C ATOM 906 CG LEU A 55 1.859 10.450 1.741 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.589 9.942 2.971 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.759 9.474 1.346 1.00 0.00 C ATOM 0 H LEU A 55 0.815 12.079 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.770 11.301 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.973 12.585 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.296 12.035 3.074 1.00 0.00 H new ATOM 0 HG LEU A 55 2.562 10.520 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.983 8.945 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.411 10.617 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.898 9.899 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.192 8.489 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.024 9.410 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.272 9.823 0.436 1.00 0.00 H new ATOM 920 N GLY A 56 -0.034 14.531 1.659 1.00 0.00 N ATOM 921 CA GLY A 56 -0.439 15.837 2.145 1.00 0.00 C ATOM 922 C GLY A 56 0.462 16.937 1.619 1.00 0.00 C ATOM 923 O GLY A 56 0.427 17.261 0.432 1.00 0.00 O ATOM 0 H GLY A 56 0.744 14.546 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.468 16.034 1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.420 15.841 3.235 1.00 0.00 H new ATOM 927 N ARG A 57 1.278 17.506 2.499 1.00 0.00 N ATOM 928 CA ARG A 57 2.203 18.565 2.111 1.00 0.00 C ATOM 929 C ARG A 57 3.447 18.547 2.989 1.00 0.00 C ATOM 930 O ARG A 57 4.104 19.569 3.180 1.00 0.00 O ATOM 931 CB ARG A 57 1.521 19.931 2.189 1.00 0.00 C ATOM 932 CG ARG A 57 0.335 20.071 1.249 1.00 0.00 C ATOM 933 CD ARG A 57 -0.131 21.515 1.145 1.00 0.00 C ATOM 934 NE ARG A 57 0.063 22.058 -0.198 1.00 0.00 N ATOM 935 CZ ARG A 57 -0.581 21.617 -1.275 1.00 0.00 C ATOM 936 NH1 ARG A 57 -1.460 20.628 -1.173 1.00 0.00 N ATOM 937 NH2 ARG A 57 -0.347 22.168 -2.459 1.00 0.00 N ATOM 0 H ARG A 57 1.318 17.252 3.486 1.00 0.00 H new ATOM 0 HA ARG A 57 2.507 18.385 1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.186 20.103 3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.251 20.707 1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.609 19.705 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.486 19.448 1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.186 21.575 1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.415 22.125 1.865 1.00 0.00 H new ATOM 0 HE ARG A 57 0.731 22.820 -0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.645 20.202 -0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.951 20.294 -2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.327 22.929 -2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.841 21.830 -3.285 1.00 0.00 H new ATOM 951 N ASP A 58 3.760 17.372 3.515 1.00 0.00 N ATOM 952 CA ASP A 58 4.921 17.193 4.372 1.00 0.00 C ATOM 953 C ASP A 58 5.860 16.142 3.779 1.00 0.00 C ATOM 954 O ASP A 58 5.916 15.962 2.562 1.00 0.00 O ATOM 955 CB ASP A 58 4.473 16.788 5.782 1.00 0.00 C ATOM 956 CG ASP A 58 3.300 17.614 6.277 1.00 0.00 C ATOM 957 OD1 ASP A 58 3.470 18.838 6.458 1.00 0.00 O ATOM 958 OD2 ASP A 58 2.212 17.035 6.485 1.00 0.00 O ATOM 0 H ASP A 58 3.219 16.521 3.361 1.00 0.00 H new ATOM 0 HA ASP A 58 5.463 18.136 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.197 15.733 5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.309 16.900 6.472 1.00 0.00 H new ATOM 963 N THR A 59 6.590 15.448 4.643 1.00 0.00 N ATOM 964 CA THR A 59 7.519 14.410 4.211 1.00 0.00 C ATOM 965 C THR A 59 7.150 13.067 4.833 1.00 0.00 C ATOM 966 O THR A 59 6.307 12.999 5.727 1.00 0.00 O ATOM 967 CB THR A 59 8.952 14.790 4.590 1.00 0.00 C ATOM 968 OG1 THR A 59 9.863 13.783 4.185 1.00 0.00 O ATOM 969 CG2 THR A 59 9.138 15.013 6.076 1.00 0.00 C ATOM 0 H THR A 59 6.556 15.586 5.653 1.00 0.00 H new ATOM 0 HA THR A 59 7.453 14.319 3.127 1.00 0.00 H new ATOM 0 HB THR A 59 9.149 15.729 4.072 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.773 14.046 4.435 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.176 15.279 6.277 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.485 15.821 6.407 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.887 14.100 6.615 1.00 0.00 H new ATOM 977 N GLN A 60 7.792 12.003 4.367 1.00 0.00 N ATOM 978 CA GLN A 60 7.532 10.669 4.887 1.00 0.00 C ATOM 979 C GLN A 60 8.321 10.438 6.166 1.00 0.00 C ATOM 980 O GLN A 60 9.506 10.106 6.134 1.00 0.00 O ATOM 981 CB GLN A 60 7.895 9.606 3.852 1.00 0.00 C ATOM 982 CG GLN A 60 9.252 9.824 3.198 1.00 0.00 C ATOM 983 CD GLN A 60 9.815 8.555 2.591 1.00 0.00 C ATOM 984 OE1 GLN A 60 10.343 7.696 3.297 1.00 0.00 O ATOM 985 NE2 GLN A 60 9.705 8.430 1.273 1.00 0.00 N ATOM 0 H GLN A 60 8.496 12.039 3.630 1.00 0.00 H new ATOM 0 HA GLN A 60 6.467 10.591 5.108 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.886 8.627 4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.128 9.589 3.078 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.160 10.584 2.422 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.951 10.209 3.940 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.260 9.167 0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.066 7.597 0.808 1.00 0.00 H new ATOM 994 N ILE A 61 7.646 10.615 7.287 1.00 0.00 N ATOM 995 CA ILE A 61 8.259 10.435 8.596 1.00 0.00 C ATOM 996 C ILE A 61 8.327 8.956 8.966 1.00 0.00 C ATOM 997 O ILE A 61 7.429 8.419 9.615 1.00 0.00 O ATOM 998 CB ILE A 61 7.492 11.222 9.685 1.00 0.00 C ATOM 999 CG1 ILE A 61 8.261 11.202 11.014 1.00 0.00 C ATOM 1000 CG2 ILE A 61 6.076 10.681 9.857 1.00 0.00 C ATOM 1001 CD1 ILE A 61 8.213 9.876 11.747 1.00 0.00 C ATOM 0 H ILE A 61 6.663 10.886 7.319 1.00 0.00 H new ATOM 0 HA ILE A 61 9.274 10.827 8.540 1.00 0.00 H new ATOM 0 HB ILE A 61 7.411 12.259 9.360 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.303 11.459 10.821 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.857 11.978 11.665 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.559 11.252 10.628 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.535 10.771 8.915 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.120 9.632 10.151 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.782 9.952 12.674 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.178 9.624 11.976 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.645 9.097 11.119 1.00 0.00 H new ATOM 1013 N GLY A 62 9.401 8.301 8.543 1.00 0.00 N ATOM 1014 CA GLY A 62 9.574 6.891 8.833 1.00 0.00 C ATOM 1015 C GLY A 62 8.415 6.050 8.334 1.00 0.00 C ATOM 1016 O GLY A 62 8.117 4.996 8.897 1.00 0.00 O ATOM 0 H GLY A 62 10.157 8.722 8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.498 6.540 8.374 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.681 6.755 9.909 1.00 0.00 H new ATOM 1020 N LEU A 63 7.757 6.519 7.278 1.00 0.00 N ATOM 1021 CA LEU A 63 6.624 5.802 6.703 1.00 0.00 C ATOM 1022 C LEU A 63 6.996 4.355 6.392 1.00 0.00 C ATOM 1023 O LEU A 63 8.121 4.066 5.986 1.00 0.00 O ATOM 1024 CB LEU A 63 6.140 6.506 5.431 1.00 0.00 C ATOM 1025 CG LEU A 63 4.639 6.795 5.384 1.00 0.00 C ATOM 1026 CD1 LEU A 63 3.842 5.522 5.621 1.00 0.00 C ATOM 1027 CD2 LEU A 63 4.269 7.856 6.410 1.00 0.00 C ATOM 0 H LEU A 63 7.989 7.392 6.804 1.00 0.00 H new ATOM 0 HA LEU A 63 5.817 5.799 7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.679 7.447 5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.404 5.891 4.571 1.00 0.00 H new ATOM 0 HG LEU A 63 4.392 7.174 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.776 5.748 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.085 4.791 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.092 5.113 6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.197 8.050 6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.531 7.504 7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.813 8.775 6.195 1.00 0.00 H new ATOM 1039 N THR A 64 6.045 3.450 6.592 1.00 0.00 N ATOM 1040 CA THR A 64 6.278 2.033 6.339 1.00 0.00 C ATOM 1041 C THR A 64 5.468 1.543 5.144 1.00 0.00 C ATOM 1042 O THR A 64 4.460 2.142 4.769 1.00 0.00 O ATOM 1043 CB THR A 64 5.928 1.210 7.579 1.00 0.00 C ATOM 1044 OG1 THR A 64 4.700 1.642 8.138 1.00 0.00 O ATOM 1045 CG2 THR A 64 6.979 1.286 8.665 1.00 0.00 C ATOM 0 H THR A 64 5.108 3.671 6.928 1.00 0.00 H new ATOM 0 HA THR A 64 7.335 1.904 6.108 1.00 0.00 H new ATOM 0 HB THR A 64 5.863 0.179 7.231 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.493 1.102 8.929 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.668 0.680 9.516 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.928 0.912 8.280 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.100 2.322 8.983 1.00 0.00 H new ATOM 1053 N MET A 65 5.919 0.442 4.553 1.00 0.00 N ATOM 1054 CA MET A 65 5.243 -0.143 3.406 1.00 0.00 C ATOM 1055 C MET A 65 4.684 -1.517 3.756 1.00 0.00 C ATOM 1056 O MET A 65 5.202 -2.197 4.641 1.00 0.00 O ATOM 1057 CB MET A 65 6.209 -0.254 2.223 1.00 0.00 C ATOM 1058 CG MET A 65 6.838 1.072 1.825 1.00 0.00 C ATOM 1059 SD MET A 65 8.588 1.169 2.251 1.00 0.00 S ATOM 1060 CE MET A 65 8.497 1.850 3.905 1.00 0.00 C ATOM 0 H MET A 65 6.753 -0.063 4.852 1.00 0.00 H new ATOM 0 HA MET A 65 4.414 0.507 3.126 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.000 -0.961 2.475 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.675 -0.665 1.366 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.721 1.217 0.751 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.303 1.885 2.316 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.379 2.461 4.096 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.602 2.465 3.996 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.455 1.038 4.631 1.00 0.00 H new ATOM 1070 N PRO A 66 3.611 -1.946 3.070 1.00 0.00 N ATOM 1071 CA PRO A 66 2.956 -1.178 2.009 1.00 0.00 C ATOM 1072 C PRO A 66 1.998 -0.119 2.550 1.00 0.00 C ATOM 1073 O PRO A 66 1.477 -0.243 3.658 1.00 0.00 O ATOM 1074 CB PRO A 66 2.174 -2.245 1.222 1.00 0.00 C ATOM 1075 CG PRO A 66 2.494 -3.554 1.873 1.00 0.00 C ATOM 1076 CD PRO A 66 2.946 -3.231 3.266 1.00 0.00 C ATOM 0 HA PRO A 66 3.681 -0.626 1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.103 -2.045 1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.468 -2.249 0.172 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.620 -4.205 1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.274 -4.081 1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.110 -3.157 3.961 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.624 -3.987 3.662 1.00 0.00 H new ATOM 1084 N GLN A 67 1.750 0.912 1.745 1.00 0.00 N ATOM 1085 CA GLN A 67 0.837 1.981 2.124 1.00 0.00 C ATOM 1086 C GLN A 67 -0.387 1.951 1.221 1.00 0.00 C ATOM 1087 O GLN A 67 -0.282 2.136 0.010 1.00 0.00 O ATOM 1088 CB GLN A 67 1.531 3.344 2.035 1.00 0.00 C ATOM 1089 CG GLN A 67 2.964 3.335 2.547 1.00 0.00 C ATOM 1090 CD GLN A 67 3.969 3.743 1.487 1.00 0.00 C ATOM 1091 OE1 GLN A 67 4.302 5.028 1.450 1.00 0.00 O flip ATOM 1092 NE2 GLN A 67 4.442 2.913 0.711 1.00 0.00 N flip ATOM 0 H GLN A 67 2.172 1.027 0.823 1.00 0.00 H new ATOM 0 HA GLN A 67 0.525 1.827 3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.527 3.677 0.997 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.955 4.073 2.605 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.045 4.011 3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.210 2.337 2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.158 1.935 0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.118 3.203 0.004 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.545 1.687 1.805 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.775 1.604 1.032 1.00 0.00 C ATOM 1103 C VAL A 68 -3.440 2.969 0.877 1.00 0.00 C ATOM 1104 O VAL A 68 -3.119 3.917 1.595 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.776 0.614 1.664 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.789 0.147 0.631 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -3.048 -0.575 2.278 1.00 0.00 C ATOM 0 H VAL A 68 -1.660 1.527 2.806 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.494 1.239 0.044 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.310 1.132 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.487 -0.550 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.338 1.006 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.270 -0.350 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.774 -1.259 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.482 -1.094 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.366 -0.224 3.052 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.371 3.055 -0.068 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.087 4.297 -0.336 1.00 0.00 C ATOM 1119 C PHE A 69 -6.547 4.011 -0.671 1.00 0.00 C ATOM 1120 O PHE A 69 -6.856 3.042 -1.366 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.433 5.037 -1.504 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.203 5.803 -1.119 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.299 7.112 -0.682 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -1.951 5.216 -1.198 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.169 7.823 -0.329 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.816 5.923 -0.848 1.00 0.00 C ATOM 1127 CZ PHE A 69 -0.925 7.229 -0.412 1.00 0.00 C ATOM 0 H PHE A 69 -4.648 2.275 -0.664 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.044 4.918 0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.174 4.316 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.158 5.725 -1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.269 7.583 -0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.861 4.195 -1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.258 8.844 0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.155 5.455 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.040 7.784 -0.137 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.443 4.857 -0.170 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.874 4.690 -0.413 1.00 0.00 C ATOM 1139 C ALA A 70 -9.174 4.579 -1.909 1.00 0.00 C ATOM 1140 O ALA A 70 -8.691 5.384 -2.706 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.648 5.848 0.196 1.00 0.00 C ATOM 0 H ALA A 70 -7.205 5.664 0.406 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.191 3.761 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.713 5.712 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.470 5.879 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.317 6.784 -0.254 1.00 0.00 H new ATOM 1147 N PRO A 71 -9.993 3.587 -2.310 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.363 3.387 -3.716 1.00 0.00 C ATOM 1149 C PRO A 71 -10.927 4.654 -4.347 1.00 0.00 C ATOM 1150 O PRO A 71 -10.903 4.818 -5.567 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.426 2.291 -3.666 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.234 1.600 -2.358 1.00 0.00 C ATOM 1153 CD PRO A 71 -10.634 2.605 -1.419 1.00 0.00 C ATOM 0 HA PRO A 71 -9.500 3.122 -4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.428 2.714 -3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.310 1.595 -4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.185 1.231 -1.973 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.578 0.736 -2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.395 3.071 -0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.910 2.142 -0.748 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.427 5.552 -3.505 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.991 6.811 -3.970 1.00 0.00 C ATOM 1163 C ASP A 72 -12.050 7.820 -2.827 1.00 0.00 C ATOM 1164 O ASP A 72 -13.022 8.561 -2.690 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.385 6.585 -4.554 1.00 0.00 C ATOM 1166 CG ASP A 72 -13.474 6.992 -6.012 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -13.133 8.151 -6.328 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -13.884 6.150 -6.839 1.00 0.00 O ATOM 0 H ASP A 72 -11.452 5.429 -2.493 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.348 7.212 -4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.650 5.532 -4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.114 7.152 -3.976 1.00 0.00 H new ATOM 1173 N GLY A 73 -11.006 7.832 -2.002 1.00 0.00 N ATOM 1174 CA GLY A 73 -10.964 8.753 -0.878 1.00 0.00 C ATOM 1175 C GLY A 73 -9.571 9.274 -0.592 1.00 0.00 C ATOM 1176 O GLY A 73 -9.027 10.066 -1.362 1.00 0.00 O ATOM 0 H GLY A 73 -10.192 7.224 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.626 9.595 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.348 8.251 0.010 1.00 0.00 H new ATOM 1180 N SER A 74 -8.997 8.836 0.525 1.00 0.00 N ATOM 1181 CA SER A 74 -7.659 9.270 0.921 1.00 0.00 C ATOM 1182 C SER A 74 -6.845 8.109 1.476 1.00 0.00 C ATOM 1183 O SER A 74 -7.331 6.981 1.574 1.00 0.00 O ATOM 1184 CB SER A 74 -7.752 10.385 1.964 1.00 0.00 C ATOM 1185 OG SER A 74 -8.409 9.934 3.136 1.00 0.00 O ATOM 0 H SER A 74 -9.436 8.181 1.172 1.00 0.00 H new ATOM 0 HA SER A 74 -7.153 9.649 0.033 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.751 10.735 2.216 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.291 11.235 1.545 1.00 0.00 H new ATOM 0 HG SER A 74 -8.454 10.665 3.788 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.601 8.399 1.833 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.696 7.396 2.379 1.00 0.00 C ATOM 1193 C HIS A 75 -5.301 6.722 3.607 1.00 0.00 C ATOM 1194 O HIS A 75 -5.715 7.391 4.552 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.366 8.052 2.746 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.337 7.093 3.259 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.819 7.133 4.534 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.720 6.058 2.635 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.921 6.143 4.643 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.825 5.460 3.518 1.00 0.00 N ATOM 0 H HIS A 75 -5.192 9.330 1.753 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.530 6.631 1.621 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.968 8.560 1.868 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.546 8.816 3.503 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -2.073 7.797 5.265 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.895 5.748 1.616 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.351 5.932 5.535 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.342 5.393 3.589 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.891 4.633 4.707 1.00 0.00 C ATOM 1210 C ILE A 76 -4.782 4.177 5.645 1.00 0.00 C ATOM 1211 O ILE A 76 -4.900 4.285 6.866 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.677 3.397 4.220 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.830 3.822 3.310 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -7.199 2.591 5.403 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -8.129 2.824 2.214 1.00 0.00 C ATOM 0 H ILE A 76 -5.003 4.822 2.815 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.573 5.296 5.240 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.000 2.763 3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.726 3.966 3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.591 4.785 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.750 1.724 5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.360 2.257 6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.860 3.214 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.957 3.188 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.247 2.697 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.399 1.866 2.658 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.704 3.664 5.065 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.586 3.197 5.859 1.00 0.00 C ATOM 1229 C GLY A 77 -2.083 1.842 5.409 1.00 0.00 C ATOM 1230 O GLY A 77 -2.310 1.436 4.270 1.00 0.00 O ATOM 0 H GLY A 77 -3.585 3.563 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.774 3.921 5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.886 3.141 6.905 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.393 1.144 6.302 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.862 -0.166 5.971 1.00 0.00 C ATOM 1236 C GLY A 78 -1.825 -1.289 6.305 1.00 0.00 C ATOM 1237 O GLY A 78 -3.034 -1.157 6.115 1.00 0.00 O ATOM 0 H GLY A 78 -1.191 1.461 7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.626 -0.200 4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.072 -0.322 6.510 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.286 -2.397 6.804 1.00 0.00 N ATOM 1242 CA PHE A 79 -2.101 -3.550 7.165 1.00 0.00 C ATOM 1243 C PHE A 79 -2.928 -3.260 8.414 1.00 0.00 C ATOM 1244 O PHE A 79 -4.158 -3.286 8.374 1.00 0.00 O ATOM 1245 CB PHE A 79 -1.208 -4.773 7.395 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.951 -6.000 7.845 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -3.131 -6.386 7.227 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.462 -6.771 8.889 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.809 -7.517 7.644 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.136 -7.901 9.309 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.310 -8.275 8.686 1.00 0.00 C ATOM 0 H PHE A 79 -0.287 -2.520 6.967 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.785 -3.758 6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.678 -5.001 6.470 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.454 -4.524 8.142 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.525 -5.797 6.412 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.543 -6.484 9.379 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.727 -7.807 7.156 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.745 -8.492 10.124 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.838 -9.159 9.013 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.246 -2.981 9.520 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.920 -2.683 10.780 1.00 0.00 C ATOM 1263 C ASP A 80 -3.876 -1.506 10.619 1.00 0.00 C ATOM 1264 O ASP A 80 -5.032 -1.569 11.038 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.894 -2.375 11.872 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.539 -2.150 13.225 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -2.981 -3.141 13.844 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.604 -0.983 13.666 1.00 0.00 O ATOM 0 H ASP A 80 -1.228 -2.955 9.570 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.497 -3.561 11.071 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.185 -3.200 11.943 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.325 -1.489 11.592 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.383 -0.431 10.009 1.00 0.00 N ATOM 1274 CA GLN A 81 -4.193 0.762 9.790 1.00 0.00 C ATOM 1275 C GLN A 81 -5.451 0.424 9.001 1.00 0.00 C ATOM 1276 O GLN A 81 -6.549 0.861 9.346 1.00 0.00 O ATOM 1277 CB GLN A 81 -3.383 1.822 9.041 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.301 2.471 9.885 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.036 1.636 9.957 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.358 1.429 8.951 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -0.713 1.153 11.151 1.00 0.00 N ATOM 0 H GLN A 81 -2.428 -0.363 9.658 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.487 1.156 10.763 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.923 1.364 8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.060 2.595 8.677 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.062 3.451 9.471 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.681 2.635 10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.305 1.350 11.958 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.127 0.585 11.261 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.283 -0.355 7.939 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.407 -0.751 7.104 1.00 0.00 C ATOM 1292 C LEU A 82 -7.367 -1.656 7.859 1.00 0.00 C ATOM 1293 O LEU A 82 -8.583 -1.491 7.764 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.929 -1.430 5.837 1.00 0.00 C ATOM 1295 CG LEU A 82 -7.026 -1.583 4.794 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.691 -0.830 3.522 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.267 -3.042 4.517 1.00 0.00 C ATOM 0 H LEU A 82 -4.381 -0.723 7.637 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.944 0.157 6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.108 -0.854 5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.533 -2.414 6.086 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.943 -1.146 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.496 -0.961 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.574 0.230 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.762 -1.217 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.054 -3.145 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.350 -3.498 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.573 -3.541 5.436 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.831 -2.594 8.634 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.674 -3.491 9.419 1.00 0.00 C ATOM 1311 C ARG A 83 -8.663 -2.667 10.234 1.00 0.00 C ATOM 1312 O ARG A 83 -9.794 -3.089 10.477 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.821 -4.363 10.342 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.635 -5.302 11.218 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.822 -6.515 11.640 1.00 0.00 C ATOM 1316 NE ARG A 83 -7.521 -7.322 12.637 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.962 -8.336 13.294 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.697 -8.668 13.064 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -7.667 -9.018 14.185 1.00 0.00 N ATOM 0 H ARG A 83 -5.828 -2.752 8.735 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.220 -4.149 8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.131 -4.951 9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.216 -3.719 10.979 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.980 -4.768 12.103 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.523 -5.628 10.677 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.604 -7.128 10.765 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.865 -6.187 12.045 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.494 -7.095 12.842 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.149 -8.145 12.381 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.274 -9.446 13.570 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.638 -8.766 14.368 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.238 -9.795 14.688 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.230 -1.470 10.626 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.080 -0.563 11.379 1.00 0.00 C ATOM 1335 C GLU A 84 -10.154 -0.005 10.456 1.00 0.00 C ATOM 1336 O GLU A 84 -11.301 0.188 10.858 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.254 0.575 11.985 1.00 0.00 C ATOM 1338 CG GLU A 84 -7.908 0.360 13.451 1.00 0.00 C ATOM 1339 CD GLU A 84 -9.078 0.641 14.373 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -10.223 0.707 13.878 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -8.849 0.795 15.591 1.00 0.00 O ATOM 0 H GLU A 84 -7.295 -1.110 10.433 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.550 -1.108 12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.332 0.687 11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.807 1.509 11.884 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.575 -0.668 13.595 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.073 1.006 13.722 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.772 0.222 9.199 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.700 0.720 8.198 1.00 0.00 C ATOM 1350 C TYR A 85 -11.802 -0.310 7.981 1.00 0.00 C ATOM 1351 O TYR A 85 -12.958 0.034 7.736 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.953 0.983 6.888 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.758 1.737 5.853 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.738 1.098 5.107 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.529 3.086 5.618 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.470 1.783 4.156 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -11.254 3.778 4.669 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.224 3.122 3.940 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.949 3.807 2.993 1.00 0.00 O ATOM 0 H TYR A 85 -8.824 0.067 8.855 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.145 1.655 8.539 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.046 1.547 7.107 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.640 0.029 6.464 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.932 0.048 5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.771 3.603 6.187 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.231 1.272 3.585 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.063 4.827 4.498 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.653 4.741 2.967 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.423 -1.581 8.099 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.353 -2.694 7.934 1.00 0.00 C ATOM 1371 C PHE A 86 -13.037 -3.040 9.254 1.00 0.00 C ATOM 1372 O PHE A 86 -14.156 -3.553 9.268 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.605 -3.919 7.391 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.405 -3.886 5.901 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.430 -3.488 5.056 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.186 -4.237 5.346 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.241 -3.442 3.690 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.991 -4.190 3.980 1.00 0.00 C ATOM 1379 CZ PHE A 86 -11.020 -3.792 3.151 1.00 0.00 C ATOM 0 H PHE A 86 -10.467 -1.867 8.311 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.123 -2.395 7.223 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.633 -3.987 7.879 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.158 -4.820 7.656 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.387 -3.211 5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.378 -4.551 5.990 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.048 -3.132 3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.034 -4.464 3.561 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.870 -3.755 2.082 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.361 -2.754 10.363 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.908 -3.036 11.686 1.00 0.00 C ATOM 1391 C LYS A 87 -12.114 -2.314 12.770 1.00 0.00 C ATOM 1392 O LYS A 87 -10.942 -2.685 12.989 1.00 0.00 O ATOM 1393 CB LYS A 87 -12.906 -4.542 11.954 1.00 0.00 C ATOM 1394 CG LYS A 87 -11.607 -5.228 11.567 1.00 0.00 C ATOM 1395 CD LYS A 87 -11.439 -6.553 12.295 1.00 0.00 C ATOM 1396 CE LYS A 87 -11.822 -7.728 11.411 1.00 0.00 C ATOM 1397 NZ LYS A 87 -10.630 -8.379 10.801 1.00 0.00 N ATOM 1398 OXT LYS A 87 -12.670 -1.382 13.388 1.00 0.00 O ATOM 0 H LYS A 87 -11.434 -2.328 10.372 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.935 -2.672 11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.096 -4.714 13.013 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.727 -5.001 11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.591 -5.398 10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.766 -4.575 11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.404 -6.662 12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.056 -6.556 13.193 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.373 -8.461 12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.491 -7.385 10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.936 -9.175 10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.117 -7.687 10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.003 -8.730 11.553 1.00 0.00 H new TER 1412 LYS A 87